smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000009049187 1080675203 /nfs/dbraw/zinc/67/52/03/1080675203.db2.gz UPXWZWORAYPKOY-UHFFFAOYSA-N 0 0 401.441 0.909 20 5 HCBDRN NS(=O)(=O)c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000010386825 1080894670 /nfs/dbraw/zinc/89/46/70/1080894670.db2.gz YRTIOVBUYRJFCR-UHFFFAOYSA-N 0 0 404.360 0.477 20 5 HCBDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000010452340 1080898468 /nfs/dbraw/zinc/89/84/68/1080898468.db2.gz VPFPDLVLZZDUMJ-UHFFFAOYSA-N 0 0 420.447 0.598 20 5 HCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000010452518 1080898476 /nfs/dbraw/zinc/89/84/76/1080898476.db2.gz NWLADQDXVYOTRJ-UHFFFAOYSA-N 0 0 422.419 0.416 20 5 HCBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000011321968 1081006203 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PLQORJPYECRMGJ-UHFFFAOYSA-N 0 0 407.451 0.791 20 5 HCBDRN NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000327025552 1080284020 /nfs/dbraw/zinc/28/40/20/1080284020.db2.gz PZUJYYHLCJQCPQ-SECBINFHSA-N 0 0 412.877 0.442 20 5 HCBDRN NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000327025554 1080283766 /nfs/dbraw/zinc/28/37/66/1080283766.db2.gz PZUJYYHLCJQCPQ-VIFPVBQESA-N 0 0 412.877 0.442 20 5 HCBDRN NC(=O)NC(=O)C1CCC(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000426772607 1081066284 /nfs/dbraw/zinc/06/62/84/1081066284.db2.gz KTUZVZLLOMQFJI-UHFFFAOYSA-N 0 0 406.395 0.778 20 5 HCBDRN COCC[C@@H]1COCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000428652851 1081144566 /nfs/dbraw/zinc/14/45/66/1081144566.db2.gz UFLWOBFTKURDNK-GFCCVEGCSA-N 0 0 416.456 0.308 20 5 HCBDRN COCC[C@H]1COCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000428652852 1081144539 /nfs/dbraw/zinc/14/45/39/1081144539.db2.gz UFLWOBFTKURDNK-LBPRGKRZSA-N 0 0 416.456 0.308 20 5 HCBDRN 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COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000428874396 1081298221 /nfs/dbraw/zinc/29/82/21/1081298221.db2.gz ZRSPGSLZNHYVGK-SNVBAGLBSA-N 0 0 406.438 0.579 20 5 HCBDRN C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1(=O)=O ZINC000428878259 1081300850 /nfs/dbraw/zinc/30/08/50/1081300850.db2.gz DJDRZTKFTLUSET-JTQLQIEISA-N 0 0 406.438 0.564 20 5 HCBDRN C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1(=O)=O ZINC000428878261 1081300871 /nfs/dbraw/zinc/30/08/71/1081300871.db2.gz DJDRZTKFTLUSET-SNVBAGLBSA-N 0 0 406.438 0.564 20 5 HCBDRN O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000428881734 1081308571 /nfs/dbraw/zinc/30/85/71/1081308571.db2.gz PMBUVHUNDNFVKQ-DHMWGJHJSA-N 0 0 413.452 0.138 20 5 HCBDRN O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000428881735 1081308690 /nfs/dbraw/zinc/30/86/90/1081308690.db2.gz PMBUVHUNDNFVKQ-JURCDPSOSA-N 0 0 413.452 0.138 20 5 HCBDRN 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C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000428967317 1081355689 /nfs/dbraw/zinc/35/56/89/1081355689.db2.gz MOTVQCRSKHVOGH-GFCCVEGCSA-N 0 0 419.481 0.587 20 5 HCBDRN C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000428967319 1081355743 /nfs/dbraw/zinc/35/57/43/1081355743.db2.gz MOTVQCRSKHVOGH-LBPRGKRZSA-N 0 0 419.481 0.587 20 5 HCBDRN CC(C)NS(=O)(=O)NCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428984538 1081360991 /nfs/dbraw/zinc/36/09/91/1081360991.db2.gz XPOXRAMRUWRKSI-UHFFFAOYSA-N 0 0 407.880 0.922 20 5 HCBDRN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000429162475 1081166376 /nfs/dbraw/zinc/16/63/76/1081166376.db2.gz XYQJRIVQDZQVLT-UHFFFAOYSA-N 0 0 414.488 0.259 20 5 HCBDRN COC(=O)[C@@H](CO)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000429479982 1074619088 /nfs/dbraw/zinc/61/90/88/1074619088.db2.gz DHQWLLRRUNAABK-LLVKDONJSA-N 0 0 411.392 0.903 20 5 HCBDRN COC(=O)[C@H](CO)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000429479985 1074619033 /nfs/dbraw/zinc/61/90/33/1074619033.db2.gz DHQWLLRRUNAABK-NSHDSACASA-N 0 0 411.392 0.903 20 5 HCBDRN CC(C)N1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000429482630 1074619666 /nfs/dbraw/zinc/61/96/66/1074619666.db2.gz HVPDFDDUMJARAR-GFCCVEGCSA-N 0 0 413.456 0.182 20 5 HCBDRN CC(C)N1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000429482631 1074619753 /nfs/dbraw/zinc/61/97/53/1074619753.db2.gz HVPDFDDUMJARAR-LBPRGKRZSA-N 0 0 413.456 0.182 20 5 HCBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 ZINC000429774605 1074684802 /nfs/dbraw/zinc/68/48/02/1074684802.db2.gz NDOFIWKAGXCISG-AWEZNQCLSA-N 0 0 411.440 0.064 20 5 HCBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 ZINC000429774607 1074685363 /nfs/dbraw/zinc/68/53/63/1074685363.db2.gz NDOFIWKAGXCISG-CQSZACIVSA-N 0 0 411.440 0.064 20 5 HCBDRN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000429776057 1074685326 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ZINC000462871547 1075538651 /nfs/dbraw/zinc/53/86/51/1075538651.db2.gz ADHJMJPGQRYXQV-UHFFFAOYSA-N 0 0 412.428 0.206 20 5 HCBDRN COC[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 ZINC000462877204 1075546241 /nfs/dbraw/zinc/54/62/41/1075546241.db2.gz GVLYQLPGKPUZIK-CYBMUJFWSA-N 0 0 401.441 0.467 20 5 HCBDRN COC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 ZINC000462877207 1075546892 /nfs/dbraw/zinc/54/68/92/1075546892.db2.gz GVLYQLPGKPUZIK-ZDUSSCGKSA-N 0 0 401.441 0.467 20 5 HCBDRN C[C@@H]1CN(C(=O)Cn2cc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cn2)C[C@@H](C)O1 ZINC000462878401 1075547613 /nfs/dbraw/zinc/54/76/13/1075547613.db2.gz RUANOAAOVRLYIW-GHMZBOCLSA-N 0 0 403.399 0.665 20 5 HCBDRN C[C@@H]1CN(C(=O)Cn2cc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cn2)C[C@H](C)O1 ZINC000462878402 1075547659 /nfs/dbraw/zinc/54/76/59/1075547659.db2.gz RUANOAAOVRLYIW-PHIMTYICSA-N 0 0 403.399 0.665 20 5 HCBDRN C[C@H]1CN(C(=O)Cn2cc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cn2)C[C@H](C)O1 ZINC000462878403 1075547754 /nfs/dbraw/zinc/54/77/54/1075547754.db2.gz RUANOAAOVRLYIW-QWRGUYRKSA-N 0 0 403.399 0.665 20 5 HCBDRN COC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CCO1 ZINC000462885941 1075548860 /nfs/dbraw/zinc/54/88/60/1075548860.db2.gz VBMILWHSIIQSTB-AWEZNQCLSA-N 0 0 414.484 0.383 20 5 HCBDRN COC[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CCO1 ZINC000462885946 1075548881 /nfs/dbraw/zinc/54/88/81/1075548881.db2.gz VBMILWHSIIQSTB-CQSZACIVSA-N 0 0 414.484 0.383 20 5 HCBDRN CNS(=O)(=O)c1ccc2c(c1)N(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000462892485 1075550420 /nfs/dbraw/zinc/55/04/20/1075550420.db2.gz CKBJHLCCUDWYKD-UHFFFAOYSA-N 0 0 412.449 0.845 20 5 HCBDRN COCCOC[C@H](C)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000462893166 1075550195 /nfs/dbraw/zinc/55/01/95/1075550195.db2.gz CANDLTUHRHSKFI-AWEZNQCLSA-N 0 0 416.500 0.994 20 5 HCBDRN COCCOC[C@@H](C)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000462893167 1075549974 /nfs/dbraw/zinc/54/99/74/1075549974.db2.gz CANDLTUHRHSKFI-CQSZACIVSA-N 0 0 416.500 0.994 20 5 HCBDRN COC(=O)CNC(=O)c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000462898360 1075551680 /nfs/dbraw/zinc/55/16/80/1075551680.db2.gz SYLFFJHPFWCIAL-AWEZNQCLSA-N 0 0 406.439 0.656 20 5 HCBDRN COC(=O)CNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000462898362 1075551708 /nfs/dbraw/zinc/55/17/08/1075551708.db2.gz SYLFFJHPFWCIAL-CQSZACIVSA-N 0 0 406.439 0.656 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000462899954 1075551764 /nfs/dbraw/zinc/55/17/64/1075551764.db2.gz GKULWYCULXJIDM-CABCVRRESA-N 0 0 411.480 0.973 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000462899955 1075552134 /nfs/dbraw/zinc/55/21/34/1075552134.db2.gz GKULWYCULXJIDM-GJZGRUSLSA-N 0 0 411.480 0.973 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000462899956 1075551608 /nfs/dbraw/zinc/55/16/08/1075551608.db2.gz GKULWYCULXJIDM-HUUCEWRRSA-N 0 0 411.480 0.973 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000462899957 1075551730 /nfs/dbraw/zinc/55/17/30/1075551730.db2.gz GKULWYCULXJIDM-LSDHHAIUSA-N 0 0 411.480 0.973 20 5 HCBDRN C[C@H](O)CCN(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000462911101 1075554271 /nfs/dbraw/zinc/55/42/71/1075554271.db2.gz JONMVCXMCOUZNO-AWEZNQCLSA-N 0 0 416.500 0.412 20 5 HCBDRN C[C@@H](O)CCN(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000462911103 1075554319 /nfs/dbraw/zinc/55/43/19/1075554319.db2.gz JONMVCXMCOUZNO-CQSZACIVSA-N 0 0 416.500 0.412 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000462912563 1075554696 /nfs/dbraw/zinc/55/46/96/1075554696.db2.gz XEQOJZXBRIYYGU-CABCVRRESA-N 0 0 411.480 0.925 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000462912564 1075554686 /nfs/dbraw/zinc/55/46/86/1075554686.db2.gz XEQOJZXBRIYYGU-GJZGRUSLSA-N 0 0 411.480 0.925 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000462912565 1075554569 /nfs/dbraw/zinc/55/45/69/1075554569.db2.gz XEQOJZXBRIYYGU-HUUCEWRRSA-N 0 0 411.480 0.925 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000462912566 1075554643 /nfs/dbraw/zinc/55/46/43/1075554643.db2.gz XEQOJZXBRIYYGU-LSDHHAIUSA-N 0 0 411.480 0.925 20 5 HCBDRN O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1)N1CCOCC1 ZINC000462918562 1075555512 /nfs/dbraw/zinc/55/55/12/1075555512.db2.gz DCCPCRWMUFPDLC-UHFFFAOYSA-N 0 0 414.365 0.704 20 5 HCBDRN COCCN1CCN(c2nc(N3CCN(CCOC)CC3)c([N+](=O)[O-])s2)CC1 ZINC000462919059 1075555406 /nfs/dbraw/zinc/55/54/06/1075555406.db2.gz LYEUNGPROUTHJM-UHFFFAOYSA-N 0 0 414.532 0.588 20 5 HCBDRN CNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000462921241 1075553607 /nfs/dbraw/zinc/55/36/07/1075553607.db2.gz DLYJOPVCDLVVLW-UHFFFAOYSA-N 0 0 405.436 0.860 20 5 HCBDRN CNc1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000462923384 1075556163 /nfs/dbraw/zinc/55/61/63/1075556163.db2.gz BSFXSPYSVCIMEE-UHFFFAOYSA-N 0 0 403.395 0.070 20 5 HCBDRN COc1ccc(S(=O)(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1[N+](=O)[O-] ZINC000462928113 1075557350 /nfs/dbraw/zinc/55/73/50/1075557350.db2.gz WUDDDQMEHMRZPY-UHFFFAOYSA-N 0 0 409.424 0.208 20 5 HCBDRN COc1cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1[N+](=O)[O-] ZINC000462928386 1075557812 /nfs/dbraw/zinc/55/78/12/1075557812.db2.gz WCIXUFBAXPTAQB-UHFFFAOYSA-N 0 0 410.408 0.806 20 5 HCBDRN CNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000462928713 1075557893 /nfs/dbraw/zinc/55/78/93/1075557893.db2.gz YESCYASEJQDWDV-UHFFFAOYSA-N 0 0 405.436 0.860 20 5 HCBDRN CNC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000462929646 1075558328 /nfs/dbraw/zinc/55/83/28/1075558328.db2.gz XSEPNJROZVRZRO-UHFFFAOYSA-N 0 0 409.424 0.594 20 5 HCBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cn(C)nn2)c([N+](=O)[O-])c1 ZINC000462933559 1075558834 /nfs/dbraw/zinc/55/88/34/1075558834.db2.gz URCXPQYHFLWLIW-UHFFFAOYSA-N 0 0 412.428 0.771 20 5 HCBDRN CCO[C@H](C)c1noc(CN2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)n1 ZINC000462939162 1075559614 /nfs/dbraw/zinc/55/96/14/1075559614.db2.gz FRVAEABNWYGAGQ-LLVKDONJSA-N 0 0 405.415 0.891 20 5 HCBDRN CCO[C@@H](C)c1noc(CN2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)n1 ZINC000462939163 1075559706 /nfs/dbraw/zinc/55/97/06/1075559706.db2.gz FRVAEABNWYGAGQ-NSHDSACASA-N 0 0 405.415 0.891 20 5 HCBDRN Cn1ccnc1C(=O)c1ccc(Nc2cnn(CC(=O)NCCO)c2)c([N+](=O)[O-])c1 ZINC000462940653 1075560501 /nfs/dbraw/zinc/56/05/01/1075560501.db2.gz ILMNCATWVFVSQA-UHFFFAOYSA-N 0 0 413.394 0.608 20 5 HCBDRN O=C1C[C@@]2(CN1)CCCN(c1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])C2 ZINC000462954215 1075564655 /nfs/dbraw/zinc/56/46/55/1075564655.db2.gz PHUQIGCEFZDSHR-GOSISDBHSA-N 0 0 424.479 0.722 20 5 HCBDRN O=C1C[C@]2(CN1)CCCN(c1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])C2 ZINC000462954216 1075564709 /nfs/dbraw/zinc/56/47/09/1075564709.db2.gz PHUQIGCEFZDSHR-SFHVURJKSA-N 0 0 424.479 0.722 20 5 HCBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000462958081 1075565423 /nfs/dbraw/zinc/56/54/23/1075565423.db2.gz OHGKPAQAGFQFRQ-BLVKFPJESA-N 0 0 404.423 0.993 20 5 HCBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000462958082 1075565494 /nfs/dbraw/zinc/56/54/94/1075565494.db2.gz OHGKPAQAGFQFRQ-BUXKBTBVSA-N 0 0 404.423 0.993 20 5 HCBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000462958083 1075565865 /nfs/dbraw/zinc/56/58/65/1075565865.db2.gz OHGKPAQAGFQFRQ-CWTRNNRKSA-N 0 0 404.423 0.993 20 5 HCBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000462958084 1075565377 /nfs/dbraw/zinc/56/53/77/1075565377.db2.gz OHGKPAQAGFQFRQ-HXPMCKFVSA-N 0 0 404.423 0.993 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c([N+](=O)[O-])c1 ZINC000462959101 1075565739 /nfs/dbraw/zinc/56/57/39/1075565739.db2.gz YAFBXTQTUMQXON-CYBMUJFWSA-N 0 0 408.440 0.762 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)c([N+](=O)[O-])c1 ZINC000462959104 1075565855 /nfs/dbraw/zinc/56/58/55/1075565855.db2.gz YAFBXTQTUMQXON-ZDUSSCGKSA-N 0 0 408.440 0.762 20 5 HCBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000462972333 1075569591 /nfs/dbraw/zinc/56/95/91/1075569591.db2.gz VFDJVXACVGBFCK-LLVKDONJSA-N 0 0 415.406 0.543 20 5 HCBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000462972335 1075569490 /nfs/dbraw/zinc/56/94/90/1075569490.db2.gz VFDJVXACVGBFCK-NSHDSACASA-N 0 0 415.406 0.543 20 5 HCBDRN COC(=O)CNC(=O)c1ccc(N2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000462973196 1075569768 /nfs/dbraw/zinc/56/97/68/1075569768.db2.gz XOMRYHVVEHLETI-UHFFFAOYSA-N 0 0 401.379 0.154 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000462991576 1075576736 /nfs/dbraw/zinc/57/67/36/1075576736.db2.gz KMQKUCQFIBSXIS-HNNXBMFYSA-N 0 0 401.427 0.521 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000462991592 1080485956 /nfs/dbraw/zinc/48/59/56/1080485956.db2.gz KMQKUCQFIBSXIS-OAHLLOKOSA-N 0 0 401.427 0.521 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000462992006 1075576624 /nfs/dbraw/zinc/57/66/24/1075576624.db2.gz DIFGIKPCSCHNBT-DZGCQCFKSA-N 0 0 411.480 0.925 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000462992007 1075576829 /nfs/dbraw/zinc/57/68/29/1075576829.db2.gz DIFGIKPCSCHNBT-HIFRSBDPSA-N 0 0 411.480 0.925 20 5 HCBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000462992008 1080485136 /nfs/dbraw/zinc/48/51/36/1080485136.db2.gz DIFGIKPCSCHNBT-UKRRQHHQSA-N 0 0 411.480 0.925 20 5 HCBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000462992009 1075576350 /nfs/dbraw/zinc/57/63/50/1075576350.db2.gz DIFGIKPCSCHNBT-ZFWWWQNUSA-N 0 0 411.480 0.925 20 5 HCBDRN CNc1c(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cccc1[N+](=O)[O-] ZINC000462993222 1080485546 /nfs/dbraw/zinc/48/55/46/1080485546.db2.gz HCJJYERONVKFEY-UHFFFAOYSA-N 0 0 421.435 0.913 20 5 HCBDRN CNc1c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000462993468 1075577101 /nfs/dbraw/zinc/57/71/01/1075577101.db2.gz QNBGOUCLBCCQJY-UHFFFAOYSA-N 0 0 413.438 0.895 20 5 HCBDRN CNc1c(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)cccc1[N+](=O)[O-] ZINC000462994161 1075576675 /nfs/dbraw/zinc/57/66/75/1075576675.db2.gz UTEUSBKLLQIRQK-AWEZNQCLSA-N 0 0 407.471 0.936 20 5 HCBDRN CNc1c(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)cccc1[N+](=O)[O-] ZINC000462994164 1075576762 /nfs/dbraw/zinc/57/67/62/1075576762.db2.gz UTEUSBKLLQIRQK-CQSZACIVSA-N 0 0 407.471 0.936 20 5 HCBDRN CNc1c(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000462994744 1075577063 /nfs/dbraw/zinc/57/70/63/1075577063.db2.gz ZVHYNAARYXCMFV-UHFFFAOYSA-N 0 0 422.467 0.953 20 5 HCBDRN CNc1c(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000462995438 1080485313 /nfs/dbraw/zinc/48/53/13/1080485313.db2.gz QCOIFBQQIPRPLG-AWEZNQCLSA-N 0 0 405.455 0.642 20 5 HCBDRN CNc1c(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000462995439 1075577144 /nfs/dbraw/zinc/57/71/44/1075577144.db2.gz QCOIFBQQIPRPLG-CQSZACIVSA-N 0 0 405.455 0.642 20 5 HCBDRN CNc1c(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000462996496 1075575842 /nfs/dbraw/zinc/57/58/42/1075575842.db2.gz NRJJZPUYHZSQRI-GFCCVEGCSA-N 0 0 400.457 0.855 20 5 HCBDRN CNc1c(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000462996497 1075575902 /nfs/dbraw/zinc/57/59/02/1075575902.db2.gz NRJJZPUYHZSQRI-LBPRGKRZSA-N 0 0 400.457 0.855 20 5 HCBDRN CNc1c(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000462997612 1075575829 /nfs/dbraw/zinc/57/58/29/1075575829.db2.gz XAKGCHXQZVGEIV-UHFFFAOYSA-N 0 0 401.427 0.859 20 5 HCBDRN CNc1c(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cccc1[N+](=O)[O-] ZINC000462998879 1075575932 /nfs/dbraw/zinc/57/59/32/1075575932.db2.gz ZNZXRIFUPRIDBI-UHFFFAOYSA-N 0 0 405.440 0.885 20 5 HCBDRN CNc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000463001680 1075579121 /nfs/dbraw/zinc/57/91/21/1075579121.db2.gz MGELUWWOBBKHCR-UHFFFAOYSA-N 0 0 409.424 0.912 20 5 HCBDRN C[C@@H](CCO)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000463030140 1075581852 /nfs/dbraw/zinc/58/18/52/1075581852.db2.gz RHCARUYSJRTLGB-AWEZNQCLSA-N 0 0 416.500 0.636 20 5 HCBDRN C[C@H](CCO)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000463030142 1075581791 /nfs/dbraw/zinc/58/17/91/1075581791.db2.gz RHCARUYSJRTLGB-CQSZACIVSA-N 0 0 416.500 0.636 20 5 HCBDRN COC(=O)CNC(=O)c1ccc(N2CCN(Cc3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000463078015 1075590473 /nfs/dbraw/zinc/59/04/73/1075590473.db2.gz NKRLEXRKGOMABQ-UHFFFAOYSA-N 0 0 403.395 0.808 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c([N+](=O)[O-])c1 ZINC000463078805 1075590520 /nfs/dbraw/zinc/59/05/20/1075590520.db2.gz TYJCYDZNKXIFLT-CYBMUJFWSA-N 0 0 408.440 0.844 20 5 HCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463080932 1075587416 /nfs/dbraw/zinc/58/74/16/1075587416.db2.gz AQQSULDWFULNLP-KRWDZBQOSA-N 0 0 414.418 0.343 20 5 HCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463080933 1075587592 /nfs/dbraw/zinc/58/75/92/1075587592.db2.gz AQQSULDWFULNLP-QGZVFWFLSA-N 0 0 414.418 0.343 20 5 HCBDRN Cc1nn(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000463083175 1075881402 /nfs/dbraw/zinc/88/14/02/1075881402.db2.gz PWMUKNYLTSXHOK-HNNXBMFYSA-N 0 0 401.423 0.837 20 5 HCBDRN Cc1nn(C)c(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000463083176 1075856690 /nfs/dbraw/zinc/85/66/90/1075856690.db2.gz PWMUKNYLTSXHOK-OAHLLOKOSA-N 0 0 401.423 0.837 20 5 HCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463089778 1075592135 /nfs/dbraw/zinc/59/21/35/1075592135.db2.gz ACWYTMNFJHJVDI-INIZCTEOSA-N 0 0 401.423 0.686 20 5 HCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463089787 1075591985 /nfs/dbraw/zinc/59/19/85/1075591985.db2.gz ACWYTMNFJHJVDI-MRXNPFEDSA-N 0 0 401.423 0.686 20 5 HCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463096721 1075603132 /nfs/dbraw/zinc/60/31/32/1075603132.db2.gz UFPAQOUUFNTWKE-KRWDZBQOSA-N 0 0 401.423 0.768 20 5 HCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463096722 1075603112 /nfs/dbraw/zinc/60/31/12/1075603112.db2.gz UFPAQOUUFNTWKE-QGZVFWFLSA-N 0 0 401.423 0.768 20 5 HCBDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000463097226 1075596184 /nfs/dbraw/zinc/59/61/84/1075596184.db2.gz VUTSQSQNVBOPLT-MRVPVSSYSA-N 0 0 403.269 0.801 20 5 HCBDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000463097228 1075596142 /nfs/dbraw/zinc/59/61/42/1075596142.db2.gz VUTSQSQNVBOPLT-QMMMGPOBSA-N 0 0 403.269 0.801 20 5 HCBDRN CN(CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463101597 1075606250 /nfs/dbraw/zinc/60/62/50/1075606250.db2.gz IVVTUJNCIPHNOV-UHFFFAOYSA-N 0 0 419.463 0.959 20 5 HCBDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000463103580 1075597555 /nfs/dbraw/zinc/59/75/55/1075597555.db2.gz WCKXPIHTRPKJHW-SECBINFHSA-N 0 0 405.285 0.930 20 5 HCBDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000463103581 1075597581 /nfs/dbraw/zinc/59/75/81/1075597581.db2.gz WCKXPIHTRPKJHW-VIFPVBQESA-N 0 0 405.285 0.930 20 5 HCBDRN NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000463111795 1075602073 /nfs/dbraw/zinc/60/20/73/1075602073.db2.gz YAXBUOVYPDJJSH-UHFFFAOYSA-N 0 0 406.420 0.696 20 5 HCBDRN CN(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463121086 1075617670 /nfs/dbraw/zinc/61/76/70/1075617670.db2.gz YTTDFHPGKPIKSJ-UHFFFAOYSA-N 0 0 403.439 0.324 20 5 HCBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463121911 1075617845 /nfs/dbraw/zinc/61/78/45/1075617845.db2.gz YYSFTGKVSATWPR-INIZCTEOSA-N 0 0 414.418 0.343 20 5 HCBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463121912 1075617787 /nfs/dbraw/zinc/61/77/87/1075617787.db2.gz YYSFTGKVSATWPR-MRXNPFEDSA-N 0 0 414.418 0.343 20 5 HCBDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000463126887 1075610309 /nfs/dbraw/zinc/61/03/09/1075610309.db2.gz WAROZPTUASJNPB-SECBINFHSA-N 0 0 407.301 0.943 20 5 HCBDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000463126888 1075610360 /nfs/dbraw/zinc/61/03/60/1075610360.db2.gz WAROZPTUASJNPB-VIFPVBQESA-N 0 0 407.301 0.943 20 5 HCBDRN O=C(c1cnn2ncccc12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000463131599 1075620263 /nfs/dbraw/zinc/62/02/63/1075620263.db2.gz KSEUJFSNIVMLHM-UHFFFAOYSA-N 0 0 416.419 0.784 20 5 HCBDRN Cn1c2ncn(CC(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c2c(=O)n(C)c1=O ZINC000463132207 1075620638 /nfs/dbraw/zinc/62/06/38/1075620638.db2.gz ODUUVZJWMADVEO-UHFFFAOYSA-N 0 0 409.362 0.529 20 5 HCBDRN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000463176237 1075632923 /nfs/dbraw/zinc/63/29/23/1075632923.db2.gz YCQAFQWFQMUOFP-UHFFFAOYSA-N 0 0 407.404 0.792 20 5 HCBDRN O=C(Cn1ccsc1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463188272 1075645309 /nfs/dbraw/zinc/64/53/09/1075645309.db2.gz BOXRDKKBQWOEES-UHFFFAOYSA-N 0 0 412.449 0.351 20 5 HCBDRN O=C(Cn1ccsc1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463192051 1075638578 /nfs/dbraw/zinc/63/85/78/1075638578.db2.gz OGQZQCMYXZMFEY-UHFFFAOYSA-N 0 0 412.449 0.351 20 5 HCBDRN CNS(=O)(=O)NC1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000463198074 1075642069 /nfs/dbraw/zinc/64/20/69/1075642069.db2.gz DDENRPFVWIPTNR-NSHDSACASA-N 0 0 415.472 0.449 20 5 HCBDRN CCOc1ccc(NC(=O)CN(CCNS(C)(=O)=O)C2CC2)c([N+](=O)[O-])c1 ZINC000463200641 1075655763 /nfs/dbraw/zinc/65/57/63/1075655763.db2.gz JPZOJEIPRVBSHR-UHFFFAOYSA-N 0 0 400.457 0.946 20 5 HCBDRN CNS(=O)(=O)NC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000463204548 1075646516 /nfs/dbraw/zinc/64/65/16/1075646516.db2.gz SQJYNTFQXAOICE-UHFFFAOYSA-N 0 0 401.445 0.060 20 5 HCBDRN O=C(CSc1ncc[nH]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463205290 1075647775 /nfs/dbraw/zinc/64/77/75/1075647775.db2.gz MNOJPPUVMPVIFJ-UHFFFAOYSA-N 0 0 411.465 0.943 20 5 HCBDRN CS(=O)(=O)NCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000463207051 1075649470 /nfs/dbraw/zinc/64/94/70/1075649470.db2.gz YRJPXCXPEDSVIN-UHFFFAOYSA-N 0 0 400.413 0.276 20 5 HCBDRN CNS(=O)(=O)NC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000463208475 1075649831 /nfs/dbraw/zinc/64/98/31/1075649831.db2.gz FRGAXUXVMBXMHO-UHFFFAOYSA-N 0 0 405.864 0.705 20 5 HCBDRN C[C@@H](O)[C@@H](C)SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463208948 1075650647 /nfs/dbraw/zinc/65/06/47/1075650647.db2.gz ZVPKTTVAPMGZHE-CHWSQXEVSA-N 0 0 417.509 0.930 20 5 HCBDRN C[C@@H](O)[C@H](C)SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463208949 1075650756 /nfs/dbraw/zinc/65/07/56/1075650756.db2.gz ZVPKTTVAPMGZHE-OLZOCXBDSA-N 0 0 417.509 0.930 20 5 HCBDRN C[C@@H](SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)O ZINC000463208950 1075650736 /nfs/dbraw/zinc/65/07/36/1075650736.db2.gz ZVPKTTVAPMGZHE-QWHCGFSZSA-N 0 0 417.509 0.930 20 5 HCBDRN C[C@H](O)[C@H](C)SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463208951 1075650673 /nfs/dbraw/zinc/65/06/73/1075650673.db2.gz ZVPKTTVAPMGZHE-STQMWFEESA-N 0 0 417.509 0.930 20 5 HCBDRN CCOc1ccc(NC(=O)CN2CCC(NS(=O)(=O)NC)CC2)c([N+](=O)[O-])c1 ZINC000463212154 1075651821 /nfs/dbraw/zinc/65/18/21/1075651821.db2.gz KNANKWJNJWFCMC-UHFFFAOYSA-N 0 0 415.472 0.450 20 5 HCBDRN O=C(CSc1ncc[nH]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463212528 1075651803 /nfs/dbraw/zinc/65/18/03/1075651803.db2.gz JLDCUJXDRNTPMF-UHFFFAOYSA-N 0 0 411.465 0.943 20 5 HCBDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000463213917 1075652607 /nfs/dbraw/zinc/65/26/07/1075652607.db2.gz YWPGWLONZFNJHZ-SECBINFHSA-N 0 0 413.330 0.774 20 5 HCBDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000463213918 1075652659 /nfs/dbraw/zinc/65/26/59/1075652659.db2.gz YWPGWLONZFNJHZ-VIFPVBQESA-N 0 0 413.330 0.774 20 5 HCBDRN C[C@@H](O)[C@@H](C)SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463214280 1075652610 /nfs/dbraw/zinc/65/26/10/1075652610.db2.gz RPBLOOOAMRWVIW-CHWSQXEVSA-N 0 0 417.509 0.930 20 5 HCBDRN C[C@@H](O)[C@H](C)SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463214281 1075652632 /nfs/dbraw/zinc/65/26/32/1075652632.db2.gz RPBLOOOAMRWVIW-OLZOCXBDSA-N 0 0 417.509 0.930 20 5 HCBDRN C[C@@H](SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)O ZINC000463214282 1075652654 /nfs/dbraw/zinc/65/26/54/1075652654.db2.gz RPBLOOOAMRWVIW-QWHCGFSZSA-N 0 0 417.509 0.930 20 5 HCBDRN C[C@H](O)[C@H](C)SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463214283 1075652626 /nfs/dbraw/zinc/65/26/26/1075652626.db2.gz RPBLOOOAMRWVIW-STQMWFEESA-N 0 0 417.509 0.930 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000463220773 1075658270 /nfs/dbraw/zinc/65/82/70/1075658270.db2.gz FPDKYAOXBPCFNQ-NEPJUHHUSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000463220774 1075658289 /nfs/dbraw/zinc/65/82/89/1075658289.db2.gz FPDKYAOXBPCFNQ-NWDGAFQWSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000463220775 1075658141 /nfs/dbraw/zinc/65/81/41/1075658141.db2.gz FPDKYAOXBPCFNQ-RYUDHWBXSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000463220776 1075658100 /nfs/dbraw/zinc/65/81/00/1075658100.db2.gz FPDKYAOXBPCFNQ-VXGBXAGGSA-N 0 0 407.470 0.742 20 5 HCBDRN C[C@H](CO)SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463223584 1075659179 /nfs/dbraw/zinc/65/91/79/1075659179.db2.gz PUDOIMIXSMBNPY-GFCCVEGCSA-N 0 0 403.482 0.542 20 5 HCBDRN C[C@@H](CO)SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463223586 1075659095 /nfs/dbraw/zinc/65/90/95/1075659095.db2.gz PUDOIMIXSMBNPY-LBPRGKRZSA-N 0 0 403.482 0.542 20 5 HCBDRN C[C@H](CO)SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463226159 1075660253 /nfs/dbraw/zinc/66/02/53/1075660253.db2.gz VNAMFWMYPRQYSA-GFCCVEGCSA-N 0 0 403.482 0.542 20 5 HCBDRN C[C@@H](CO)SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463226160 1075660299 /nfs/dbraw/zinc/66/02/99/1075660299.db2.gz VNAMFWMYPRQYSA-LBPRGKRZSA-N 0 0 403.482 0.542 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463229512 1075661287 /nfs/dbraw/zinc/66/12/87/1075661287.db2.gz JRKIWSGPWXHMTM-NEPJUHHUSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463229513 1075661755 /nfs/dbraw/zinc/66/17/55/1075661755.db2.gz JRKIWSGPWXHMTM-NWDGAFQWSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463229514 1075661793 /nfs/dbraw/zinc/66/17/93/1075661793.db2.gz JRKIWSGPWXHMTM-RYUDHWBXSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463229515 1075661698 /nfs/dbraw/zinc/66/16/98/1075661698.db2.gz JRKIWSGPWXHMTM-VXGBXAGGSA-N 0 0 407.470 0.742 20 5 HCBDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000463230181 1075662195 /nfs/dbraw/zinc/66/21/95/1075662195.db2.gz NHYMEIVIYGBEKK-KBPBESRZSA-N 0 0 405.498 0.917 20 5 HCBDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000463230182 1075662241 /nfs/dbraw/zinc/66/22/41/1075662241.db2.gz NHYMEIVIYGBEKK-KGLIPLIRSA-N 0 0 405.498 0.917 20 5 HCBDRN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000463230183 1075662100 /nfs/dbraw/zinc/66/21/00/1075662100.db2.gz NHYMEIVIYGBEKK-UONOGXRCSA-N 0 0 405.498 0.917 20 5 HCBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000463230184 1075662154 /nfs/dbraw/zinc/66/21/54/1075662154.db2.gz NHYMEIVIYGBEKK-ZIAGYGMSSA-N 0 0 405.498 0.917 20 5 HCBDRN CC(C)(C)OC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000463230556 1075662226 /nfs/dbraw/zinc/66/22/26/1075662226.db2.gz INLBXGVCQWATLJ-INIZCTEOSA-N 0 0 418.424 0.737 20 5 HCBDRN CC(C)(C)OC(=O)[C@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000463230608 1075662128 /nfs/dbraw/zinc/66/21/28/1075662128.db2.gz INLBXGVCQWATLJ-MRXNPFEDSA-N 0 0 418.424 0.737 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463232781 1075670032 /nfs/dbraw/zinc/67/00/32/1075670032.db2.gz JEKVFDKNHXPWJN-NEPJUHHUSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463232782 1075670049 /nfs/dbraw/zinc/67/00/49/1075670049.db2.gz JEKVFDKNHXPWJN-NWDGAFQWSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463232783 1075669985 /nfs/dbraw/zinc/66/99/85/1075669985.db2.gz JEKVFDKNHXPWJN-RYUDHWBXSA-N 0 0 407.470 0.742 20 5 HCBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463232784 1075670014 /nfs/dbraw/zinc/67/00/14/1075670014.db2.gz JEKVFDKNHXPWJN-VXGBXAGGSA-N 0 0 407.470 0.742 20 5 HCBDRN CCOC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463237852 1075665679 /nfs/dbraw/zinc/66/56/79/1075665679.db2.gz OMSODGVCMIWWII-INIZCTEOSA-N 0 0 401.441 0.215 20 5 HCBDRN CCOC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463237853 1075665618 /nfs/dbraw/zinc/66/56/18/1075665618.db2.gz OMSODGVCMIWWII-MRXNPFEDSA-N 0 0 401.441 0.215 20 5 HCBDRN CCOC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000463239788 1075666449 /nfs/dbraw/zinc/66/64/49/1075666449.db2.gz AZQUYQJIQXSFTO-INIZCTEOSA-N 0 0 401.441 0.215 20 5 HCBDRN CCOC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000463239789 1075666576 /nfs/dbraw/zinc/66/65/76/1075666576.db2.gz AZQUYQJIQXSFTO-MRXNPFEDSA-N 0 0 401.441 0.215 20 5 HCBDRN CCOC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000463245929 1075668253 /nfs/dbraw/zinc/66/82/53/1075668253.db2.gz NYTXVLCQMYMKRA-KRWDZBQOSA-N 0 0 415.468 0.524 20 5 HCBDRN CCOC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000463245933 1075668170 /nfs/dbraw/zinc/66/81/70/1075668170.db2.gz NYTXVLCQMYMKRA-QGZVFWFLSA-N 0 0 415.468 0.524 20 5 HCBDRN CNC(=O)c1ccc(NCCNS(=O)(=O)c2sc(=O)[nH]c2C)c([N+](=O)[O-])c1 ZINC000463246156 1075668150 /nfs/dbraw/zinc/66/81/50/1075668150.db2.gz HRXRQBRBAATDCR-UHFFFAOYSA-N 0 0 415.453 0.815 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463248999 1075669393 /nfs/dbraw/zinc/66/93/93/1075669393.db2.gz SPQIKXDXNHVBKL-NEPJUHHUSA-N 0 0 406.486 0.775 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463249000 1075669382 /nfs/dbraw/zinc/66/93/82/1075669382.db2.gz SPQIKXDXNHVBKL-NWDGAFQWSA-N 0 0 406.486 0.775 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463249001 1075669329 /nfs/dbraw/zinc/66/93/29/1075669329.db2.gz SPQIKXDXNHVBKL-RYUDHWBXSA-N 0 0 406.486 0.775 20 5 HCBDRN CNS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000463249002 1075669373 /nfs/dbraw/zinc/66/93/73/1075669373.db2.gz SPQIKXDXNHVBKL-VXGBXAGGSA-N 0 0 406.486 0.775 20 5 HCBDRN COC(=O)Cn1ncc2c1ncn(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)c2=O ZINC000463257951 1075670401 /nfs/dbraw/zinc/67/04/01/1075670401.db2.gz AWOASLAPEIRXRY-UHFFFAOYSA-N 0 0 411.334 0.773 20 5 HCBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000463303182 1075684787 /nfs/dbraw/zinc/68/47/87/1075684787.db2.gz QCLDRAWFWBVOQB-AWEZNQCLSA-N 0 0 412.468 0.472 20 5 HCBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000463303183 1075684870 /nfs/dbraw/zinc/68/48/70/1075684870.db2.gz QCLDRAWFWBVOQB-CQSZACIVSA-N 0 0 412.468 0.472 20 5 HCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463310362 1075690899 /nfs/dbraw/zinc/69/08/99/1075690899.db2.gz UTKJXHFMFIQNDU-KRWDZBQOSA-N 0 0 416.438 0.561 20 5 HCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463310368 1075690901 /nfs/dbraw/zinc/69/09/01/1075690901.db2.gz UTKJXHFMFIQNDU-QGZVFWFLSA-N 0 0 416.438 0.561 20 5 HCBDRN O=C(c1cnn2ncccc12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463313452 1075691904 /nfs/dbraw/zinc/69/19/04/1075691904.db2.gz GWIAMHZLMLXWRJ-UHFFFAOYSA-N 0 0 416.419 0.784 20 5 HCBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000463317470 1075693412 /nfs/dbraw/zinc/69/34/12/1075693412.db2.gz CKOOUXYZOHFDLU-GXTWGEPZSA-N 0 0 412.468 0.991 20 5 HCBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000463317471 1075693350 /nfs/dbraw/zinc/69/33/50/1075693350.db2.gz CKOOUXYZOHFDLU-JSGCOSHPSA-N 0 0 412.468 0.991 20 5 HCBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000463317472 1075693256 /nfs/dbraw/zinc/69/32/56/1075693256.db2.gz CKOOUXYZOHFDLU-OCCSQVGLSA-N 0 0 412.468 0.991 20 5 HCBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000463317473 1075693385 /nfs/dbraw/zinc/69/33/85/1075693385.db2.gz CKOOUXYZOHFDLU-TZMCWYRMSA-N 0 0 412.468 0.991 20 5 HCBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000463328380 1075695798 /nfs/dbraw/zinc/69/57/98/1075695798.db2.gz SWXVFIIEQXVUEG-AWEZNQCLSA-N 0 0 412.468 0.472 20 5 HCBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000463328381 1075695887 /nfs/dbraw/zinc/69/58/87/1075695887.db2.gz SWXVFIIEQXVUEG-CQSZACIVSA-N 0 0 412.468 0.472 20 5 HCBDRN COc1cc(CCNS(=O)(=O)CCCN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000463333933 1075697689 /nfs/dbraw/zinc/69/76/89/1075697689.db2.gz GWDGGTFVZGIIMK-UHFFFAOYSA-N 0 0 417.484 0.796 20 5 HCBDRN CCN(CC1CC1)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000463343510 1075701336 /nfs/dbraw/zinc/70/13/36/1075701336.db2.gz ISLSZJRMYZOEJE-UHFFFAOYSA-N 0 0 406.486 0.439 20 5 HCBDRN CCN(CC1CC1)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000463350738 1075703228 /nfs/dbraw/zinc/70/32/28/1075703228.db2.gz IJWYHMUOEMACTM-UHFFFAOYSA-N 0 0 406.486 0.439 20 5 HCBDRN CCN(CC1CC1)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463353392 1075704925 /nfs/dbraw/zinc/70/49/25/1075704925.db2.gz UYOIPDTVWDMJDI-UHFFFAOYSA-N 0 0 420.513 0.977 20 5 HCBDRN CN(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463359366 1075707416 /nfs/dbraw/zinc/70/74/16/1075707416.db2.gz HNBDKKYYSKZUJM-UHFFFAOYSA-N 0 0 405.455 0.034 20 5 HCBDRN Cc1cc(NC(=O)CN2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000463364571 1075709081 /nfs/dbraw/zinc/70/90/81/1075709081.db2.gz DYFVOXHWBOEKKJ-UHFFFAOYSA-N 0 0 416.438 1.110 20 5 HCBDRN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000463372272 1075714947 /nfs/dbraw/zinc/71/49/47/1075714947.db2.gz RVOKLHUAAVJJQR-INIZCTEOSA-N 0 0 402.425 0.821 20 5 HCBDRN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000463372273 1075714838 /nfs/dbraw/zinc/71/48/38/1075714838.db2.gz RVOKLHUAAVJJQR-MRXNPFEDSA-N 0 0 402.425 0.821 20 5 HCBDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463378399 1075716343 /nfs/dbraw/zinc/71/63/43/1075716343.db2.gz QFYJVMSHRRXVKQ-JTQLQIEISA-N 0 0 423.369 0.989 20 5 HCBDRN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000463381028 1075711562 /nfs/dbraw/zinc/71/15/62/1075711562.db2.gz LFBNHKWSNLIEAF-KRWDZBQOSA-N 0 0 413.452 0.995 20 5 HCBDRN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000463381033 1075711763 /nfs/dbraw/zinc/71/17/63/1075711763.db2.gz LFBNHKWSNLIEAF-QGZVFWFLSA-N 0 0 413.452 0.995 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000463390007 1075720123 /nfs/dbraw/zinc/72/01/23/1075720123.db2.gz HNBNZLPXUGXURI-CQDKDKBSSA-N 0 0 412.468 0.690 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000463390008 1075720279 /nfs/dbraw/zinc/72/02/79/1075720279.db2.gz HNBNZLPXUGXURI-GLQYFDAESA-N 0 0 412.468 0.690 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000463390009 1075720182 /nfs/dbraw/zinc/72/01/82/1075720182.db2.gz HNBNZLPXUGXURI-NILFDRSVSA-N 0 0 412.468 0.690 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000463390010 1075720199 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O=[N+]([O-])c1cnc2ccccc2c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000487929075 1077843050 /nfs/dbraw/zinc/84/30/50/1077843050.db2.gz XNZKQVSLSMMMBM-UHFFFAOYSA-N 0 0 407.452 0.842 20 5 HCBDRN CS(=O)(=O)CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000487941887 1077854473 /nfs/dbraw/zinc/85/44/73/1077854473.db2.gz FWBBLBNVUFLPMB-UHFFFAOYSA-N 0 0 408.454 0.429 20 5 HCBDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000487965554 1077873168 /nfs/dbraw/zinc/87/31/68/1077873168.db2.gz TZJHAJLGZGWWBD-HNNXBMFYSA-N 0 0 402.473 0.129 20 5 HCBDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000487965556 1077873114 /nfs/dbraw/zinc/87/31/14/1077873114.db2.gz TZJHAJLGZGWWBD-OAHLLOKOSA-N 0 0 402.473 0.129 20 5 HCBDRN Cc1nc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cs1 ZINC000487979304 1077885904 /nfs/dbraw/zinc/88/59/04/1077885904.db2.gz OUQAQHVWMIHYQO-UHFFFAOYSA-N 0 0 411.465 0.970 20 5 HCBDRN Cc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000487980117 1077886714 /nfs/dbraw/zinc/88/67/14/1077886714.db2.gz KGEPLVKOQHHMQM-CYBMUJFWSA-N 0 0 414.484 0.915 20 5 HCBDRN Cc1ccc([C@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000487980122 1077886701 /nfs/dbraw/zinc/88/67/01/1077886701.db2.gz KGEPLVKOQHHMQM-ZDUSSCGKSA-N 0 0 414.484 0.915 20 5 HCBDRN COC(=O)CC1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000487988184 1077923684 /nfs/dbraw/zinc/92/36/84/1077923684.db2.gz MTFRABALCZNWMI-UHFFFAOYSA-N 0 0 408.411 0.623 20 5 HCBDRN Cc1nc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)cs1 ZINC000487992105 1077927315 /nfs/dbraw/zinc/92/73/15/1077927315.db2.gz ISBVINFMHVHBFU-UHFFFAOYSA-N 0 0 412.453 0.365 20 5 HCBDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000488000706 1077949141 /nfs/dbraw/zinc/94/91/41/1077949141.db2.gz QSRCOBFJCQZQNB-AWEZNQCLSA-N 0 0 414.484 0.906 20 5 HCBDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000488000707 1077949114 /nfs/dbraw/zinc/94/91/14/1077949114.db2.gz QSRCOBFJCQZQNB-CQSZACIVSA-N 0 0 414.484 0.906 20 5 HCBDRN CNS(=O)(=O)c1ccc(Nc2cnn(CCN3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000488006751 1077957816 /nfs/dbraw/zinc/95/78/16/1077957816.db2.gz ADJKJIUVCFTXQW-UHFFFAOYSA-N 0 0 410.456 0.775 20 5 HCBDRN Cc1ccc([C@@H](C)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000488007523 1077958810 /nfs/dbraw/zinc/95/88/10/1077958810.db2.gz ITLNNFNQHLDOLM-GFCCVEGCSA-N 0 0 414.422 0.918 20 5 HCBDRN Cc1ccc([C@H](C)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000488007524 1077958737 /nfs/dbraw/zinc/95/87/37/1077958737.db2.gz ITLNNFNQHLDOLM-LBPRGKRZSA-N 0 0 414.422 0.918 20 5 HCBDRN Cc1ccc([C@@H](C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000488059012 1078053240 /nfs/dbraw/zinc/05/32/40/1078053240.db2.gz FJRNRHRXADXWIX-LLVKDONJSA-N 0 0 400.395 0.528 20 5 HCBDRN Cc1ccc([C@H](C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000488059013 1078053292 /nfs/dbraw/zinc/05/32/92/1078053292.db2.gz FJRNRHRXADXWIX-NSHDSACASA-N 0 0 400.395 0.528 20 5 HCBDRN O=C(NC1CC1)C(=O)N1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000488075738 1078062467 /nfs/dbraw/zinc/06/24/67/1078062467.db2.gz OUNZCKMEKGFYDM-UHFFFAOYSA-N 0 0 423.857 0.923 20 5 HCBDRN Cc1nnsc1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488075880 1078062705 /nfs/dbraw/zinc/06/27/05/1078062705.db2.gz PDHQLLZHEAFWNO-UHFFFAOYSA-N 0 0 400.442 0.532 20 5 HCBDRN COC(=O)CC1(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCOCC1 ZINC000488079670 1078064733 /nfs/dbraw/zinc/06/47/33/1078064733.db2.gz URGJXEOPOQDXAA-UHFFFAOYSA-N 0 0 415.424 0.393 20 5 HCBDRN Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000488095781 1078075527 /nfs/dbraw/zinc/07/55/27/1078075527.db2.gz RWFQLVFWPSJLEC-LLVKDONJSA-N 0 0 400.395 0.528 20 5 HCBDRN Cc1ccc([C@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000488096212 1078075484 /nfs/dbraw/zinc/07/54/84/1078075484.db2.gz 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MBJFPHBXMHSOJV-AWEZNQCLSA-N 0 0 416.500 0.778 20 5 HCBDRN CCC[C@@H](O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000488148489 1078107790 /nfs/dbraw/zinc/10/77/90/1078107790.db2.gz MBJFPHBXMHSOJV-CQSZACIVSA-N 0 0 416.500 0.778 20 5 HCBDRN COc1ccc(C(=O)NCCN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc1 ZINC000488160290 1078117419 /nfs/dbraw/zinc/11/74/19/1078117419.db2.gz PDTJWVRGEDLNEK-UHFFFAOYSA-N 0 0 402.411 0.514 20 5 HCBDRN CCCN(CCC)S(=O)(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000488164800 1078119180 /nfs/dbraw/zinc/11/91/80/1078119180.db2.gz KYXNUMUNDFTDMT-UHFFFAOYSA-N 0 0 415.516 0.741 20 5 HCBDRN CCCN(CCC)S(=O)(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488165964 1078120375 /nfs/dbraw/zinc/12/03/75/1078120375.db2.gz MGTFQAJYEARFAK-INIZCTEOSA-N 0 0 418.520 0.137 20 5 HCBDRN CCCN(CCC)S(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488165965 1078120220 /nfs/dbraw/zinc/12/02/20/1078120220.db2.gz MGTFQAJYEARFAK-MRXNPFEDSA-N 0 0 418.520 0.137 20 5 HCBDRN COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1S(=O)(=O)N1CCCC1 ZINC000488170515 1078124000 /nfs/dbraw/zinc/12/40/00/1078124000.db2.gz WKUVNZOUWKLXHA-UHFFFAOYSA-N 0 0 410.412 0.618 20 5 HCBDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488171685 1078125111 /nfs/dbraw/zinc/12/51/11/1078125111.db2.gz ZHQUDHAPIGLRLZ-NEPJUHHUSA-N 0 0 403.395 0.967 20 5 HCBDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488171686 1078124992 /nfs/dbraw/zinc/12/49/92/1078124992.db2.gz ZHQUDHAPIGLRLZ-NWDGAFQWSA-N 0 0 403.395 0.967 20 5 HCBDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488171687 1078125239 /nfs/dbraw/zinc/12/52/39/1078125239.db2.gz ZHQUDHAPIGLRLZ-RYUDHWBXSA-N 0 0 403.395 0.967 20 5 HCBDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488171688 1078125157 /nfs/dbraw/zinc/12/51/57/1078125157.db2.gz ZHQUDHAPIGLRLZ-VXGBXAGGSA-N 0 0 403.395 0.967 20 5 HCBDRN 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OLGSZCVOFGZIEX-MRXNPFEDSA-N 0 0 404.423 0.171 20 5 HCBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CO)CC1 ZINC000497463920 1078255525 /nfs/dbraw/zinc/25/55/25/1078255525.db2.gz QKSDWIHJXMACJJ-HNNXBMFYSA-N 0 0 424.479 0.109 20 5 HCBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CO)CC1 ZINC000497463929 1078255596 /nfs/dbraw/zinc/25/55/96/1078255596.db2.gz QKSDWIHJXMACJJ-OAHLLOKOSA-N 0 0 424.479 0.109 20 5 HCBDRN CC(C)[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000497484980 1078256692 /nfs/dbraw/zinc/25/66/92/1078256692.db2.gz YFNJRGGIQYALRD-HNNXBMFYSA-N 0 0 400.457 0.940 20 5 HCBDRN CC(C)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000497484982 1078256700 /nfs/dbraw/zinc/25/67/00/1078256700.db2.gz YFNJRGGIQYALRD-OAHLLOKOSA-N 0 0 400.457 0.940 20 5 HCBDRN COCCSCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000497498330 1078260696 /nfs/dbraw/zinc/26/06/96/1078260696.db2.gz QXAMYKOGSUXJQN-UHFFFAOYSA-N 0 0 403.482 0.807 20 5 HCBDRN CS(=O)(=O)c1cccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000497514860 1078267376 /nfs/dbraw/zinc/26/73/76/1078267376.db2.gz FSGXYLKUTRQRRG-UHFFFAOYSA-N 0 0 410.452 0.269 20 5 HCBDRN CS(=O)(=O)c1cccc(N2CCN(c3ccc(C(N)=O)cn3)CC2)c1[N+](=O)[O-] ZINC000497517243 1078269463 /nfs/dbraw/zinc/26/94/63/1078269463.db2.gz WKVYILYTUWWVBK-UHFFFAOYSA-N 0 0 405.436 0.819 20 5 HCBDRN CS(=O)(=O)c1cccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000497521866 1078270393 /nfs/dbraw/zinc/27/03/93/1078270393.db2.gz MZAWWZPUFGDXEN-GFCCVEGCSA-N 0 0 403.482 0.307 20 5 HCBDRN CS(=O)(=O)c1cccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] ZINC000497521872 1078270366 /nfs/dbraw/zinc/27/03/66/1078270366.db2.gz MZAWWZPUFGDXEN-LBPRGKRZSA-N 0 0 403.482 0.307 20 5 HCBDRN CS(=O)(=O)c1cccc(N2CCN(c3ccc4nncn4n3)CC2)c1[N+](=O)[O-] ZINC000497522638 1078270539 /nfs/dbraw/zinc/27/05/39/1078270539.db2.gz KIOWIWQLIOWXLW-UHFFFAOYSA-N 0 0 403.424 0.763 20 5 HCBDRN COCCCS(=O)(=O)N1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497523153 1078267914 /nfs/dbraw/zinc/26/79/14/1078267914.db2.gz PPVPSFWBGCWOCZ-UHFFFAOYSA-N 0 0 421.497 0.487 20 5 HCBDRN COC[C@H](O)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000497523595 1078267783 /nfs/dbraw/zinc/26/77/83/1078267783.db2.gz MNUPXPKHQGVIEL-CYBMUJFWSA-N 0 0 402.473 0.340 20 5 HCBDRN COC[C@@H](O)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000497523621 1078267853 /nfs/dbraw/zinc/26/78/53/1078267853.db2.gz MNUPXPKHQGVIEL-ZDUSSCGKSA-N 0 0 402.473 0.340 20 5 HCBDRN CCN(CCCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)S(C)(=O)=O ZINC000497532422 1078271344 /nfs/dbraw/zinc/27/13/44/1078271344.db2.gz GYCOLYGQEYCZAP-UHFFFAOYSA-N 0 0 400.413 0.291 20 5 HCBDRN O=C1CC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CCN12 ZINC000497532464 1078271377 /nfs/dbraw/zinc/27/13/77/1078271377.db2.gz HMSCKIGTTQYORQ-CYBMUJFWSA-N 0 0 410.452 0.427 20 5 HCBDRN O=C1CC[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CCN12 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/nfs/dbraw/zinc/27/15/62/1078271562.db2.gz DCFHZLBWFSUVLA-ZDUSSCGKSA-N 0 0 414.484 0.655 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN4C(=O)CC[C@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC000497536534 1078271630 /nfs/dbraw/zinc/27/16/30/1078271630.db2.gz WKVUJWFKBQZERH-AWEZNQCLSA-N 0 0 423.495 0.342 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccc(N3CCN4C(=O)CC[C@@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC000497536535 1078271588 /nfs/dbraw/zinc/27/15/88/1078271588.db2.gz WKVUJWFKBQZERH-CQSZACIVSA-N 0 0 423.495 0.342 20 5 HCBDRN CS(=O)(=O)c1cccc(NCCS(=O)(=O)NC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000497536545 1078271531 /nfs/dbraw/zinc/27/15/31/1078271531.db2.gz DZUDEOVSOSVLIR-GFCCVEGCSA-N 0 0 421.497 0.899 20 5 HCBDRN CS(=O)(=O)c1cccc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000497536546 1078271513 /nfs/dbraw/zinc/27/15/13/1078271513.db2.gz DZUDEOVSOSVLIR-LBPRGKRZSA-N 0 0 421.497 0.899 20 5 HCBDRN CS(=O)(=O)c1cccc(NCCNS(=O)(=O)c2cccnc2)c1[N+](=O)[O-] ZINC000497536737 1078271655 /nfs/dbraw/zinc/27/16/55/1078271655.db2.gz 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/nfs/dbraw/zinc/27/65/50/1078276550.db2.gz QFZMCYZDEPDJSK-OAHLLOKOSA-N 0 0 412.468 0.721 20 5 HCBDRN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000497549374 1078272011 /nfs/dbraw/zinc/27/20/11/1078272011.db2.gz XNGRMGUIZZYOBY-KBPBESRZSA-N 0 0 412.468 0.942 20 5 HCBDRN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000497549375 1078271890 /nfs/dbraw/zinc/27/18/90/1078271890.db2.gz XNGRMGUIZZYOBY-KGLIPLIRSA-N 0 0 412.468 0.942 20 5 HCBDRN CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000497549376 1078271859 /nfs/dbraw/zinc/27/18/59/1078271859.db2.gz XNGRMGUIZZYOBY-UONOGXRCSA-N 0 0 412.468 0.942 20 5 HCBDRN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000497549377 1078271991 /nfs/dbraw/zinc/27/19/91/1078271991.db2.gz XNGRMGUIZZYOBY-ZIAGYGMSSA-N 0 0 412.468 0.942 20 5 HCBDRN O=C1CC[C@@H]2CN(c3nc(N4CCN5C(=O)CC[C@H]5C4)sc3[N+](=O)[O-])CCN12 ZINC000497552137 1078276789 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/nfs/dbraw/zinc/27/67/99/1078276799.db2.gz GJDRBNNNWWIFRV-QGZVFWFLSA-N 0 0 413.496 0.529 20 5 HCBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000497552817 1078276560 /nfs/dbraw/zinc/27/65/60/1078276560.db2.gz HHNFWSBGISYNIZ-INIZCTEOSA-N 0 0 422.438 0.612 20 5 HCBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000497552818 1078276788 /nfs/dbraw/zinc/27/67/88/1078276788.db2.gz HHNFWSBGISYNIZ-MRXNPFEDSA-N 0 0 422.438 0.612 20 5 HCBDRN Cn1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000497552845 1078276833 /nfs/dbraw/zinc/27/68/33/1078276833.db2.gz HQTXULDWTSBOIM-UHFFFAOYSA-N 0 0 406.420 0.440 20 5 HCBDRN CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000497553950 1078276787 /nfs/dbraw/zinc/27/67/87/1078276787.db2.gz VTQYZOWRCQIHCD-UHFFFAOYSA-N 0 0 419.481 0.251 20 5 HCBDRN CS(=O)(=O)c1cccc(NCc2ccc(C(=O)NCC(N)=O)cc2)c1[N+](=O)[O-] ZINC000497554359 1078273551 /nfs/dbraw/zinc/27/35/51/1078273551.db2.gz 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CC(=O)N1CCN(c2ccc(C(=O)N3CCN4C(=O)CC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000498759815 1078857332 /nfs/dbraw/zinc/85/73/32/1078857332.db2.gz MWBHBULHIURJID-INIZCTEOSA-N 0 0 415.450 0.710 20 5 HCBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCN4C(=O)CC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000498759816 1078857304 /nfs/dbraw/zinc/85/73/04/1078857304.db2.gz MWBHBULHIURJID-MRXNPFEDSA-N 0 0 415.450 0.710 20 5 HCBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000498768657 1078863124 /nfs/dbraw/zinc/86/31/24/1078863124.db2.gz KOBPJTWNQLOQEO-GDBMZVCRSA-N 0 0 422.463 0.581 20 5 HCBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000498768660 1078863031 /nfs/dbraw/zinc/86/30/31/1078863031.db2.gz KOBPJTWNQLOQEO-GOEBONIOSA-N 0 0 422.463 0.581 20 5 HCBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000498768662 1078863136 /nfs/dbraw/zinc/86/31/36/1078863136.db2.gz KOBPJTWNQLOQEO-HOCLYGCPSA-N 0 0 422.463 0.581 20 5 HCBDRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000498768664 1078863089 /nfs/dbraw/zinc/86/30/89/1078863089.db2.gz KOBPJTWNQLOQEO-ZBFHGGJFSA-N 0 0 422.463 0.581 20 5 HCBDRN C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000498770122 1078863035 /nfs/dbraw/zinc/86/30/35/1078863035.db2.gz ORCKKYQRPPFTSO-NEPJUHHUSA-N 0 0 410.452 0.313 20 5 HCBDRN C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000498770124 1078863106 /nfs/dbraw/zinc/86/31/06/1078863106.db2.gz ORCKKYQRPPFTSO-NWDGAFQWSA-N 0 0 410.452 0.313 20 5 HCBDRN C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000498770126 1078863085 /nfs/dbraw/zinc/86/30/85/1078863085.db2.gz ORCKKYQRPPFTSO-RYUDHWBXSA-N 0 0 410.452 0.313 20 5 HCBDRN C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000498770128 1078863047 /nfs/dbraw/zinc/86/30/47/1078863047.db2.gz ORCKKYQRPPFTSO-VXGBXAGGSA-N 0 0 410.452 0.313 20 5 HCBDRN C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000498775844 1078872287 /nfs/dbraw/zinc/87/22/87/1078872287.db2.gz FRBSGKFADVGNRZ-LLVKDONJSA-N 0 0 420.451 0.540 20 5 HCBDRN C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000498775845 1078872255 /nfs/dbraw/zinc/87/22/55/1078872255.db2.gz FRBSGKFADVGNRZ-NSHDSACASA-N 0 0 420.451 0.540 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000498776479 1078873814 /nfs/dbraw/zinc/87/38/14/1078873814.db2.gz HVWVEOAUXAAZIN-PBHICJAKSA-N 0 0 418.450 0.559 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000498776485 1078873850 /nfs/dbraw/zinc/87/38/50/1078873850.db2.gz HVWVEOAUXAAZIN-RHSMWYFYSA-N 0 0 418.450 0.559 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000498776487 1078873833 /nfs/dbraw/zinc/87/38/33/1078873833.db2.gz HVWVEOAUXAAZIN-WMLDXEAASA-N 0 0 418.450 0.559 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000498776489 1078873800 /nfs/dbraw/zinc/87/38/00/1078873800.db2.gz HVWVEOAUXAAZIN-YOEHRIQHSA-N 0 0 418.450 0.559 20 5 HCBDRN C[C@@H](O)C(=O)N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000498777530 1078866847 /nfs/dbraw/zinc/86/68/47/1078866847.db2.gz ODXMDDIMDNRGHQ-GFCCVEGCSA-N 0 0 406.395 0.335 20 5 HCBDRN C[C@H](O)C(=O)N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000498777531 1078866898 /nfs/dbraw/zinc/86/68/98/1078866898.db2.gz ODXMDDIMDNRGHQ-LBPRGKRZSA-N 0 0 406.395 0.335 20 5 HCBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1OC ZINC000498779354 1078868759 /nfs/dbraw/zinc/86/87/59/1078868759.db2.gz LJOWFDTZQFGFAD-GFCCVEGCSA-N 0 0 411.411 0.294 20 5 HCBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1OC ZINC000498779359 1078868744 /nfs/dbraw/zinc/86/87/44/1078868744.db2.gz LJOWFDTZQFGFAD-LBPRGKRZSA-N 0 0 411.411 0.294 20 5 HCBDRN C[C@H](O)C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000498783200 1078877594 /nfs/dbraw/zinc/87/75/94/1078877594.db2.gz WGJQOYYWKCLNHW-JTQLQIEISA-N 0 0 400.229 0.951 20 5 HCBDRN C[C@@H](O)C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000498783202 1078877557 /nfs/dbraw/zinc/87/75/57/1078877557.db2.gz WGJQOYYWKCLNHW-SNVBAGLBSA-N 0 0 400.229 0.951 20 5 HCBDRN COc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000498786622 1078879787 /nfs/dbraw/zinc/87/97/87/1078879787.db2.gz YSIVWQDRTYZQES-SECBINFHSA-N 0 0 403.338 0.870 20 5 HCBDRN COc1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000498786624 1078879748 /nfs/dbraw/zinc/87/97/48/1078879748.db2.gz YSIVWQDRTYZQES-VIFPVBQESA-N 0 0 403.338 0.870 20 5 HCBDRN Cc1cc(=O)c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000498792322 1078886210 /nfs/dbraw/zinc/88/62/10/1078886210.db2.gz JYUQHRRLSJFXRJ-CYBMUJFWSA-N 0 0 415.406 0.114 20 5 HCBDRN Cc1cc(=O)c(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000498792323 1078886264 /nfs/dbraw/zinc/88/62/64/1078886264.db2.gz JYUQHRRLSJFXRJ-ZDUSSCGKSA-N 0 0 415.406 0.114 20 5 HCBDRN COC(=O)[C@@H](C)CN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000498792693 1078885860 /nfs/dbraw/zinc/88/58/60/1078885860.db2.gz ZTBWSMVUIMYJRA-JTQLQIEISA-N 0 0 402.429 0.312 20 5 HCBDRN COC(=O)[C@H](C)CN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000498792697 1078885844 /nfs/dbraw/zinc/88/58/44/1078885844.db2.gz ZTBWSMVUIMYJRA-SNVBAGLBSA-N 0 0 402.429 0.312 20 5 HCBDRN CCC[C@@H]1C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000498799482 1078882770 /nfs/dbraw/zinc/88/27/70/1078882770.db2.gz OWTHMASUQRBKHT-CYBMUJFWSA-N 0 0 413.456 0.171 20 5 HCBDRN CCC[C@H]1C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000498799483 1078882837 /nfs/dbraw/zinc/88/28/37/1078882837.db2.gz OWTHMASUQRBKHT-ZDUSSCGKSA-N 0 0 413.456 0.171 20 5 HCBDRN CNC(=O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000498827417 1078903702 /nfs/dbraw/zinc/90/37/02/1078903702.db2.gz DWFWUSWSGPKWAI-HNNXBMFYSA-N 0 0 411.484 0.246 20 5 HCBDRN CNC(=O)[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000498827421 1078903719 /nfs/dbraw/zinc/90/37/19/1078903719.db2.gz DWFWUSWSGPKWAI-OAHLLOKOSA-N 0 0 411.484 0.246 20 5 HCBDRN Cc1ccc(S(=O)(=O)NCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000498846502 1078915881 /nfs/dbraw/zinc/91/58/81/1078915881.db2.gz XWROLOLRHXEFAI-UHFFFAOYSA-N 0 0 414.465 0.941 20 5 HCBDRN CNS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000498851991 1078918584 /nfs/dbraw/zinc/91/85/84/1078918584.db2.gz FQGAARQUYMBMML-HNNXBMFYSA-N 0 0 411.484 0.246 20 5 HCBDRN CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000498851993 1078918662 /nfs/dbraw/zinc/91/86/62/1078918662.db2.gz FQGAARQUYMBMML-OAHLLOKOSA-N 0 0 411.484 0.246 20 5 HCBDRN CN1CCC[C@H](NC(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000498863573 1078925043 /nfs/dbraw/zinc/92/50/43/1078925043.db2.gz CMSCWEONURJQNX-INIZCTEOSA-N 0 0 404.423 0.702 20 5 HCBDRN CN1CCC[C@@H](NC(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000498863575 1078924819 /nfs/dbraw/zinc/92/48/19/1078924819.db2.gz CMSCWEONURJQNX-MRXNPFEDSA-N 0 0 404.423 0.702 20 5 HCBDRN NS(=O)(=O)c1cccc(NCCCN2C(=O)NC3(CCCC3)C2=O)c1[N+](=O)[O-] ZINC000498874583 1078931527 /nfs/dbraw/zinc/93/15/27/1078931527.db2.gz JRQXXLPHBHPXTA-UHFFFAOYSA-N 0 0 411.440 0.909 20 5 HCBDRN CCN(C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000498876270 1078931420 /nfs/dbraw/zinc/93/14/20/1078931420.db2.gz PCGFMSMIDWNNOK-UHFFFAOYSA-N 0 0 406.486 0.493 20 5 HCBDRN NS(=O)(=O)c1cccc(NCCCN2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000498876662 1078926481 /nfs/dbraw/zinc/92/64/81/1078926481.db2.gz QGIACZZGBGYXJK-UHFFFAOYSA-N 0 0 421.483 0.656 20 5 HCBDRN NS(=O)(=O)c1cccc(N2CCN(CC(=O)N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000498877971 1078926901 /nfs/dbraw/zinc/92/69/01/1078926901.db2.gz WDGOCAJNCYVOMN-UHFFFAOYSA-N 0 0 411.484 0.377 20 5 HCBDRN CCS(=O)(=O)N(C)C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498878890 1078932001 /nfs/dbraw/zinc/93/20/01/1078932001.db2.gz ZVLIUSUTLBAETM-UHFFFAOYSA-N 0 0 406.486 0.493 20 5 HCBDRN NC(=O)c1cccnc1N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498892524 1078935452 /nfs/dbraw/zinc/93/54/52/1078935452.db2.gz IQXIDZWEIMCYKL-UHFFFAOYSA-N 0 0 406.424 0.063 20 5 HCBDRN NS(=O)(=O)c1cccc(N2CCN(C(=O)c3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000498892551 1078935595 /nfs/dbraw/zinc/93/55/95/1078935595.db2.gz PIBDIMSLQLEUIO-UHFFFAOYSA-N 0 0 406.420 0.910 20 5 HCBDRN Cc1cc(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)n2ncnc2n1 ZINC000498893107 1078935461 /nfs/dbraw/zinc/93/54/61/1078935461.db2.gz ITLKYKSXXIVXKX-UHFFFAOYSA-N 0 0 418.439 0.315 20 5 HCBDRN NC(=O)[C@H](c1ccccc1)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498893695 1078935438 /nfs/dbraw/zinc/93/54/38/1078935438.db2.gz AXBRALAFUFMPPF-INIZCTEOSA-N 0 0 419.463 0.591 20 5 HCBDRN NC(=O)[C@@H](c1ccccc1)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498893696 1078936185 /nfs/dbraw/zinc/93/61/85/1078936185.db2.gz AXBRALAFUFMPPF-MRXNPFEDSA-N 0 0 419.463 0.591 20 5 HCBDRN Cn1ncc2c1ncnc2N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498894588 1078936045 /nfs/dbraw/zinc/93/60/45/1078936045.db2.gz UXBREYWQVAANDG-UHFFFAOYSA-N 0 0 418.439 0.246 20 5 HCBDRN Cn1cc(C(=O)NCC2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)cn1 ZINC000498896308 1078936855 /nfs/dbraw/zinc/93/68/55/1078936855.db2.gz IIZDNASWBNGVSI-UHFFFAOYSA-N 0 0 422.467 0.622 20 5 HCBDRN Cc1nc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])no1 ZINC000498896494 1078936859 /nfs/dbraw/zinc/93/68/59/1078936859.db2.gz YMHTYUIUQNVZGB-UHFFFAOYSA-N 0 0 410.456 0.859 20 5 HCBDRN O=C1NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000498896650 1078936899 /nfs/dbraw/zinc/93/68/99/1078936899.db2.gz JJWWYKKDGYCPEP-SECBINFHSA-N 0 0 419.213 0.282 20 5 HCBDRN O=C1NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000498896651 1078936848 /nfs/dbraw/zinc/93/68/48/1078936848.db2.gz JJWWYKKDGYCPEP-VIFPVBQESA-N 0 0 419.213 0.282 20 5 HCBDRN C[C@H](CS(C)(=O)=O)N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000498899353 1078937881 /nfs/dbraw/zinc/93/78/81/1078937881.db2.gz FTQQHTFRNOPKMM-GFCCVEGCSA-N 0 0 421.497 0.485 20 5 HCBDRN C[C@@H](CS(C)(=O)=O)N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000498899354 1078937897 /nfs/dbraw/zinc/93/78/97/1078937897.db2.gz FTQQHTFRNOPKMM-LBPRGKRZSA-N 0 0 421.497 0.485 20 5 HCBDRN CCCN(CC(=O)OC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000498907001 1078942521 /nfs/dbraw/zinc/94/25/21/1078942521.db2.gz JXIAQNZGGDEZSD-UHFFFAOYSA-N 0 0 414.484 0.920 20 5 HCBDRN NS(=O)(=O)c1cccc(N2CCCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000498907160 1078942431 /nfs/dbraw/zinc/94/24/31/1078942431.db2.gz CGRHKBCLPLQQKZ-UHFFFAOYSA-N 0 0 411.484 0.377 20 5 HCBDRN CCCS(=O)(=O)NC1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498911064 1078943267 /nfs/dbraw/zinc/94/32/67/1078943267.db2.gz RKGWKBFQILCFBG-UHFFFAOYSA-N 0 0 406.486 0.540 20 5 HCBDRN CNS(=O)(=O)c1ccc(N2CCCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000498911304 1078943246 /nfs/dbraw/zinc/94/32/46/1078943246.db2.gz PHPLTGBOOQEVCK-LLVKDONJSA-N 0 0 406.486 0.411 20 5 HCBDRN CNS(=O)(=O)c1ccc(N2CCCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000498911305 1078943786 /nfs/dbraw/zinc/94/37/86/1078943786.db2.gz PHPLTGBOOQEVCK-NSHDSACASA-N 0 0 406.486 0.411 20 5 HCBDRN NS(=O)(=O)c1cccc(NC[C@@]2(N3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000498911819 1078949739 /nfs/dbraw/zinc/94/97/39/1078949739.db2.gz QPXUAUJJRUGNLE-HNNXBMFYSA-N 0 0 402.498 0.862 20 5 HCBDRN NS(=O)(=O)c1cccc(NC[C@]2(N3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000498911820 1078950036 /nfs/dbraw/zinc/95/00/36/1078950036.db2.gz QPXUAUJJRUGNLE-OAHLLOKOSA-N 0 0 402.498 0.862 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccc(NCCn3ccccc3=O)c([N+](=O)[O-])c2)CC1 ZINC000498913525 1078951026 /nfs/dbraw/zinc/95/10/26/1078951026.db2.gz XHDOYBFUIUKTSZ-UHFFFAOYSA-N 0 0 421.479 0.805 20 5 HCBDRN O=c1ccccn1CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000498929626 1078956690 /nfs/dbraw/zinc/95/66/90/1078956690.db2.gz MFXHNVXRBJBNOJ-UHFFFAOYSA-N 0 0 408.436 0.890 20 5 HCBDRN CC(C)(C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1[N+](=O)[O-] ZINC000498930209 1078956303 /nfs/dbraw/zinc/95/63/03/1078956303.db2.gz SXNAZZYLZYAKCM-UHFFFAOYSA-N 0 0 408.440 0.524 20 5 HCBDRN C[C@H](O)C(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000498930513 1078957342 /nfs/dbraw/zinc/95/73/42/1078957342.db2.gz UWQHCUPPEPAZJG-JTQLQIEISA-N 0 0 415.244 0.821 20 5 HCBDRN C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000498930528 1078957156 /nfs/dbraw/zinc/95/71/56/1078957156.db2.gz UWQHCUPPEPAZJG-SNVBAGLBSA-N 0 0 415.244 0.821 20 5 HCBDRN O=c1ccccn1CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000498933728 1078963863 /nfs/dbraw/zinc/96/38/63/1078963863.db2.gz 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ZINC000603472667 1073525578 /nfs/dbraw/zinc/52/55/78/1073525578.db2.gz NNBVQMYAKWTZML-UHFFFAOYSA-N 0 0 404.514 0.980 20 5 HCBDRN O=C(c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000603474016 1073525707 /nfs/dbraw/zinc/52/57/07/1073525707.db2.gz JELSLQSGQKBLPQ-GOSISDBHSA-N 0 0 418.450 0.895 20 5 HCBDRN O=C(c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000603474017 1073526063 /nfs/dbraw/zinc/52/60/63/1073526063.db2.gz JELSLQSGQKBLPQ-SFHVURJKSA-N 0 0 418.450 0.895 20 5 HCBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CCC(O)CC1 ZINC000603474382 1073525646 /nfs/dbraw/zinc/52/56/46/1073525646.db2.gz QXSXIZAEGIUPDV-UHFFFAOYSA-N 0 0 414.484 0.166 20 5 HCBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NC[C@@H]1CCCO1 ZINC000603474615 1073526341 /nfs/dbraw/zinc/52/63/41/1073526341.db2.gz GNHMZEDOMAJAEX-AWEZNQCLSA-N 0 0 414.484 0.796 20 5 HCBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NC[C@H]1CCCO1 ZINC000603474616 1073526449 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CC(C)COC[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603476065 1073526521 /nfs/dbraw/zinc/52/65/21/1073526521.db2.gz MTNNBBRUDQJJAU-OAHLLOKOSA-N 0 0 401.485 0.935 20 5 HCBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CCC[C@@H](O)C1 ZINC000603476081 1073526532 /nfs/dbraw/zinc/52/65/32/1073526532.db2.gz JRVYZDNJJVEKDY-CQSZACIVSA-N 0 0 414.484 0.166 20 5 HCBDRN CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603484916 1073533017 /nfs/dbraw/zinc/53/30/17/1073533017.db2.gz WQJGJAYWEGIRIB-INIZCTEOSA-N 0 0 424.479 0.875 20 5 HCBDRN CN(CC(=O)NC1CC1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603484917 1073534967 /nfs/dbraw/zinc/53/49/67/1073534967.db2.gz WQJGJAYWEGIRIB-MRXNPFEDSA-N 0 0 424.479 0.875 20 5 HCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000603485385 1073532993 /nfs/dbraw/zinc/53/29/93/1073532993.db2.gz LMRIHFUFVJPDST-UHFFFAOYSA-N 0 0 403.424 0.205 20 5 HCBDRN CS(=O)(=O)NCCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000603487705 1073534816 /nfs/dbraw/zinc/53/48/16/1073534816.db2.gz PTUGUZRORSWVHP-UHFFFAOYSA-N 0 0 400.413 0.338 20 5 HCBDRN Cc1cc(=O)c(C(=O)NCCCNS(C)(=O)=O)nn1-c1ccccc1[N+](=O)[O-] ZINC000603487722 1073534395 /nfs/dbraw/zinc/53/43/95/1073534395.db2.gz UOXDQBBLYQGUAN-UHFFFAOYSA-N 0 0 409.424 0.118 20 5 HCBDRN Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000603491677 1073547078 /nfs/dbraw/zinc/54/70/78/1073547078.db2.gz GTOMMWOEZNJZSP-INIZCTEOSA-N 0 0 404.423 0.483 20 5 HCBDRN Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000603491678 1073547372 /nfs/dbraw/zinc/54/73/72/1073547372.db2.gz GTOMMWOEZNJZSP-MRXNPFEDSA-N 0 0 404.423 0.483 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000603491688 1073547335 /nfs/dbraw/zinc/54/73/35/1073547335.db2.gz JOTOBKCLUBNLHG-BBRMVZONSA-N 0 0 404.423 0.563 20 5 HCBDRN 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ZINC000603550634 1073559578 /nfs/dbraw/zinc/55/95/78/1073559578.db2.gz RPQJOZXHTVILMB-UHFFFAOYSA-N 0 0 403.457 0.845 20 5 HCBDRN CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603554786 1073561751 /nfs/dbraw/zinc/56/17/51/1073561751.db2.gz JDKWHXUSAXNFBV-UHFFFAOYSA-N 0 0 405.864 0.611 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000603554798 1073561825 /nfs/dbraw/zinc/56/18/25/1073561825.db2.gz ZLXDTJJVHPMDIQ-GFCCVEGCSA-N 0 0 415.472 0.354 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000603554799 1073561863 /nfs/dbraw/zinc/56/18/63/1073561863.db2.gz ZLXDTJJVHPMDIQ-LBPRGKRZSA-N 0 0 415.472 0.354 20 5 HCBDRN CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000603554800 1073561835 /nfs/dbraw/zinc/56/18/35/1073561835.db2.gz ZTXLBYVZGREIPT-UHFFFAOYSA-N 0 0 415.472 0.356 20 5 HCBDRN COc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000603555101 1073561911 /nfs/dbraw/zinc/56/19/11/1073561911.db2.gz BOYMKOICEKZWFF-GFCCVEGCSA-N 0 0 415.472 0.354 20 5 HCBDRN COc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000603555102 1073561945 /nfs/dbraw/zinc/56/19/45/1073561945.db2.gz BOYMKOICEKZWFF-LBPRGKRZSA-N 0 0 415.472 0.354 20 5 HCBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1C ZINC000603555666 1073562492 /nfs/dbraw/zinc/56/24/92/1073562492.db2.gz JXHJRYBRVABILH-UHFFFAOYSA-N 0 0 406.486 0.324 20 5 HCBDRN CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603555709 1073562336 /nfs/dbraw/zinc/56/23/36/1073562336.db2.gz UWGDCJPRIIQYBE-UHFFFAOYSA-N 0 0 412.877 0.361 20 5 HCBDRN C[C@@H]1CCCN(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000603556272 1073562309 /nfs/dbraw/zinc/56/23/09/1073562309.db2.gz BKFBFBYUVMPTOP-GFCCVEGCSA-N 0 0 420.513 0.977 20 5 HCBDRN C[C@H]1CCCN(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000603556273 1073562432 /nfs/dbraw/zinc/56/24/32/1073562432.db2.gz BKFBFBYUVMPTOP-LBPRGKRZSA-N 0 0 420.513 0.977 20 5 HCBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000603556291 1073562271 /nfs/dbraw/zinc/56/22/71/1073562271.db2.gz HBQIGKCURPKJRN-HNNXBMFYSA-N 0 0 403.482 0.229 20 5 HCBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000603556292 1073562364 /nfs/dbraw/zinc/56/23/64/1073562364.db2.gz HBQIGKCURPKJRN-OAHLLOKOSA-N 0 0 403.482 0.229 20 5 HCBDRN COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000603556348 1073562498 /nfs/dbraw/zinc/56/24/98/1073562498.db2.gz WWISMOCTWYTOKX-HNNXBMFYSA-N 0 0 406.482 0.950 20 5 HCBDRN COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000603556349 1073562354 /nfs/dbraw/zinc/56/23/54/1073562354.db2.gz WWISMOCTWYTOKX-OAHLLOKOSA-N 0 0 406.482 0.950 20 5 HCBDRN CCC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000603557769 1073562835 /nfs/dbraw/zinc/56/28/35/1073562835.db2.gz YBZRUFHJBXYOFA-GFCCVEGCSA-N 0 0 412.468 0.562 20 5 HCBDRN CCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000603557770 1073562871 /nfs/dbraw/zinc/56/28/71/1073562871.db2.gz YBZRUFHJBXYOFA-LBPRGKRZSA-N 0 0 412.468 0.562 20 5 HCBDRN Cn1cnnc1Sc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000603558768 1073562817 /nfs/dbraw/zinc/56/28/17/1073562817.db2.gz DMPFYKCGAMJHKS-UHFFFAOYSA-N 0 0 420.451 0.853 20 5 HCBDRN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000603558990 1073562927 /nfs/dbraw/zinc/56/29/27/1073562927.db2.gz ZBDBMMMGQCEVSU-UHFFFAOYSA-N 0 0 414.488 0.445 20 5 HCBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000603560983 1073567722 /nfs/dbraw/zinc/56/77/22/1073567722.db2.gz BRBSLNGKVLFEBO-UHFFFAOYSA-N 0 0 415.435 0.480 20 5 HCBDRN O=C(C[C@@H]1NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O)N1CCOCC1 ZINC000603561811 1073569306 /nfs/dbraw/zinc/56/93/06/1073569306.db2.gz DSASVJXXNYFJHD-AWEZNQCLSA-N 0 0 420.378 0.131 20 5 HCBDRN O=C(C[C@H]1NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O)N1CCOCC1 ZINC000603561814 1073569552 /nfs/dbraw/zinc/56/95/52/1073569552.db2.gz DSASVJXXNYFJHD-CQSZACIVSA-N 0 0 420.378 0.131 20 5 HCBDRN CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1=O ZINC000603563463 1073569334 /nfs/dbraw/zinc/56/93/34/1073569334.db2.gz GEMXEGRPVWONEZ-AWEZNQCLSA-N 0 0 424.479 0.605 20 5 HCBDRN CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1=O ZINC000603563464 1073569407 /nfs/dbraw/zinc/56/94/07/1073569407.db2.gz GEMXEGRPVWONEZ-CQSZACIVSA-N 0 0 424.479 0.605 20 5 HCBDRN CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC000603563677 1073569975 /nfs/dbraw/zinc/56/99/75/1073569975.db2.gz UOIWWLRLRIJANK-CYBMUJFWSA-N 0 0 410.452 0.296 20 5 HCBDRN CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC000603563678 1073569868 /nfs/dbraw/zinc/56/98/68/1073569868.db2.gz UOIWWLRLRIJANK-ZDUSSCGKSA-N 0 0 410.452 0.296 20 5 HCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000603563707 1073569993 /nfs/dbraw/zinc/56/99/93/1073569993.db2.gz ZPZSWECIOYJTSV-CYBMUJFWSA-N 0 0 410.452 0.214 20 5 HCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000603563708 1073569848 /nfs/dbraw/zinc/56/98/48/1073569848.db2.gz ZPZSWECIOYJTSV-ZDUSSCGKSA-N 0 0 410.452 0.214 20 5 HCBDRN Cc1c(C(=O)N2CCN(CC(=O)N(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000603564886 1073570037 /nfs/dbraw/zinc/57/00/37/1073570037.db2.gz LQNXVTAAIIBWDM-UHFFFAOYSA-N 0 0 401.427 0.330 20 5 HCBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCNS(=O)(=O)c1ccccc1 ZINC000603566967 1073569924 /nfs/dbraw/zinc/56/99/24/1073569924.db2.gz QGXWSFJWCDDGAY-UHFFFAOYSA-N 0 0 420.403 0.597 20 5 HCBDRN CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000603567633 1073569835 /nfs/dbraw/zinc/56/98/35/1073569835.db2.gz JTKOHNGGCLSNIJ-UHFFFAOYSA-N 0 0 401.427 0.378 20 5 HCBDRN O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603571324 1073565054 /nfs/dbraw/zinc/56/50/54/1073565054.db2.gz WAFOWSVVFLVUFJ-UHFFFAOYSA-N 0 0 409.406 0.834 20 5 HCBDRN CCC1(CC)NC(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000603572196 1073566045 /nfs/dbraw/zinc/56/60/45/1073566045.db2.gz BPCGTTPUDRBZPZ-UHFFFAOYSA-N 0 0 404.427 0.749 20 5 HCBDRN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603572491 1073565537 /nfs/dbraw/zinc/56/55/37/1073565537.db2.gz YRWGHVLPOOTDCV-GASCZTMLSA-N 0 0 401.423 0.814 20 5 HCBDRN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603572492 1073565684 /nfs/dbraw/zinc/56/56/84/1073565684.db2.gz YRWGHVLPOOTDCV-GJZGRUSLSA-N 0 0 401.423 0.814 20 5 HCBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603574465 1073566632 /nfs/dbraw/zinc/56/66/32/1073566632.db2.gz VCFWFCPOHXAZFR-JTQLQIEISA-N 0 0 409.424 0.237 20 5 HCBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603574466 1073566749 /nfs/dbraw/zinc/56/67/49/1073566749.db2.gz VCFWFCPOHXAZFR-SNVBAGLBSA-N 0 0 409.424 0.237 20 5 HCBDRN CC(C)(C)NS(=O)(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000603575304 1073566710 /nfs/dbraw/zinc/56/67/10/1073566710.db2.gz CWLBPDAUDDYQCU-UHFFFAOYSA-N 0 0 412.424 0.025 20 5 HCBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000603575472 1073566688 /nfs/dbraw/zinc/56/66/88/1073566688.db2.gz HBQAROUNEPNUGM-UHFFFAOYSA-N 0 0 420.403 0.809 20 5 HCBDRN CC(C)(C)NS(=O)(=O)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603575640 1073567315 /nfs/dbraw/zinc/56/73/15/1073567315.db2.gz XDSIMCGXBKUWEI-UHFFFAOYSA-N 0 0 400.457 0.549 20 5 HCBDRN CC(C)(C)NS(=O)(=O)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000603575643 1073567213 /nfs/dbraw/zinc/56/72/13/1073567213.db2.gz XKSQHNKSHCBOML-UHFFFAOYSA-N 0 0 418.497 0.620 20 5 HCBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000603575651 1073567006 /nfs/dbraw/zinc/56/70/06/1073567006.db2.gz XPBFKUGDZJXLMU-LLVKDONJSA-N 0 0 400.457 0.547 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000603575653 1073567382 /nfs/dbraw/zinc/56/73/82/1073567382.db2.gz XPBFKUGDZJXLMU-NSHDSACASA-N 0 0 400.457 0.547 20 5 HCBDRN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cnc21 ZINC000603575660 1073567103 /nfs/dbraw/zinc/56/71/03/1073567103.db2.gz ODGAKMSIEQONEJ-UHFFFAOYSA-N 0 0 411.378 0.300 20 5 HCBDRN NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000603575716 1073567818 /nfs/dbraw/zinc/56/78/18/1073567818.db2.gz RAVMGJBWNMCTNA-UHFFFAOYSA-N 0 0 419.463 0.919 20 5 HCBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)C[C@H](C)O1 ZINC000603576443 1073567364 /nfs/dbraw/zinc/56/73/64/1073567364.db2.gz CBLBYFIFIDSIHE-BETUJISGSA-N 0 0 415.472 0.045 20 5 HCBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)C[C@@H](C)O1 ZINC000603576444 1073567277 /nfs/dbraw/zinc/56/72/77/1073567277.db2.gz CBLBYFIFIDSIHE-CHWSQXEVSA-N 0 0 415.472 0.045 20 5 HCBDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)C[C@H](C)O1 ZINC000603576445 1073567180 /nfs/dbraw/zinc/56/71/80/1073567180.db2.gz CBLBYFIFIDSIHE-STQMWFEESA-N 0 0 415.472 0.045 20 5 HCBDRN O=C(CN1CCCCC1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603577097 1073567868 /nfs/dbraw/zinc/56/78/68/1073567868.db2.gz QCAYKCIHRDTEDF-UHFFFAOYSA-N 0 0 410.452 0.440 20 5 HCBDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000603579468 1073570518 /nfs/dbraw/zinc/57/05/18/1073570518.db2.gz OVKOMBIVKSADFD-UHFFFAOYSA-N 0 0 424.439 0.595 20 5 HCBDRN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603580257 1073571146 /nfs/dbraw/zinc/57/11/46/1073571146.db2.gz BSDFVVYPLJVCIY-UHFFFAOYSA-N 0 0 421.435 0.750 20 5 HCBDRN 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ZINC000603809892 1073633149 /nfs/dbraw/zinc/63/31/49/1073633149.db2.gz FMRWSSFSSDCCAR-UHFFFAOYSA-N 0 0 420.447 0.935 20 5 HCBDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000603811903 1073633895 /nfs/dbraw/zinc/63/38/95/1073633895.db2.gz CBDCJEDHSQFBAU-UHFFFAOYSA-N 0 0 408.436 0.884 20 5 HCBDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000603815044 1073635079 /nfs/dbraw/zinc/63/50/79/1073635079.db2.gz JYQJGABNZABAOQ-GFCCVEGCSA-N 0 0 410.390 0.766 20 5 HCBDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000603815045 1073634869 /nfs/dbraw/zinc/63/48/69/1073634869.db2.gz JYQJGABNZABAOQ-LBPRGKRZSA-N 0 0 410.390 0.766 20 5 HCBDRN O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000603819788 1073635489 /nfs/dbraw/zinc/63/54/89/1073635489.db2.gz MGJSPTABNVXHHY-UHFFFAOYSA-N 0 0 406.420 0.290 20 5 HCBDRN CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000603819992 1073636926 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421.435 0.388 20 5 HCBDRN CN(C)C(=O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603834928 1073640462 /nfs/dbraw/zinc/64/04/62/1073640462.db2.gz SNWOKGVDILBKGM-UHFFFAOYSA-N 0 0 409.468 0.018 20 5 HCBDRN COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000603837322 1073641319 /nfs/dbraw/zinc/64/13/19/1073641319.db2.gz ANSFXFSLECSNNU-UHFFFAOYSA-N 0 0 421.435 0.991 20 5 HCBDRN Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] ZINC000603837411 1073641325 /nfs/dbraw/zinc/64/13/25/1073641325.db2.gz GJPHIVFNPLDFRR-UHFFFAOYSA-N 0 0 423.451 0.919 20 5 HCBDRN COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000603837548 1073641361 /nfs/dbraw/zinc/64/13/61/1073641361.db2.gz RJQSOFUVUZEOSM-UHFFFAOYSA-N 0 0 407.408 0.682 20 5 HCBDRN COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000603837578 1073641301 /nfs/dbraw/zinc/64/13/01/1073641301.db2.gz VDRLYCIRSYNNOY-UHFFFAOYSA-N 0 0 407.408 0.682 20 5 HCBDRN 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ZINC000603839963 1073647073 /nfs/dbraw/zinc/64/70/73/1073647073.db2.gz MHUQKOXJSOUJFS-UHFFFAOYSA-N 0 0 422.463 0.809 20 5 HCBDRN Nc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ncc1[N+](=O)[O-] ZINC000603840122 1073646560 /nfs/dbraw/zinc/64/65/60/1073646560.db2.gz GZILFFYJZUYXEF-UHFFFAOYSA-N 0 0 404.452 0.967 20 5 HCBDRN COC(=O)c1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)nn1 ZINC000603840470 1073646679 /nfs/dbraw/zinc/64/66/79/1073646679.db2.gz GZTWBBHZGPQVFE-UHFFFAOYSA-N 0 0 421.435 0.902 20 5 HCBDRN Nc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ncc1[N+](=O)[O-] ZINC000603842570 1073641965 /nfs/dbraw/zinc/64/19/65/1073641965.db2.gz BQBHYAZBYBHFDG-UHFFFAOYSA-N 0 0 400.367 0.756 20 5 HCBDRN O=C1Cc2cc(S(=O)(=O)N3CCN(c4cccnc4[N+](=O)[O-])CC3)ccc2N1 ZINC000603842816 1073642207 /nfs/dbraw/zinc/64/22/07/1073642207.db2.gz KAQARDWEBJSTCR-UHFFFAOYSA-N 0 0 403.420 0.995 20 5 HCBDRN COC(=O)C1CCN(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000603848716 1073643304 /nfs/dbraw/zinc/64/33/04/1073643304.db2.gz YVUXUKROJMWFHK-UHFFFAOYSA-N 0 0 424.479 0.826 20 5 HCBDRN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000603849560 1073643043 /nfs/dbraw/zinc/64/30/43/1073643043.db2.gz FRWJKHKGEYDPEO-CYBMUJFWSA-N 0 0 423.495 0.493 20 5 HCBDRN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000603849561 1073643406 /nfs/dbraw/zinc/64/34/06/1073643406.db2.gz FRWJKHKGEYDPEO-ZDUSSCGKSA-N 0 0 423.495 0.493 20 5 HCBDRN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000603849631 1073642947 /nfs/dbraw/zinc/64/29/47/1073642947.db2.gz LSVFHLRYBIVATE-GFCCVEGCSA-N 0 0 423.495 0.527 20 5 HCBDRN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000603849632 1073643174 /nfs/dbraw/zinc/64/31/74/1073643174.db2.gz LSVFHLRYBIVATE-LBPRGKRZSA-N 0 0 423.495 0.527 20 5 HCBDRN CN1CCN(S(=O)(=O)N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000603849721 1073642984 /nfs/dbraw/zinc/64/29/84/1073642984.db2.gz BJCMKGLNXSPUKJ-UHFFFAOYSA-N 0 0 420.495 0.757 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccc(NCCNc3ncccn3)c([N+](=O)[O-])c2)CC1 ZINC000603851024 1073644255 /nfs/dbraw/zinc/64/42/55/1073644255.db2.gz ZSOWHUXYKPBLLO-UHFFFAOYSA-N 0 0 421.483 0.845 20 5 HCBDRN CC(=O)N1CCN(CCNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000603855559 1073644725 /nfs/dbraw/zinc/64/47/25/1073644725.db2.gz BVINCPQPOQLGRI-UHFFFAOYSA-N 0 0 405.455 0.643 20 5 HCBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000603855587 1073644801 /nfs/dbraw/zinc/64/48/01/1073644801.db2.gz IDHHVMZRKXFLIB-UHFFFAOYSA-N 0 0 403.370 0.955 20 5 HCBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NCCN2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000603855638 1073645000 /nfs/dbraw/zinc/64/50/00/1073645000.db2.gz SBDCTXWXVVGIIT-CYBMUJFWSA-N 0 0 421.454 0.462 20 5 HCBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NCCN2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000603855639 1073644734 /nfs/dbraw/zinc/64/47/34/1073644734.db2.gz SBDCTXWXVVGIIT-ZDUSSCGKSA-N 0 0 421.454 0.462 20 5 HCBDRN NC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000603855891 1073645928 /nfs/dbraw/zinc/64/59/28/1073645928.db2.gz FINROUKPJNXWDZ-UHFFFAOYSA-N 0 0 405.436 0.668 20 5 HCBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000603855906 1073645776 /nfs/dbraw/zinc/64/57/76/1073645776.db2.gz FYBXTIAIZLBRGP-UHFFFAOYSA-N 0 0 406.424 0.063 20 5 HCBDRN COC(=O)CNC(=O)c1ccc(NCCNC(=O)c2cccnc2)c([N+](=O)[O-])c1 ZINC000603856416 1073645662 /nfs/dbraw/zinc/64/56/62/1073645662.db2.gz NRBGNZYEXVOCCD-UHFFFAOYSA-N 0 0 401.379 0.735 20 5 HCBDRN NS(=O)(=O)c1ccc(NCCS(=O)(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603859620 1073645835 /nfs/dbraw/zinc/64/58/35/1073645835.db2.gz JOAMHTGVGAAISS-UHFFFAOYSA-N 0 0 414.465 0.774 20 5 HCBDRN COCC(=O)NC1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000603860853 1073646587 /nfs/dbraw/zinc/64/65/87/1073646587.db2.gz APMAPDFBVUEYHB-UHFFFAOYSA-N 0 0 408.411 0.229 20 5 HCBDRN 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ZINC000608960309 1074525684 /nfs/dbraw/zinc/52/56/84/1074525684.db2.gz LYLMEOPUKALREF-GFCCVEGCSA-N 0 0 411.436 0.311 20 5 HCBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000608960310 1074525161 /nfs/dbraw/zinc/52/51/61/1074525161.db2.gz LYLMEOPUKALREF-LBPRGKRZSA-N 0 0 411.436 0.311 20 5 HCBDRN NC(=O)c1cccnc1N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000608960858 1074525119 /nfs/dbraw/zinc/52/51/19/1074525119.db2.gz HQIUDMAGYKOMOS-UHFFFAOYSA-N 0 0 413.390 0.822 20 5 HCBDRN CN(C)C(=O)[C@H]1CSCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608961191 1074525570 /nfs/dbraw/zinc/52/55/70/1074525570.db2.gz GRGXERBJVPQAII-CYBMUJFWSA-N 0 0 416.481 0.253 20 5 HCBDRN CN(C)C(=O)[C@@H]1CSCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608961192 1074525585 /nfs/dbraw/zinc/52/55/85/1074525585.db2.gz GRGXERBJVPQAII-ZDUSSCGKSA-N 0 0 416.481 0.253 20 5 HCBDRN CN(C)C(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000608961739 1074525692 /nfs/dbraw/zinc/52/56/92/1074525692.db2.gz CVKJWLSOLKBIOE-UHFFFAOYSA-N 0 0 424.439 0.187 20 5 HCBDRN CN(C)C(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000608961977 1074525637 /nfs/dbraw/zinc/52/56/37/1074525637.db2.gz SAZOVOCEPYAUPL-UHFFFAOYSA-N 0 0 424.439 0.187 20 5 HCBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000608964276 1074526139 /nfs/dbraw/zinc/52/61/39/1074526139.db2.gz JQKIMGLVZNHPAY-UHFFFAOYSA-N 0 0 402.415 0.144 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000608967137 1074526091 /nfs/dbraw/zinc/52/60/91/1074526091.db2.gz HVBXWUFAPFYINF-AWEZNQCLSA-N 0 0 413.434 0.925 20 5 HCBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000608967140 1074526103 /nfs/dbraw/zinc/52/61/03/1074526103.db2.gz HVBXWUFAPFYINF-CQSZACIVSA-N 0 0 413.434 0.925 20 5 HCBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000608968736 1074526513 /nfs/dbraw/zinc/52/65/13/1074526513.db2.gz WLTCWAUOQDJDBQ-GFCCVEGCSA-N 0 0 408.436 0.884 20 5 HCBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000608968737 1074526443 /nfs/dbraw/zinc/52/64/43/1074526443.db2.gz WLTCWAUOQDJDBQ-LBPRGKRZSA-N 0 0 408.436 0.884 20 5 HCBDRN O=C1Cc2cc(S(=O)(=O)N3CCN(c4ccncc4[N+](=O)[O-])CC3)ccc2N1 ZINC000608972026 1074527055 /nfs/dbraw/zinc/52/70/55/1074527055.db2.gz YKAPFGFGNNVGRF-UHFFFAOYSA-N 0 0 403.420 0.995 20 5 HCBDRN CCc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608972707 1074526973 /nfs/dbraw/zinc/52/69/73/1074526973.db2.gz AHGIMVXRNSMZMS-UHFFFAOYSA-N 0 0 423.437 0.950 20 5 HCBDRN CCn1cc(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000608977158 1074527844 /nfs/dbraw/zinc/52/78/44/1074527844.db2.gz AXPASWUPSBPODC-UHFFFAOYSA-N 0 0 417.469 0.605 20 5 HCBDRN C[C@H](C1CC1)N(C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000608977595 1074527427 /nfs/dbraw/zinc/52/74/27/1074527427.db2.gz IJWHWPMORCEVIB-LLVKDONJSA-N 0 0 420.513 0.975 20 5 HCBDRN C[C@@H](C1CC1)N(C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000608977606 1074527462 /nfs/dbraw/zinc/52/74/62/1074527462.db2.gz IJWHWPMORCEVIB-NSHDSACASA-N 0 0 420.513 0.975 20 5 HCBDRN C[C@H](C1CC1)N(C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608978088 1074527823 /nfs/dbraw/zinc/52/78/23/1074527823.db2.gz LFRKYBBWFSFNFE-LLVKDONJSA-N 0 0 406.486 0.438 20 5 HCBDRN C[C@@H](C1CC1)N(C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608978089 1074527741 /nfs/dbraw/zinc/52/77/41/1074527741.db2.gz LFRKYBBWFSFNFE-NSHDSACASA-N 0 0 406.486 0.438 20 5 HCBDRN CCn1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000608978277 1074527717 /nfs/dbraw/zinc/52/77/17/1074527717.db2.gz UPFPMCBTYVBQLO-UHFFFAOYSA-N 0 0 403.442 0.068 20 5 HCBDRN C[C@H](C1CC1)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608978471 1074527705 /nfs/dbraw/zinc/52/77/05/1074527705.db2.gz YYFJCPCULJMXNJ-LLVKDONJSA-N 0 0 406.486 0.438 20 5 HCBDRN C[C@@H](C1CC1)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608978474 1074527909 /nfs/dbraw/zinc/52/79/09/1074527909.db2.gz YYFJCPCULJMXNJ-NSHDSACASA-N 0 0 406.486 0.438 20 5 HCBDRN COc1ccc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000608979122 1074528625 /nfs/dbraw/zinc/52/86/25/1074528625.db2.gz ABQFBRNLMFVFAE-UHFFFAOYSA-N 0 0 408.436 0.978 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000608979546 1074528198 /nfs/dbraw/zinc/52/81/98/1074528198.db2.gz LBPXULPIBASPBK-UHFFFAOYSA-N 0 0 408.436 0.978 20 5 HCBDRN COc1ccc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000608980007 1074528597 /nfs/dbraw/zinc/52/85/97/1074528597.db2.gz TVZPKYNROXDDIR-UHFFFAOYSA-N 0 0 408.436 0.978 20 5 HCBDRN Cc1noc(CCCNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000608984794 1074525510 /nfs/dbraw/zinc/52/55/10/1074525510.db2.gz YQCUTNOALGPFGA-UHFFFAOYSA-N 0 0 412.428 0.497 20 5 HCBDRN CC(C)CCC(=O)NCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608985260 1074531358 /nfs/dbraw/zinc/53/13/58/1074531358.db2.gz NUCZMPWERZJCRK-UHFFFAOYSA-N 0 0 400.457 0.542 20 5 HCBDRN NC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)nc1 ZINC000608985271 1074531206 /nfs/dbraw/zinc/53/12/06/1074531206.db2.gz UBMPGJPTLGCQMJ-UHFFFAOYSA-N 0 0 413.390 0.822 20 5 HCBDRN O=C(CNC(=O)c1ccc(O)cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608985624 1074531329 /nfs/dbraw/zinc/53/13/29/1074531329.db2.gz WWPYBNAGTNPKOJ-UHFFFAOYSA-N 0 0 422.419 0.125 20 5 HCBDRN CC(C)CCC(=O)NCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608986734 1074531364 /nfs/dbraw/zinc/53/13/64/1074531364.db2.gz MIGTWPQMZIPCFT-UHFFFAOYSA-N 0 0 400.457 0.542 20 5 HCBDRN O=C(CNC(=O)c1ccc(O)cc1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608987074 1074531630 /nfs/dbraw/zinc/53/16/30/1074531630.db2.gz YZXMOYMLZNRLHZ-UHFFFAOYSA-N 0 0 422.419 0.125 20 5 HCBDRN Cn1cc(C(=O)NCC2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000609008406 1074530269 /nfs/dbraw/zinc/53/02/69/1074530269.db2.gz BOASPNDQVCWJAC-UHFFFAOYSA-N 0 0 403.443 0.929 20 5 HCBDRN Cn1cc(C(=O)NCC2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000609008601 1074530233 /nfs/dbraw/zinc/53/02/33/1074530233.db2.gz IQCFEDGUUVGTGF-UHFFFAOYSA-N 0 0 402.411 0.159 20 5 HCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000609008765 1074530207 /nfs/dbraw/zinc/53/02/07/1074530207.db2.gz NCBJRFIXYBRGEL-UHFFFAOYSA-N 0 0 403.443 0.892 20 5 HCBDRN COc1ccc(CC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000609016227 1074530806 /nfs/dbraw/zinc/53/08/06/1074530806.db2.gz JOQGLJAGEFLFOL-UHFFFAOYSA-N 0 0 400.391 0.677 20 5 HCBDRN COc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000609016287 1074530893 /nfs/dbraw/zinc/53/08/93/1074530893.db2.gz NRNZYYRFNOXWJC-UHFFFAOYSA-N 0 0 404.423 0.439 20 5 HCBDRN COc1ccc(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000609016840 1074530845 /nfs/dbraw/zinc/53/08/45/1074530845.db2.gz IMXQAYKPWFNNDC-UHFFFAOYSA-N 0 0 406.439 0.149 20 5 HCBDRN O=C(CCN1CCCC1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609019598 1074535143 /nfs/dbraw/zinc/53/51/43/1074535143.db2.gz SYBQGLSEBGCIQJ-UHFFFAOYSA-N 0 0 410.452 0.440 20 5 HCBDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)CCN3CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC000609019619 1074535190 /nfs/dbraw/zinc/53/51/90/1074535190.db2.gz VRQIVWBAJNUGGT-UHFFFAOYSA-N 0 0 424.479 0.659 20 5 HCBDRN O=C(CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1cccnc1 ZINC000609024202 1074532310 /nfs/dbraw/zinc/53/23/10/1074532310.db2.gz GTQQUJCCBMHKQQ-UHFFFAOYSA-N 0 0 400.395 0.934 20 5 HCBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCC(=O)Nc1cccnc1 ZINC000609024609 1074535562 /nfs/dbraw/zinc/53/55/62/1074535562.db2.gz SDQMYBZPMBIMAD-UHFFFAOYSA-N 0 0 421.435 0.803 20 5 HCBDRN CC(C)C(=O)N1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000609024681 1074535739 /nfs/dbraw/zinc/53/57/39/1074535739.db2.gz ILIQRCKCCAVJGG-UHFFFAOYSA-N 0 0 402.407 0.908 20 5 HCBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000609026021 1074532373 /nfs/dbraw/zinc/53/23/73/1074532373.db2.gz FCNNEAVSPBRGKD-UHFFFAOYSA-N 0 0 408.440 0.048 20 5 HCBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609026196 1074532828 /nfs/dbraw/zinc/53/28/28/1074532828.db2.gz RCBKFJJZVASYTQ-UHFFFAOYSA-N 0 0 422.467 0.507 20 5 HCBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000609026224 1074532875 /nfs/dbraw/zinc/53/28/75/1074532875.db2.gz TVVCOLKWIVNLNM-UHFFFAOYSA-N 0 0 408.440 0.048 20 5 HCBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000609026270 1074532686 /nfs/dbraw/zinc/53/26/86/1074532686.db2.gz XDCHUGIFAHRYAT-UHFFFAOYSA-N 0 0 422.467 0.438 20 5 HCBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000609026313 1074532696 /nfs/dbraw/zinc/53/26/96/1074532696.db2.gz ZLVAXSPXEDXGBX-UHFFFAOYSA-N 0 0 422.467 0.357 20 5 HCBDRN NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609026455 1074532869 /nfs/dbraw/zinc/53/28/69/1074532869.db2.gz AHRZEFGOGSGEST-GFCCVEGCSA-N 0 0 408.370 0.882 20 5 HCBDRN NC(=O)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609026456 1074532822 /nfs/dbraw/zinc/53/28/22/1074532822.db2.gz AHRZEFGOGSGEST-LBPRGKRZSA-N 0 0 408.370 0.882 20 5 HCBDRN COC(=O)CN(CC(=O)OC)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000609026602 1074532734 /nfs/dbraw/zinc/53/27/34/1074532734.db2.gz YEADPQGZCIPBHO-UHFFFAOYSA-N 0 0 418.362 0.237 20 5 HCBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000609028982 1074532744 /nfs/dbraw/zinc/53/27/44/1074532744.db2.gz ORUGIAIWXWGWQU-PBHICJAKSA-N 0 0 418.450 0.953 20 5 HCBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000609028983 1074533139 /nfs/dbraw/zinc/53/31/39/1074533139.db2.gz ORUGIAIWXWGWQU-RHSMWYFYSA-N 0 0 418.450 0.953 20 5 HCBDRN 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SYGREBPKFOVXLP-UHFFFAOYSA-N 0 0 402.425 0.889 20 5 HCBDRN CCOc1cc(C(=O)NCC(=O)NCCN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000609493646 1079276503 /nfs/dbraw/zinc/27/65/03/1079276503.db2.gz PVKNCSGUOXPYFP-UHFFFAOYSA-N 0 0 410.427 0.180 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccc(-n3cnc(CCCO)c3)c([N+](=O)[O-])c2)CC1 ZINC000609494772 1079276601 /nfs/dbraw/zinc/27/66/01/1079276601.db2.gz QPJVCVUIQQXUNY-UHFFFAOYSA-N 0 0 409.468 0.642 20 5 HCBDRN Cn1cnc2c1ncnc2N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609495483 1079276531 /nfs/dbraw/zinc/27/65/31/1079276531.db2.gz RMTGDQZTIMTBGS-UHFFFAOYSA-N 0 0 403.424 0.782 20 5 HCBDRN Cn1cnc2c1ncnc2N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609495492 1079276956 /nfs/dbraw/zinc/27/69/56/1079276956.db2.gz TZWRREBRHRIKNM-UHFFFAOYSA-N 0 0 403.424 0.782 20 5 HCBDRN Cn1cnc2c1ncnc2N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609495498 1079276969 /nfs/dbraw/zinc/27/69/69/1079276969.db2.gz VJURSXUQDDRRKH-UHFFFAOYSA-N 0 0 403.424 0.782 20 5 HCBDRN CNc1ccc(S(=O)(=O)N(C)Cc2noc(CCC(=O)OC)n2)cc1[N+](=O)[O-] ZINC000609495527 1079276983 /nfs/dbraw/zinc/27/69/83/1079276983.db2.gz AGQZZPMVEPWVPP-UHFFFAOYSA-N 0 0 413.412 0.946 20 5 HCBDRN CCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1=O ZINC000609496549 1079277008 /nfs/dbraw/zinc/27/70/08/1079277008.db2.gz KSBKKCOHKZMWAD-UHFFFAOYSA-N 0 0 421.435 0.318 20 5 HCBDRN CCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O ZINC000609496614 1079277129 /nfs/dbraw/zinc/27/71/29/1079277129.db2.gz QXJRPWJLTDDYQY-UHFFFAOYSA-N 0 0 421.435 0.318 20 5 HCBDRN CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000609497503 1079277161 /nfs/dbraw/zinc/27/71/61/1079277161.db2.gz BTGQZHWPEXELNM-GHMZBOCLSA-N 0 0 401.466 0.906 20 5 HCBDRN CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000609497504 1079277752 /nfs/dbraw/zinc/27/77/52/1079277752.db2.gz BTGQZHWPEXELNM-MNOVXSKESA-N 0 0 401.466 0.906 20 5 HCBDRN CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000609497505 1079277096 /nfs/dbraw/zinc/27/70/96/1079277096.db2.gz BTGQZHWPEXELNM-QWRGUYRKSA-N 0 0 401.466 0.906 20 5 HCBDRN CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000609497506 1079277026 /nfs/dbraw/zinc/27/70/26/1079277026.db2.gz BTGQZHWPEXELNM-WDEREUQCSA-N 0 0 401.466 0.906 20 5 HCBDRN CCn1nc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1=O ZINC000609497857 1079277125 /nfs/dbraw/zinc/27/71/25/1079277125.db2.gz PGPIITGGTURMNZ-UHFFFAOYSA-N 0 0 409.424 0.417 20 5 HCBDRN CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000609498075 1079277046 /nfs/dbraw/zinc/27/70/46/1079277046.db2.gz ODLKOVSQKQULOU-LLVKDONJSA-N 0 0 416.481 0.365 20 5 HCBDRN CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000609498076 1079277085 /nfs/dbraw/zinc/27/70/85/1079277085.db2.gz ODLKOVSQKQULOU-NSHDSACASA-N 0 0 416.481 0.365 20 5 HCBDRN COCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609498494 1079277539 /nfs/dbraw/zinc/27/75/39/1079277539.db2.gz LWFOJZIEBRIOGL-AWEZNQCLSA-N 0 0 422.438 0.794 20 5 HCBDRN COCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609498499 1079277610 /nfs/dbraw/zinc/27/76/10/1079277610.db2.gz LWFOJZIEBRIOGL-CQSZACIVSA-N 0 0 422.438 0.794 20 5 HCBDRN CN(C)C(=O)Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000609503236 1079277672 /nfs/dbraw/zinc/27/76/72/1079277672.db2.gz HYXUBYCVJLZOBI-GFCCVEGCSA-N 0 0 404.383 0.716 20 5 HCBDRN CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000609503237 1079277759 /nfs/dbraw/zinc/27/77/59/1079277759.db2.gz HYXUBYCVJLZOBI-LBPRGKRZSA-N 0 0 404.383 0.716 20 5 HCBDRN CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000609503280 1079277510 /nfs/dbraw/zinc/27/75/10/1079277510.db2.gz KXKIYSNPHZIFOI-LLVKDONJSA-N 0 0 404.383 0.716 20 5 HCBDRN CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000609503281 1079277735 /nfs/dbraw/zinc/27/77/35/1079277735.db2.gz KXKIYSNPHZIFOI-NSHDSACASA-N 0 0 404.383 0.716 20 5 HCBDRN CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)NS(C)(=O)=O ZINC000609505389 1079277602 /nfs/dbraw/zinc/27/76/02/1079277602.db2.gz DLEZHHRPFUYTRG-JTQLQIEISA-N 0 0 418.497 0.705 20 5 HCBDRN CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)NS(C)(=O)=O ZINC000609505390 1079277591 /nfs/dbraw/zinc/27/75/91/1079277591.db2.gz DLEZHHRPFUYTRG-SNVBAGLBSA-N 0 0 418.497 0.705 20 5 HCBDRN CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)NS(C)(=O)=O ZINC000609505817 1079281814 /nfs/dbraw/zinc/28/18/14/1079281814.db2.gz VYLVTSNZWISENS-JTQLQIEISA-N 0 0 402.429 0.236 20 5 HCBDRN CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)NS(C)(=O)=O ZINC000609505820 1079281154 /nfs/dbraw/zinc/28/11/54/1079281154.db2.gz VYLVTSNZWISENS-SNVBAGLBSA-N 0 0 402.429 0.236 20 5 HCBDRN Cc1ccc(NC(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)cc1S(N)(=O)=O ZINC000609507478 1079281775 /nfs/dbraw/zinc/28/17/75/1079281775.db2.gz MEJKTJMHOBHUJB-UHFFFAOYSA-N 0 0 420.403 0.915 20 5 HCBDRN COc1cc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000609507734 1079281804 /nfs/dbraw/zinc/28/18/04/1079281804.db2.gz NJQBSDFXFYPYMR-CYBMUJFWSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000609507735 1079281883 /nfs/dbraw/zinc/28/18/83/1079281883.db2.gz NJQBSDFXFYPYMR-ZDUSSCGKSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000609507751 1079281924 /nfs/dbraw/zinc/28/19/24/1079281924.db2.gz PYDVHVVJXLXQGV-CYBMUJFWSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000609507752 1079281839 /nfs/dbraw/zinc/28/18/39/1079281839.db2.gz PYDVHVVJXLXQGV-ZDUSSCGKSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000609507761 1079281685 /nfs/dbraw/zinc/28/16/85/1079281685.db2.gz QVHFLFVFHVNKCY-CYBMUJFWSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000609507762 1079281753 /nfs/dbraw/zinc/28/17/53/1079281753.db2.gz QVHFLFVFHVNKCY-ZDUSSCGKSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1ccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000609507801 1079281853 /nfs/dbraw/zinc/28/18/53/1079281853.db2.gz YDXVWCZGFBLKSO-CYBMUJFWSA-N 0 0 401.441 0.822 20 5 HCBDRN COc1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000609507802 1079281915 /nfs/dbraw/zinc/28/19/15/1079281915.db2.gz YDXVWCZGFBLKSO-ZDUSSCGKSA-N 0 0 401.441 0.822 20 5 HCBDRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCn2cnnc2C1 ZINC000609512025 1079281733 /nfs/dbraw/zinc/28/17/33/1079281733.db2.gz SMOOKFRRNNAVIN-CYBMUJFWSA-N 0 0 420.451 0.629 20 5 HCBDRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCn2cnnc2C1 ZINC000609512027 1079281870 /nfs/dbraw/zinc/28/18/70/1079281870.db2.gz SMOOKFRRNNAVIN-ZDUSSCGKSA-N 0 0 420.451 0.629 20 5 HCBDRN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2cnnc2C1 ZINC000609512077 1079281787 /nfs/dbraw/zinc/28/17/87/1079281787.db2.gz VFFTVDCUDFRCQC-HNNXBMFYSA-N 0 0 420.451 0.772 20 5 HCBDRN O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2cnnc2C1 ZINC000609512078 1079281825 /nfs/dbraw/zinc/28/18/25/1079281825.db2.gz VFFTVDCUDFRCQC-OAHLLOKOSA-N 0 0 420.451 0.772 20 5 HCBDRN CNC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000609513235 1079281696 /nfs/dbraw/zinc/28/16/96/1079281696.db2.gz TZMYJSIEOALXCG-CYBMUJFWSA-N 0 0 412.468 0.578 20 5 HCBDRN CNC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000609513236 1079282305 /nfs/dbraw/zinc/28/23/05/1079282305.db2.gz TZMYJSIEOALXCG-ZDUSSCGKSA-N 0 0 412.468 0.578 20 5 HCBDRN COCC[C@](C)(O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609513491 1079281767 /nfs/dbraw/zinc/28/17/67/1079281767.db2.gz CZALRUSEOLDHDF-KRWDZBQOSA-N 0 0 416.500 0.730 20 5 HCBDRN COCC[C@@](C)(O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609513492 1079281679 /nfs/dbraw/zinc/28/16/79/1079281679.db2.gz CZALRUSEOLDHDF-QGZVFWFLSA-N 0 0 416.500 0.730 20 5 HCBDRN O=C(COc1cccnc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609513656 1079278275 /nfs/dbraw/zinc/27/82/75/1079278275.db2.gz AZQSXMUOPGBUEZ-UHFFFAOYSA-N 0 0 406.420 0.902 20 5 HCBDRN CCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1=O ZINC000609513828 1079278010 /nfs/dbraw/zinc/27/80/10/1079278010.db2.gz UXGTUANSPNENMM-UHFFFAOYSA-N 0 0 421.435 0.318 20 5 HCBDRN CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609513879 1079278072 /nfs/dbraw/zinc/27/80/72/1079278072.db2.gz BILRCQNLKKOABO-CYBMUJFWSA-N 0 0 407.427 0.025 20 5 HCBDRN CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609513880 1079278129 /nfs/dbraw/zinc/27/81/29/1079278129.db2.gz BILRCQNLKKOABO-ZDUSSCGKSA-N 0 0 407.427 0.025 20 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CS(=O)(=O)N1CCN(c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000609565212 1078477451 /nfs/dbraw/zinc/47/74/51/1078477451.db2.gz GLABNRBSNLPNKJ-UHFFFAOYSA-N 0 0 423.455 0.297 20 5 HCBDRN Cc1nn(C)c(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1[N+](=O)[O-] ZINC000609565214 1078477355 /nfs/dbraw/zinc/47/73/55/1078477355.db2.gz GQXOXDIZBMBSPW-UHFFFAOYSA-N 0 0 423.455 0.366 20 5 HCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000609565224 1078477377 /nfs/dbraw/zinc/47/73/77/1078477377.db2.gz JPBREYSIUHUSEH-UHFFFAOYSA-N 0 0 408.440 0.662 20 5 HCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000609565284 1078477294 /nfs/dbraw/zinc/47/72/94/1078477294.db2.gz VKQCWCSFDAQOEO-UHFFFAOYSA-N 0 0 423.455 0.215 20 5 HCBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(Oc2ccncc2)C1 ZINC000609569348 1078477811 /nfs/dbraw/zinc/47/78/11/1078477811.db2.gz YGADLNHRGAEDNS-UHFFFAOYSA-N 0 0 406.420 0.948 20 5 HCBDRN CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609575934 1078477841 /nfs/dbraw/zinc/47/78/41/1078477841.db2.gz SQFIMBPPUVZYRK-HNNXBMFYSA-N 0 0 410.452 0.485 20 5 HCBDRN CN(CC(=O)NC1CC1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609575935 1078477957 /nfs/dbraw/zinc/47/79/57/1078477957.db2.gz SQFIMBPPUVZYRK-OAHLLOKOSA-N 0 0 410.452 0.485 20 5 HCBDRN CC(=O)NC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609576410 1078480688 /nfs/dbraw/zinc/48/06/88/1078480688.db2.gz MWHAXQJNEUYUTI-KRWDZBQOSA-N 0 0 424.479 0.875 20 5 HCBDRN CC(=O)NC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609576411 1078480869 /nfs/dbraw/zinc/48/08/69/1078480869.db2.gz MWHAXQJNEUYUTI-QGZVFWFLSA-N 0 0 424.479 0.875 20 5 HCBDRN O=C(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CCCC1 ZINC000609576444 1078480758 /nfs/dbraw/zinc/48/07/58/1078480758.db2.gz PXNWWYGDGYCNJU-INIZCTEOSA-N 0 0 424.479 0.923 20 5 HCBDRN 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410.452 0.359 20 5 HCBDRN Cc1cc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)ccc1[N+](=O)[O-] ZINC000609673841 1078511445 /nfs/dbraw/zinc/51/14/45/1078511445.db2.gz JHUSCOMPCIQUMX-UHFFFAOYSA-N 0 0 405.436 0.908 20 5 HCBDRN Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)ccc1[N+](=O)[O-] ZINC000609674204 1078511613 /nfs/dbraw/zinc/51/16/13/1078511613.db2.gz GNFIGHAWNHOXSR-UHFFFAOYSA-N 0 0 409.511 0.560 20 5 HCBDRN Cc1cc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000609674585 1078511572 /nfs/dbraw/zinc/51/15/72/1078511572.db2.gz FCIYMRYBJMPHEC-NEPJUHHUSA-N 0 0 419.481 0.121 20 5 HCBDRN Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000609674587 1078511645 /nfs/dbraw/zinc/51/16/45/1078511645.db2.gz FCIYMRYBJMPHEC-NWDGAFQWSA-N 0 0 419.481 0.121 20 5 HCBDRN Cc1cc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000609674590 1078511685 /nfs/dbraw/zinc/51/16/85/1078511685.db2.gz FCIYMRYBJMPHEC-VXGBXAGGSA-N 0 0 419.481 0.121 20 5 HCBDRN Cc1cc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000609674806 1078512367 /nfs/dbraw/zinc/51/23/67/1078512367.db2.gz QDIUFEWXLPRMKL-UHFFFAOYSA-N 0 0 405.436 0.908 20 5 HCBDRN NS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000609678774 1078513564 /nfs/dbraw/zinc/51/35/64/1078513564.db2.gz BCLDDTNRXDSYKY-UHFFFAOYSA-N 0 0 407.376 0.999 20 5 HCBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000609678883 1078514190 /nfs/dbraw/zinc/51/41/90/1078514190.db2.gz MCTNADCTOQFMHF-UHFFFAOYSA-N 0 0 419.412 0.868 20 5 HCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000609678898 1078514370 /nfs/dbraw/zinc/51/43/70/1078514370.db2.gz MYNRYDPFHAJWOI-UHFFFAOYSA-N 0 0 419.412 0.868 20 5 HCBDRN COc1ccc(S(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000609679269 1078514090 /nfs/dbraw/zinc/51/40/90/1078514090.db2.gz TWBZATDLCLNAMR-UHFFFAOYSA-N 0 0 419.412 0.868 20 5 HCBDRN COc1ccc(S(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)c([N+](=O)[O-])c1 ZINC000609679334 1078514394 /nfs/dbraw/zinc/51/43/94/1078514394.db2.gz XMERVFTVQBQSFT-UHFFFAOYSA-N 0 0 419.412 0.868 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCOC[C@@H]1CCCO1 ZINC000609679571 1078513400 /nfs/dbraw/zinc/51/34/00/1078513400.db2.gz AJCCXTCAXQOTGY-AWEZNQCLSA-N 0 0 416.456 0.368 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCOC[C@H]1CCCO1 ZINC000609679572 1078513527 /nfs/dbraw/zinc/51/35/27/1078513527.db2.gz AJCCXTCAXQOTGY-CQSZACIVSA-N 0 0 416.456 0.368 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCOC[C@@H]1CCCO1 ZINC000609679575 1078513459 /nfs/dbraw/zinc/51/34/59/1078513459.db2.gz AOJUOEPJLJJAMX-AWEZNQCLSA-N 0 0 416.456 0.368 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCOC[C@H]1CCCO1 ZINC000609679576 1078513334 /nfs/dbraw/zinc/51/33/34/1078513334.db2.gz AOJUOEPJLJJAMX-CQSZACIVSA-N 0 0 416.456 0.368 20 5 HCBDRN NS(=O)(=O)c1ccc(F)c(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000609679745 1078514416 /nfs/dbraw/zinc/51/44/16/1078514416.db2.gz AZBNCPHSPBBKNJ-UHFFFAOYSA-N 0 0 424.410 0.818 20 5 HCBDRN NS(=O)(=O)c1ccc(F)c(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000609679947 1078514436 /nfs/dbraw/zinc/51/44/36/1078514436.db2.gz IAPIRLCOJXEHMN-UHFFFAOYSA-N 0 0 410.383 0.428 20 5 HCBDRN NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000609680512 1078514350 /nfs/dbraw/zinc/51/43/50/1078514350.db2.gz WUVNNQYBVNIKBH-UHFFFAOYSA-N 0 0 420.382 0.892 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000609680897 1078515119 /nfs/dbraw/zinc/51/51/19/1078515119.db2.gz FDJNDXQDGYZEOT-JTQLQIEISA-N 0 0 424.410 0.816 20 5 HCBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000609680899 1078514859 /nfs/dbraw/zinc/51/48/59/1078514859.db2.gz FDJNDXQDGYZEOT-SNVBAGLBSA-N 0 0 424.410 0.816 20 5 HCBDRN Cc1c(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cccc1[N+](=O)[O-] ZINC000609689809 1078519364 /nfs/dbraw/zinc/51/93/64/1078519364.db2.gz GGKIBNKXMFQWIL-UHFFFAOYSA-N 0 0 410.383 0.945 20 5 HCBDRN Cc1ccc(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000609690155 1078519565 /nfs/dbraw/zinc/51/95/65/1078519565.db2.gz OZGRWXOYZKYCNW-UHFFFAOYSA-N 0 0 410.383 0.945 20 5 HCBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000609690274 1078519460 /nfs/dbraw/zinc/51/94/60/1078519460.db2.gz WHYAYVPYFNUWPV-UHFFFAOYSA-N 0 0 410.383 0.945 20 5 HCBDRN Cn1cnc([N+](=O)[O-])c1Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000609704226 1078520827 /nfs/dbraw/zinc/52/08/27/1078520827.db2.gz GOFQTJAAEOQBDR-UHFFFAOYSA-N 0 0 409.424 0.838 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1C ZINC000609706298 1078521568 /nfs/dbraw/zinc/52/15/68/1078521568.db2.gz ARTTXZXTMXOBTO-UHFFFAOYSA-N 0 0 401.441 0.690 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1C ZINC000609706300 1078521314 /nfs/dbraw/zinc/52/13/14/1078521314.db2.gz BRENOHARCMVZNY-JTQLQIEISA-N 0 0 406.438 0.545 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1C ZINC000609706301 1078521508 /nfs/dbraw/zinc/52/15/08/1078521508.db2.gz BRENOHARCMVZNY-SNVBAGLBSA-N 0 0 406.438 0.545 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)NCCCNS(C)(=O)=O)cc([N+](=O)[O-])c1C ZINC000609706825 1078522280 /nfs/dbraw/zinc/52/22/80/1078522280.db2.gz GHXMKTMXNCXITK-UHFFFAOYSA-N 0 0 423.469 0.298 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1C ZINC000609706909 1078522305 /nfs/dbraw/zinc/52/23/05/1078522305.db2.gz OBQZWXBPKWTWDL-LLVKDONJSA-N 0 0 420.465 0.793 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1C ZINC000609706910 1078522296 /nfs/dbraw/zinc/52/22/96/1078522296.db2.gz OBQZWXBPKWTWDL-NSHDSACASA-N 0 0 420.465 0.793 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1C ZINC000609707577 1078521518 /nfs/dbraw/zinc/52/15/18/1078521518.db2.gz GWQJEELCOFYAPT-CYBMUJFWSA-N 0 0 414.484 0.604 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1C ZINC000609707578 1078521379 /nfs/dbraw/zinc/52/13/79/1078521379.db2.gz GWQJEELCOFYAPT-ZDUSSCGKSA-N 0 0 414.484 0.604 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C(=O)OC)C2)cc([N+](=O)[O-])c1C ZINC000609707950 1078522053 /nfs/dbraw/zinc/52/20/53/1078522053.db2.gz QKUTYIXBNDPJSD-AWEZNQCLSA-N 0 0 416.408 0.642 20 5 HCBDRN CCOC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C(=O)OC)C2)cc([N+](=O)[O-])c1C ZINC000609707951 1078522139 /nfs/dbraw/zinc/52/21/39/1078522139.db2.gz QKUTYIXBNDPJSD-CQSZACIVSA-N 0 0 416.408 0.642 20 5 HCBDRN COC(=O)CCCN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609708981 1078522836 /nfs/dbraw/zinc/52/28/36/1078522836.db2.gz ZWGWMJOZQGJUQS-UHFFFAOYSA-N 0 0 401.441 0.863 20 5 HCBDRN CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000609710757 1078523109 /nfs/dbraw/zinc/52/31/09/1078523109.db2.gz JYDPPEHBPHGWGE-UHFFFAOYSA-N 0 0 417.919 0.858 20 5 HCBDRN CN(C)S(=O)(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609723001 1078525644 /nfs/dbraw/zinc/52/56/44/1078525644.db2.gz IQKOSCYBYNXFFL-UHFFFAOYSA-N 0 0 420.875 0.968 20 5 HCBDRN Cc1sc(=O)n(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000609724635 1078525771 /nfs/dbraw/zinc/52/57/71/1078525771.db2.gz CVJSVGXUOCZXHY-UHFFFAOYSA-N 0 0 414.465 0.530 20 5 HCBDRN CCC(=O)N1CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609724837 1078526104 /nfs/dbraw/zinc/52/61/04/1078526104.db2.gz LPPNJVQDVFBHSM-AWEZNQCLSA-N 0 0 412.468 0.780 20 5 HCBDRN CCC(=O)N1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609724842 1078526291 /nfs/dbraw/zinc/52/62/91/1078526291.db2.gz LPPNJVQDVFBHSM-CQSZACIVSA-N 0 0 412.468 0.780 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000609724923 1078526095 /nfs/dbraw/zinc/52/60/95/1078526095.db2.gz SPNCTSNSRVOIPA-UHFFFAOYSA-N 0 0 422.467 0.044 20 5 HCBDRN O=C(CCn1cc(Cl)cn1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725354 1078526072 /nfs/dbraw/zinc/52/60/72/1078526072.db2.gz BMSJUMVQUYNPMU-UHFFFAOYSA-N 0 0 401.832 0.930 20 5 HCBDRN C[C@H](Sc1nncn1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725376 1078526207 /nfs/dbraw/zinc/52/62/07/1078526207.db2.gz DVNGABFHQFHHBT-JTQLQIEISA-N 0 0 414.469 0.299 20 5 HCBDRN C[C@@H](Sc1nncn1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725377 1078526280 /nfs/dbraw/zinc/52/62/80/1078526280.db2.gz DVNGABFHQFHHBT-SNVBAGLBSA-N 0 0 414.469 0.299 20 5 HCBDRN CCC(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609725385 1078526062 /nfs/dbraw/zinc/52/60/62/1078526062.db2.gz FKGPLPXLVPTKHG-CYBMUJFWSA-N 0 0 412.468 0.638 20 5 HCBDRN CCC(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609725386 1078526129 /nfs/dbraw/zinc/52/61/29/1078526129.db2.gz FKGPLPXLVPTKHG-ZDUSSCGKSA-N 0 0 412.468 0.638 20 5 HCBDRN Cn1nnc2cc(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000609725410 1078526085 /nfs/dbraw/zinc/52/60/85/1078526085.db2.gz HUHVTBOOBLUYGL-UHFFFAOYSA-N 0 0 404.408 0.585 20 5 HCBDRN COCc1nc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000609725458 1078526054 /nfs/dbraw/zinc/52/60/54/1078526054.db2.gz NFAFRSVVCPEZHR-UHFFFAOYSA-N 0 0 400.438 0.906 20 5 HCBDRN Cc1nc(C)c(CCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000609725521 1078525692 /nfs/dbraw/zinc/52/56/92/1078525692.db2.gz TWWVLKLPAVCZJM-UHFFFAOYSA-N 0 0 423.451 0.735 20 5 HCBDRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725556 1078525679 /nfs/dbraw/zinc/52/56/79/1078525679.db2.gz WNSDZINFHKUCSJ-KGLIPLIRSA-N 0 0 415.468 0.964 20 5 HCBDRN C[C@H](OC[C@H]1CCCCO1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725557 1078525498 /nfs/dbraw/zinc/52/54/98/1078525498.db2.gz WNSDZINFHKUCSJ-UONOGXRCSA-N 0 0 415.468 0.964 20 5 HCBDRN C[C@@H](OC[C@H]1CCCCO1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725558 1078525737 /nfs/dbraw/zinc/52/57/37/1078525737.db2.gz WNSDZINFHKUCSJ-ZIAGYGMSSA-N 0 0 415.468 0.964 20 5 HCBDRN O=C(Cc1cn2ccsc2n1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725560 1078525756 /nfs/dbraw/zinc/52/57/56/1078525756.db2.gz WUUQZOSBMJNAHW-UHFFFAOYSA-N 0 0 409.449 0.941 20 5 HCBDRN O=C(CN1CCCCCCC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725621 1078525824 /nfs/dbraw/zinc/52/58/24/1078525824.db2.gz CJTHQTREPTXGSR-UHFFFAOYSA-N 0 0 412.468 0.782 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000609725660 1078525614 /nfs/dbraw/zinc/52/56/14/1078525614.db2.gz HCMOFRQDVJEQLB-AWEZNQCLSA-N 0 0 424.479 0.638 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000609725661 1078525579 /nfs/dbraw/zinc/52/55/79/1078525579.db2.gz HCMOFRQDVJEQLB-CQSZACIVSA-N 0 0 424.479 0.638 20 5 HCBDRN O=C(Cc1cn2ccccc2n1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725675 1078525534 /nfs/dbraw/zinc/52/55/34/1078525534.db2.gz IOXQSWDZGGJTJB-UHFFFAOYSA-N 0 0 403.420 0.880 20 5 HCBDRN Cc1nn2cccnc2c1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725720 1078526269 /nfs/dbraw/zinc/52/62/69/1078526269.db2.gz MVCMRNUGULIHKA-UHFFFAOYSA-N 0 0 404.408 0.654 20 5 HCBDRN CC(C)CN1C[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000609725722 1078526161 /nfs/dbraw/zinc/52/61/61/1078526161.db2.gz NPEPJQVQUHSAEO-CYBMUJFWSA-N 0 0 412.468 0.494 20 5 HCBDRN CC(C)CN1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000609725723 1078526310 /nfs/dbraw/zinc/52/63/10/1078526310.db2.gz NPEPJQVQUHSAEO-ZDUSSCGKSA-N 0 0 412.468 0.494 20 5 HCBDRN CC(C)[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1=O ZINC000609725733 1078526229 /nfs/dbraw/zinc/52/62/29/1078526229.db2.gz OFHKVLBGEYDHBF-INIZCTEOSA-N 0 0 412.468 0.636 20 5 HCBDRN CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1=O ZINC000609725734 1078527007 /nfs/dbraw/zinc/52/70/07/1078527007.db2.gz OFHKVLBGEYDHBF-MRXNPFEDSA-N 0 0 412.468 0.636 20 5 HCBDRN CCC(=O)N1CSC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725773 1078526112 /nfs/dbraw/zinc/52/61/12/1078526112.db2.gz RIDTXELTSKHPPG-GFCCVEGCSA-N 0 0 416.481 0.301 20 5 HCBDRN CCC(=O)N1CSC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725774 1078526189 /nfs/dbraw/zinc/52/61/89/1078526189.db2.gz RIDTXELTSKHPPG-LBPRGKRZSA-N 0 0 416.481 0.301 20 5 HCBDRN CC(C)CS(=O)(=O)CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725778 1078526373 /nfs/dbraw/zinc/52/63/73/1078526373.db2.gz RPTJOIBPXTUXOX-UHFFFAOYSA-N 0 0 421.497 0.450 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 ZINC000609725820 1078523728 /nfs/dbraw/zinc/52/37/28/1078523728.db2.gz VRZOWECLNCPWDB-UHFFFAOYSA-N 0 0 417.407 0.279 20 5 HCBDRN Cc1ccnc2nc(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])nn21 ZINC000609725821 1078523892 /nfs/dbraw/zinc/52/38/92/1078523892.db2.gz VXNVFLWCJGRHFV-UHFFFAOYSA-N 0 0 405.396 0.049 20 5 HCBDRN CC(C)CS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725838 1078523943 /nfs/dbraw/zinc/52/39/43/1078523943.db2.gz XAXYCNOWAGWTLF-UHFFFAOYSA-N 0 0 407.470 0.060 20 5 HCBDRN CC(C)(C)C(=O)NCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725880 1078523921 /nfs/dbraw/zinc/52/39/21/1078523921.db2.gz YLRYQRYRMSUEQK-UHFFFAOYSA-N 0 0 400.457 0.542 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc2sccn2c1=O ZINC000609729597 1078524007 /nfs/dbraw/zinc/52/40/07/1078524007.db2.gz ABQUNALFXPNRCM-UHFFFAOYSA-N 0 0 423.432 0.373 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc2ccccn2c1=O ZINC000609729609 1078523838 /nfs/dbraw/zinc/52/38/38/1078523838.db2.gz AIVKSKMJXBECCH-UHFFFAOYSA-N 0 0 417.403 0.311 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000609729651 1078524000 /nfs/dbraw/zinc/52/40/00/1078524000.db2.gz BSIIOPZTOKLQEV-UHFFFAOYSA-N 0 0 420.403 0.634 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000609729772 1078524366 /nfs/dbraw/zinc/52/43/66/1078524366.db2.gz INLAFKBNSDLOKF-UHFFFAOYSA-N 0 0 405.392 0.885 20 5 HCBDRN Cc1nn(C)c2ncc(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc12 ZINC000609729792 1078524296 /nfs/dbraw/zinc/52/42/96/1078524296.db2.gz JJAAGQMLGXILEP-UHFFFAOYSA-N 0 0 418.435 0.893 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000609730059 1078524385 /nfs/dbraw/zinc/52/43/85/1078524385.db2.gz MTIBWPPFDCMAHT-HNNXBMFYSA-N 0 0 407.404 0.829 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 ZINC000609730060 1078523860 /nfs/dbraw/zinc/52/38/60/1078523860.db2.gz MTIBWPPFDCMAHT-OAHLLOKOSA-N 0 0 407.404 0.829 20 5 HCBDRN CS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000609730099 1078523989 /nfs/dbraw/zinc/52/39/89/1078523989.db2.gz PEPGMZOTZZYBIW-UHFFFAOYSA-N 0 0 417.421 0.300 20 5 HCBDRN O=C(CCCNC(=O)c1ccco1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609730115 1078523752 /nfs/dbraw/zinc/52/37/52/1078523752.db2.gz QGHFDBRVMLSFFJ-UHFFFAOYSA-N 0 0 424.435 0.793 20 5 HCBDRN CC(C)(C)C(=O)NCCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609730393 1078523904 /nfs/dbraw/zinc/52/39/04/1078523904.db2.gz XDFHVBICJVLAGD-UHFFFAOYSA-N 0 0 414.484 0.932 20 5 HCBDRN COCCn1cc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000609730415 1078523794 /nfs/dbraw/zinc/52/37/94/1078523794.db2.gz YKZFWTCGZHDJOD-UHFFFAOYSA-N 0 0 424.435 0.111 20 5 HCBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000609731492 1078524550 /nfs/dbraw/zinc/52/45/50/1078524550.db2.gz YMKAGAXZNKUSRX-UHFFFAOYSA-N 0 0 423.817 0.375 20 5 HCBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC(=O)NCCN1CCOCC1 ZINC000609732339 1078524328 /nfs/dbraw/zinc/52/43/28/1078524328.db2.gz RLSJKNHFOMFDMG-UHFFFAOYSA-N 0 0 414.846 0.582 20 5 HCBDRN Cc1nnc2n1C[C@@H](CNC(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)CC2 ZINC000609734194 1078532493 /nfs/dbraw/zinc/53/24/93/1078532493.db2.gz YVSUULKLKIFZJP-GFCCVEGCSA-N 0 0 400.395 0.599 20 5 HCBDRN Cc1nnc2n1C[C@H](CNC(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)CC2 ZINC000609734195 1078532685 /nfs/dbraw/zinc/53/26/85/1078532685.db2.gz YVSUULKLKIFZJP-LBPRGKRZSA-N 0 0 400.395 0.599 20 5 HCBDRN Cc1nnc2n1C[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000609734314 1078532552 /nfs/dbraw/zinc/53/25/52/1078532552.db2.gz HBOUATITUXFAPI-AWEZNQCLSA-N 0 0 401.427 0.673 20 5 HCBDRN Cc1nnc2n1C[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000609734315 1078532868 /nfs/dbraw/zinc/53/28/68/1078532868.db2.gz HBOUATITUXFAPI-CQSZACIVSA-N 0 0 401.427 0.673 20 5 HCBDRN O=C(CNC(=O)C1CCCCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736389 1078533908 /nfs/dbraw/zinc/53/39/08/1078533908.db2.gz AAFCYZHNEGBPRR-UHFFFAOYSA-N 0 0 412.468 0.686 20 5 HCBDRN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736405 1078533932 /nfs/dbraw/zinc/53/39/32/1078533932.db2.gz BVJFNBVEUHLMRU-CYBMUJFWSA-N 0 0 420.447 0.808 20 5 HCBDRN C[C@H](NC(=O)c1ccccc1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736406 1078533842 /nfs/dbraw/zinc/53/38/42/1078533842.db2.gz BVJFNBVEUHLMRU-ZDUSSCGKSA-N 0 0 420.447 0.808 20 5 HCBDRN CC(C)NC(=O)CCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736412 1078533800 /nfs/dbraw/zinc/53/38/00/1078533800.db2.gz CJVOQCSTAANHRU-UHFFFAOYSA-N 0 0 400.457 0.684 20 5 HCBDRN COC(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000609736516 1078533259 /nfs/dbraw/zinc/53/32/59/1078533259.db2.gz HYCJIKKZQIPYGU-UHFFFAOYSA-N 0 0 408.392 0.485 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1n[nH]c(=O)c2ccccc21 ZINC000609736537 1078533867 /nfs/dbraw/zinc/53/38/67/1078533867.db2.gz IWLOJNZXJSOPGB-UHFFFAOYSA-N 0 0 417.403 0.952 20 5 HCBDRN O=C(CNC(=O)Nc1ccccc1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736601 1078533269 /nfs/dbraw/zinc/53/32/69/1078533269.db2.gz MFJYURPUFLSXFU-UHFFFAOYSA-N 0 0 421.435 0.811 20 5 HCBDRN O=C(Cn1c(=O)[nH]c2ccccc21)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736618 1078533275 /nfs/dbraw/zinc/53/32/75/1078533275.db2.gz MPYCSSVYZBMDNI-UHFFFAOYSA-N 0 0 419.419 0.745 20 5 HCBDRN Cc1n[nH]c(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000609736795 1078534485 /nfs/dbraw/zinc/53/44/85/1078534485.db2.gz MYRDDEBJGINGGH-UHFFFAOYSA-N 0 0 422.467 0.492 20 5 HCBDRN COC(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000609736833 1078534354 /nfs/dbraw/zinc/53/43/54/1078534354.db2.gz NWNXXAHPHRIMQF-UHFFFAOYSA-N 0 0 408.392 0.485 20 5 HCBDRN Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000609736856 1078534447 /nfs/dbraw/zinc/53/44/47/1078534447.db2.gz OTSAZEHKKFDNNO-UHFFFAOYSA-N 0 0 406.420 0.936 20 5 HCBDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736879 1078534515 /nfs/dbraw/zinc/53/45/15/1078534515.db2.gz PRBMZADOKAGBEQ-LLVKDONJSA-N 0 0 400.457 0.540 20 5 HCBDRN C[C@H](NC(=O)C(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609736885 1078534380 /nfs/dbraw/zinc/53/43/80/1078534380.db2.gz PRBMZADOKAGBEQ-NSHDSACASA-N 0 0 400.457 0.540 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cncn2)c1 ZINC000609736893 1078534423 /nfs/dbraw/zinc/53/44/23/1078534423.db2.gz PUEULDSLXCKBKM-UHFFFAOYSA-N 0 0 416.419 0.884 20 5 HCBDRN Cc1nc(C)c(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000609736896 1078534364 /nfs/dbraw/zinc/53/43/64/1078534364.db2.gz PVEDDPHXPOHLKG-UHFFFAOYSA-N 0 0 409.424 0.344 20 5 HCBDRN COc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000609736950 1078534335 /nfs/dbraw/zinc/53/43/35/1078534335.db2.gz RSJCLWHSDZURJF-UHFFFAOYSA-N 0 0 422.419 0.637 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@]12CCC(=O)N1CCS2 ZINC000609737017 1078534435 /nfs/dbraw/zinc/53/44/35/1078534435.db2.gz UFVTUBGSSOHVAP-HNNXBMFYSA-N 0 0 414.465 0.055 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]12CCC(=O)N1CCS2 ZINC000609737023 1078534302 /nfs/dbraw/zinc/53/43/02/1078534302.db2.gz UFVTUBGSSOHVAP-OAHLLOKOSA-N 0 0 414.465 0.055 20 5 HCBDRN O=C(CN1Cc2ccccc2C1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609737024 1078534312 /nfs/dbraw/zinc/53/43/12/1078534312.db2.gz UHCDELZPUNFYPI-UHFFFAOYSA-N 0 0 418.431 0.645 20 5 HCBDRN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000609737041 1078534410 /nfs/dbraw/zinc/53/44/10/1078534410.db2.gz VNEAFKGFROXRBI-UHFFFAOYSA-N 0 0 407.452 0.789 20 5 HCBDRN CC(C)CCC(=O)NCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609737114 1078534501 /nfs/dbraw/zinc/53/45/01/1078534501.db2.gz YTQFPWQZPYCIRV-UHFFFAOYSA-N 0 0 400.457 0.542 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2cnnn2)cc1 ZINC000609737123 1078534321 /nfs/dbraw/zinc/53/43/21/1078534321.db2.gz ZQHXOSJEGMFATK-UHFFFAOYSA-N 0 0 417.407 0.279 20 5 HCBDRN COCCOC1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609737147 1078534342 /nfs/dbraw/zinc/53/43/42/1078534342.db2.gz CLBAIWKSPRDTTM-UHFFFAOYSA-N 0 0 415.468 0.917 20 5 HCBDRN Cc1cc(=O)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000609737300 1078534467 /nfs/dbraw/zinc/53/44/67/1078534467.db2.gz BMMCFIDATFHKHB-GFCCVEGCSA-N 0 0 421.435 0.213 20 5 HCBDRN Cc1cc(=O)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000609737304 1078533920 /nfs/dbraw/zinc/53/39/20/1078533920.db2.gz BMMCFIDATFHKHB-LBPRGKRZSA-N 0 0 421.435 0.213 20 5 HCBDRN COc1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000609737428 1078533775 /nfs/dbraw/zinc/53/37/75/1078533775.db2.gz HVZGQJWQGXCORH-MRVPVSSYSA-N 0 0 409.367 0.969 20 5 HCBDRN COc1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000609737429 1078533857 /nfs/dbraw/zinc/53/38/57/1078533857.db2.gz HVZGQJWQGXCORH-QMMMGPOBSA-N 0 0 409.367 0.969 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000609737545 1078533731 /nfs/dbraw/zinc/53/37/31/1078533731.db2.gz LWOBYILUAPNJPV-GDBMZVCRSA-N 0 0 424.479 0.658 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000609737546 1078533768 /nfs/dbraw/zinc/53/37/68/1078533768.db2.gz LWOBYILUAPNJPV-GOEBONIOSA-N 0 0 424.479 0.658 20 5 HCBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000609737548 1078533746 /nfs/dbraw/zinc/53/37/46/1078533746.db2.gz LWOBYILUAPNJPV-ZBFHGGJFSA-N 0 0 424.479 0.658 20 5 HCBDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609737686 1078533881 /nfs/dbraw/zinc/53/38/81/1078533881.db2.gz VWJPFFDTCQILEJ-GHMZBOCLSA-N 0 0 416.481 0.411 20 5 HCBDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609737688 1078533828 /nfs/dbraw/zinc/53/38/28/1078533828.db2.gz VWJPFFDTCQILEJ-MNOVXSKESA-N 0 0 416.481 0.411 20 5 HCBDRN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609737689 1078533673 /nfs/dbraw/zinc/53/36/73/1078533673.db2.gz VWJPFFDTCQILEJ-QWRGUYRKSA-N 0 0 416.481 0.411 20 5 HCBDRN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609737690 1078533722 /nfs/dbraw/zinc/53/37/22/1078533722.db2.gz VWJPFFDTCQILEJ-WDEREUQCSA-N 0 0 416.481 0.411 20 5 HCBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000609737707 1078533755 /nfs/dbraw/zinc/53/37/55/1078533755.db2.gz WZFRAFISSWIJRG-NSHDSACASA-N 0 0 417.440 0.392 20 5 HCBDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000609737723 1078533791 /nfs/dbraw/zinc/53/37/91/1078533791.db2.gz XHTRWBWKVULFCF-LLVKDONJSA-N 0 0 412.424 0.433 20 5 HCBDRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000609738440 1078534402 /nfs/dbraw/zinc/53/44/02/1078534402.db2.gz PWPSBOANWCMUMG-UHFFFAOYSA-N 0 0 400.317 0.980 20 5 HCBDRN COCc1cc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n2ncnc2n1 ZINC000609738937 1078534872 /nfs/dbraw/zinc/53/48/72/1078534872.db2.gz YDDOZVJUCQAOOJ-UHFFFAOYSA-N 0 0 407.412 0.569 20 5 HCBDRN CCCN(CC1CC1)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740199 1078534995 /nfs/dbraw/zinc/53/49/95/1078534995.db2.gz BXKUZRBBTGVQJV-UHFFFAOYSA-N 0 0 420.513 0.830 20 5 HCBDRN CC1CCN(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609740221 1078534819 /nfs/dbraw/zinc/53/48/19/1078534819.db2.gz DEGCFSRVJPMWLS-UHFFFAOYSA-N 0 0 406.486 0.439 20 5 HCBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)C[C@H]1CCCCO1 ZINC000609740399 1078534883 /nfs/dbraw/zinc/53/48/83/1078534883.db2.gz OFKINKANTXQZQK-GFCCVEGCSA-N 0 0 407.470 0.362 20 5 HCBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)C[C@@H]1CCCCO1 ZINC000609740406 1078534837 /nfs/dbraw/zinc/53/48/37/1078534837.db2.gz OFKINKANTXQZQK-LBPRGKRZSA-N 0 0 407.470 0.362 20 5 HCBDRN C[C@@H]1CCCN(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609740510 1078534810 /nfs/dbraw/zinc/53/48/10/1078534810.db2.gz ROOFIHWGMCLYKU-GFCCVEGCSA-N 0 0 406.486 0.439 20 5 HCBDRN C[C@H]1CCCN(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609740511 1078534929 /nfs/dbraw/zinc/53/49/29/1078534929.db2.gz ROOFIHWGMCLYKU-LBPRGKRZSA-N 0 0 406.486 0.439 20 5 HCBDRN C[C@@H]1CCCCN1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740515 1078534918 /nfs/dbraw/zinc/53/49/18/1078534918.db2.gz SIZPJJURMHFYSG-GFCCVEGCSA-N 0 0 406.486 0.582 20 5 HCBDRN C[C@H]1CCCCN1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740516 1078535007 /nfs/dbraw/zinc/53/50/07/1078535007.db2.gz SIZPJJURMHFYSG-LBPRGKRZSA-N 0 0 406.486 0.582 20 5 HCBDRN Cc1nn(C)c(C)c1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740521 1078534782 /nfs/dbraw/zinc/53/47/82/1078534782.db2.gz SYOWIEJDVDAFMV-UHFFFAOYSA-N 0 0 417.469 0.202 20 5 HCBDRN Cc1noc(C)c1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740530 1078534976 /nfs/dbraw/zinc/53/49/76/1078534976.db2.gz VMOVYMHCFYNXPO-UHFFFAOYSA-N 0 0 404.426 0.456 20 5 HCBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1F ZINC000609740539 1078534861 /nfs/dbraw/zinc/53/48/61/1078534861.db2.gz XBUVPRXLAFRSBS-UHFFFAOYSA-N 0 0 403.413 0.991 20 5 HCBDRN COc1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609740548 1078534776 /nfs/dbraw/zinc/53/47/76/1078534776.db2.gz YRJDQFSLACPYKL-UHFFFAOYSA-N 0 0 415.449 0.860 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000609741810 1078526933 /nfs/dbraw/zinc/52/69/33/1078526933.db2.gz HCNNRJLVYJEFCB-UHFFFAOYSA-N 0 0 417.403 0.540 20 5 HCBDRN CC(C)(C)NC(=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609741918 1078527448 /nfs/dbraw/zinc/52/74/48/1078527448.db2.gz JBWZORVNDXCFEX-UHFFFAOYSA-N 0 0 415.472 0.477 20 5 HCBDRN O=C(CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CCCC1 ZINC000609742082 1078527530 /nfs/dbraw/zinc/52/75/30/1078527530.db2.gz RRYUOILDKSUTAJ-UHFFFAOYSA-N 0 0 413.456 0.231 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1nnc2n1CCCC2 ZINC000609742118 1078527545 /nfs/dbraw/zinc/52/75/45/1078527545.db2.gz VTUFVMXDRQUELU-UHFFFAOYSA-N 0 0 423.455 0.300 20 5 HCBDRN Cc1nn(C)cc1[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742142 1078527367 /nfs/dbraw/zinc/52/73/67/1078527367.db2.gz YUBLHTLJNDRRHL-LLVKDONJSA-N 0 0 410.456 0.975 20 5 HCBDRN Cc1nn(C)cc1[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742143 1078527646 /nfs/dbraw/zinc/52/76/46/1078527646.db2.gz YUBLHTLJNDRRHL-NSHDSACASA-N 0 0 410.456 0.975 20 5 HCBDRN COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000609742196 1078527496 /nfs/dbraw/zinc/52/74/96/1078527496.db2.gz GTHDHDUGMDOSJD-UHFFFAOYSA-N 0 0 409.424 0.776 20 5 HCBDRN COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000609742252 1078527326 /nfs/dbraw/zinc/52/73/26/1078527326.db2.gz OCAQMCIYKHNQFD-UHFFFAOYSA-N 0 0 409.424 0.776 20 5 HCBDRN CC(C)(C)NC(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742258 1078527348 /nfs/dbraw/zinc/52/73/48/1078527348.db2.gz OYCICCKPMDOTCO-UHFFFAOYSA-N 0 0 401.445 0.087 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOC[C@@H]1CCOC1 ZINC000609742364 1078527262 /nfs/dbraw/zinc/52/72/62/1078527262.db2.gz FNOZNYWUUWFCOC-CYBMUJFWSA-N 0 0 416.456 0.225 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOC[C@H]1CCOC1 ZINC000609742365 1078526751 /nfs/dbraw/zinc/52/67/51/1078526751.db2.gz FNOZNYWUUWFCOC-ZDUSSCGKSA-N 0 0 416.456 0.225 20 5 HCBDRN C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000609742480 1078526768 /nfs/dbraw/zinc/52/67/68/1078526768.db2.gz TWQFJPPRQKVMKH-LLVKDONJSA-N 0 0 423.455 0.471 20 5 HCBDRN C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000609742481 1078526905 /nfs/dbraw/zinc/52/69/05/1078526905.db2.gz TWQFJPPRQKVMKH-NSHDSACASA-N 0 0 423.455 0.471 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOC[C@H]1CCCO1 ZINC000609742493 1078526677 /nfs/dbraw/zinc/52/66/77/1078526677.db2.gz WCZHXNHAGKMVPX-CYBMUJFWSA-N 0 0 416.456 0.368 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOC[C@@H]1CCCO1 ZINC000609742494 1078526651 /nfs/dbraw/zinc/52/66/51/1078526651.db2.gz WCZHXNHAGKMVPX-ZDUSSCGKSA-N 0 0 416.456 0.368 20 5 HCBDRN C[S@@](=O)CCCNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609742509 1078526795 /nfs/dbraw/zinc/52/67/95/1078526795.db2.gz XWOAYBYCXGCZFY-RUZDIDTESA-N 0 0 406.486 0.478 20 5 HCBDRN C[S@](=O)CCCNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609742510 1078526785 /nfs/dbraw/zinc/52/67/85/1078526785.db2.gz XWOAYBYCXGCZFY-VWLOTQADSA-N 0 0 406.486 0.478 20 5 HCBDRN C[S@@](=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609742766 1078528103 /nfs/dbraw/zinc/52/81/03/1078528103.db2.gz ASMCNTXKSTUOPU-AREMUKBSSA-N 0 0 418.497 0.379 20 5 HCBDRN C[S@](=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609742767 1078527990 /nfs/dbraw/zinc/52/79/90/1078527990.db2.gz ASMCNTXKSTUOPU-SANMLTNESA-N 0 0 418.497 0.379 20 5 HCBDRN C[S@@](=O)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609742916 1078528702 /nfs/dbraw/zinc/52/87/02/1078528702.db2.gz YKLWSDBDJDMABU-AREMUKBSSA-N 0 0 418.497 0.379 20 5 HCBDRN C[S@](=O)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609742917 1078528140 /nfs/dbraw/zinc/52/81/40/1078528140.db2.gz YKLWSDBDJDMABU-SANMLTNESA-N 0 0 418.497 0.379 20 5 HCBDRN O=C(CNC(=O)c1ccc(O)cc1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743286 1078527918 /nfs/dbraw/zinc/52/79/18/1078527918.db2.gz RTUCKBLKAUOIBI-UHFFFAOYSA-N 0 0 422.419 0.125 20 5 HCBDRN O=C(CNC(=O)c1ccsc1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743373 1078528164 /nfs/dbraw/zinc/52/81/64/1078528164.db2.gz GMPKRGPCENICKW-UHFFFAOYSA-N 0 0 412.449 0.481 20 5 HCBDRN O=C(CNC(=O)c1cccc(F)c1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743397 1078528181 /nfs/dbraw/zinc/52/81/81/1078528181.db2.gz JXSZCQPNMGDFIN-UHFFFAOYSA-N 0 0 424.410 0.558 20 5 HCBDRN O=C(CNC(=O)c1ccccc1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609743403 1078528042 /nfs/dbraw/zinc/52/80/42/1078528042.db2.gz KEYSFPNEKDCJAX-UHFFFAOYSA-N 0 0 406.420 0.419 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOCC(F)(F)F ZINC000609744885 1078528536 /nfs/dbraw/zinc/52/85/36/1078528536.db2.gz OHECDPCHFAPKCT-UHFFFAOYSA-N 0 0 414.362 0.751 20 5 HCBDRN O=C(NCCNc1ccccn1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609745258 1078528787 /nfs/dbraw/zinc/52/87/87/1078528787.db2.gz CFPPXHNTWITZHF-UHFFFAOYSA-N 0 0 408.440 0.679 20 5 HCBDRN O=C(NCCCN1CCCC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609745350 1078528685 /nfs/dbraw/zinc/52/86/85/1078528685.db2.gz IKQSQPOJMSBNEO-UHFFFAOYSA-N 0 0 413.456 0.185 20 5 HCBDRN Cc1n[nH]cc1CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609745426 1078528723 /nfs/dbraw/zinc/52/87/23/1078528723.db2.gz NDFGYGBLBBSGBP-UHFFFAOYSA-N 0 0 410.456 0.837 20 5 HCBDRN COc1cccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000609745926 1078530082 /nfs/dbraw/zinc/53/00/82/1078530082.db2.gz DNCFVFZRYWUBHI-UHFFFAOYSA-N 0 0 409.424 0.776 20 5 HCBDRN Cc1nc(C(C)(C)NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000609746191 1078529225 /nfs/dbraw/zinc/52/92/25/1078529225.db2.gz LPKDEBJQQVWEGM-UHFFFAOYSA-N 0 0 412.428 0.799 20 5 HCBDRN Cc1nc2n(n1)C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000609746222 1078529362 /nfs/dbraw/zinc/52/93/62/1078529362.db2.gz MUWHZDVORBIXFL-GFCCVEGCSA-N 0 0 423.455 0.087 20 5 HCBDRN Cc1nc2n(n1)C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000609746223 1078529122 /nfs/dbraw/zinc/52/91/22/1078529122.db2.gz MUWHZDVORBIXFL-LBPRGKRZSA-N 0 0 423.455 0.087 20 5 HCBDRN C[C@H](CN1CCCC1=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609746375 1078529159 /nfs/dbraw/zinc/52/91/59/1078529159.db2.gz GHLDCIXPZMAJHB-GFCCVEGCSA-N 0 0 413.456 0.183 20 5 HCBDRN C[C@@H](CN1CCCC1=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609746376 1078529237 /nfs/dbraw/zinc/52/92/37/1078529237.db2.gz GHLDCIXPZMAJHB-LBPRGKRZSA-N 0 0 413.456 0.183 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1CCSCC1 ZINC000609746598 1078529383 /nfs/dbraw/zinc/52/93/83/1078529383.db2.gz BCVUUTFKFHLZPN-UHFFFAOYSA-N 0 0 417.513 0.221 20 5 HCBDRN CC(C)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000609747124 1078529822 /nfs/dbraw/zinc/52/98/22/1078529822.db2.gz KIZOYFGBPSHIMS-GFCCVEGCSA-N 0 0 413.456 0.182 20 5 HCBDRN CC(C)N1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000609747125 1078530047 /nfs/dbraw/zinc/53/00/47/1078530047.db2.gz KIZOYFGBPSHIMS-LBPRGKRZSA-N 0 0 413.456 0.182 20 5 HCBDRN CC(C)(C)CN(CCO)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609747817 1078529959 /nfs/dbraw/zinc/52/99/59/1078529959.db2.gz BQFBUKGOMMLZBR-UHFFFAOYSA-N 0 0 402.473 0.923 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1(O)CCCCC1 ZINC000609747869 1078531189 /nfs/dbraw/zinc/53/11/89/1078531189.db2.gz DEQSEAOVTJDORI-UHFFFAOYSA-N 0 0 400.457 0.868 20 5 HCBDRN CCn1cc(CN(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000609748038 1078530502 /nfs/dbraw/zinc/53/05/02/1078530502.db2.gz KXMGZJICERUTIQ-UHFFFAOYSA-N 0 0 410.456 0.931 20 5 HCBDRN CCN(C[C@H]1CCOC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748084 1078530475 /nfs/dbraw/zinc/53/04/75/1078530475.db2.gz NACUISOWJGZBCH-CYBMUJFWSA-N 0 0 400.457 0.941 20 5 HCBDRN CCN(C[C@@H]1CCOC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609748088 1078530585 /nfs/dbraw/zinc/53/05/85/1078530585.db2.gz NACUISOWJGZBCH-ZDUSSCGKSA-N 0 0 400.457 0.941 20 5 HCBDRN CC(=O)NC1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609748192 1078530626 /nfs/dbraw/zinc/53/06/26/1078530626.db2.gz UNECHGZPHLMXIG-UHFFFAOYSA-N 0 0 413.456 0.183 20 5 HCBDRN CC(=O)N1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609748235 1078530394 /nfs/dbraw/zinc/53/03/94/1078530394.db2.gz WVOVEETVDIWMGB-UHFFFAOYSA-N 0 0 413.456 0.137 20 5 HCBDRN COc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000609749256 1078532048 /nfs/dbraw/zinc/53/20/48/1078532048.db2.gz DTAZOEWZUYNPLE-UHFFFAOYSA-N 0 0 422.419 0.637 20 5 HCBDRN COc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609749298 1078531859 /nfs/dbraw/zinc/53/18/59/1078531859.db2.gz LPQKMHFPLMFKJJ-UHFFFAOYSA-N 0 0 422.419 0.637 20 5 HCBDRN COc1ccncc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609749331 1078532015 /nfs/dbraw/zinc/53/20/15/1078532015.db2.gz QBGMRLSQDIHWEC-UHFFFAOYSA-N 0 0 423.407 0.032 20 5 HCBDRN C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000609751434 1078532581 /nfs/dbraw/zinc/53/25/81/1078532581.db2.gz DRXUWCBLMZBQOH-LLVKDONJSA-N 0 0 415.472 0.476 20 5 HCBDRN C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000609751435 1078532701 /nfs/dbraw/zinc/53/27/01/1078532701.db2.gz DRXUWCBLMZBQOH-NSHDSACASA-N 0 0 415.472 0.476 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(CC(F)F)CC1 ZINC000609752610 1078532843 /nfs/dbraw/zinc/53/28/43/1078532843.db2.gz NYQXOTPQGHHMSQ-UHFFFAOYSA-N 0 0 421.426 0.465 20 5 HCBDRN O=C(COC1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609753513 1078535960 /nfs/dbraw/zinc/53/59/60/1078535960.db2.gz AXNCKRGWXNTVEO-UHFFFAOYSA-N 0 0 413.452 0.623 20 5 HCBDRN CC(C)[C@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609753713 1078536039 /nfs/dbraw/zinc/53/60/39/1078536039.db2.gz SNQRQESBTDIMKE-AWEZNQCLSA-N 0 0 413.456 0.039 20 5 HCBDRN CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609753714 1078536019 /nfs/dbraw/zinc/53/60/19/1078536019.db2.gz SNQRQESBTDIMKE-CQSZACIVSA-N 0 0 413.456 0.039 20 5 HCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(CCO)CC1 ZINC000609753752 1078536648 /nfs/dbraw/zinc/53/66/48/1078536648.db2.gz UVFUWZDXWLOOOI-UHFFFAOYSA-N 0 0 400.457 0.677 20 5 HCBDRN Cc1nnc2n1C[C@H](CNC(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)CC2 ZINC000609754680 1078536656 /nfs/dbraw/zinc/53/66/56/1078536656.db2.gz YFFLNJDLCVTQAY-AWEZNQCLSA-N 0 0 400.443 0.984 20 5 HCBDRN Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)CC2 ZINC000609754681 1078536487 /nfs/dbraw/zinc/53/64/87/1078536487.db2.gz YFFLNJDLCVTQAY-CQSZACIVSA-N 0 0 400.443 0.984 20 5 HCBDRN COC(=O)C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000609761439 1078537023 /nfs/dbraw/zinc/53/70/23/1078537023.db2.gz KUSHUUHSGJTUJZ-SECBINFHSA-N 0 0 401.759 0.199 20 5 HCBDRN COC(=O)C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000609761444 1078537651 /nfs/dbraw/zinc/53/76/51/1078537651.db2.gz KUSHUUHSGJTUJZ-VIFPVBQESA-N 0 0 401.759 0.199 20 5 HCBDRN O=C(COC1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609761654 1078536998 /nfs/dbraw/zinc/53/69/98/1078536998.db2.gz SUQJUIQVIWLEGP-UHFFFAOYSA-N 0 0 413.452 0.623 20 5 HCBDRN COCCNC(=O)CN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000609761665 1078537053 /nfs/dbraw/zinc/53/70/53/1078537053.db2.gz UOJKDMJIPOODDF-UHFFFAOYSA-N 0 0 417.422 0.369 20 5 HCBDRN CN(C)C(=O)[C@H]1CSCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609762264 1078537688 /nfs/dbraw/zinc/53/76/88/1078537688.db2.gz GGSYBNNSDVSLQH-LLVKDONJSA-N 0 0 400.844 0.968 20 5 HCBDRN CN(C)C(=O)[C@@H]1CSCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609762266 1078537528 /nfs/dbraw/zinc/53/75/28/1078537528.db2.gz GGSYBNNSDVSLQH-NSHDSACASA-N 0 0 400.844 0.968 20 5 HCBDRN CN(C)S(=O)(=O)N1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000609766466 1078537698 /nfs/dbraw/zinc/53/76/98/1078537698.db2.gz RDLYRBUWSFEZNQ-UHFFFAOYSA-N 0 0 413.456 0.317 20 5 HCBDRN NS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609766649 1078537643 /nfs/dbraw/zinc/53/76/43/1078537643.db2.gz YIAWNMOBCGSGFH-SECBINFHSA-N 0 0 404.832 0.258 20 5 HCBDRN NS(=O)(=O)C[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609766650 1078537661 /nfs/dbraw/zinc/53/76/61/1078537661.db2.gz YIAWNMOBCGSGFH-VIFPVBQESA-N 0 0 404.832 0.258 20 5 HCBDRN CN1CCN(C(=O)CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000609766666 1078537561 /nfs/dbraw/zinc/53/75/61/1078537561.db2.gz ZXZDJOGNTBYVGP-UHFFFAOYSA-N 0 0 411.846 0.258 20 5 HCBDRN O=C(CN1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1)NC1CC1 ZINC000609770809 1078535667 /nfs/dbraw/zinc/53/56/67/1078535667.db2.gz FHKBCRDTUMZBJB-UHFFFAOYSA-N 0 0 403.439 0.789 20 5 HCBDRN CC(C)NC(=O)C(=O)N1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609770917 1078536047 /nfs/dbraw/zinc/53/60/47/1078536047.db2.gz KSMZUCSNNGCCDB-UHFFFAOYSA-N 0 0 419.438 0.562 20 5 HCBDRN CCCc1n[nH]c(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000609771674 1078536066 /nfs/dbraw/zinc/53/60/66/1078536066.db2.gz VVOFSQKGISOBSX-CYBMUJFWSA-N 0 0 408.459 0.276 20 5 HCBDRN CCCc1n[nH]c(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000609771675 1078535584 /nfs/dbraw/zinc/53/55/84/1078535584.db2.gz VVOFSQKGISOBSX-ZDUSSCGKSA-N 0 0 408.459 0.276 20 5 HCBDRN CC(C)(C)C[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609775884 1078540694 /nfs/dbraw/zinc/54/06/94/1078540694.db2.gz TYFFNAPMJUXHCD-CYBMUJFWSA-N 0 0 402.473 0.969 20 5 HCBDRN CC(C)(C)C[C@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609775885 1078540594 /nfs/dbraw/zinc/54/05/94/1078540594.db2.gz TYFFNAPMJUXHCD-ZDUSSCGKSA-N 0 0 402.473 0.969 20 5 HCBDRN CC(C)(C)C[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609778446 1078540821 /nfs/dbraw/zinc/54/08/21/1078540821.db2.gz JRCDAIJTRDQTRO-GFCCVEGCSA-N 0 0 402.473 0.969 20 5 HCBDRN CC(C)(C)C[C@H](O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609778448 1078540645 /nfs/dbraw/zinc/54/06/45/1078540645.db2.gz JRCDAIJTRDQTRO-LBPRGKRZSA-N 0 0 402.473 0.969 20 5 HCBDRN O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609778455 1078540747 /nfs/dbraw/zinc/54/07/47/1078540747.db2.gz QZRVXRAGGNUOBK-UHFFFAOYSA-N 0 0 424.417 0.563 20 5 HCBDRN CS(=O)(=O)c1ccc(NCCNC(=O)COC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609783772 1078541892 /nfs/dbraw/zinc/54/18/92/1078541892.db2.gz WYZDTHZKBQYLOD-GFCCVEGCSA-N 0 0 401.441 0.580 20 5 HCBDRN CS(=O)(=O)c1ccc(NCCNC(=O)COC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609783773 1078541736 /nfs/dbraw/zinc/54/17/36/1078541736.db2.gz WYZDTHZKBQYLOD-LBPRGKRZSA-N 0 0 401.441 0.580 20 5 HCBDRN O=C(COC[C@H]1CCOC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609784101 1078541784 /nfs/dbraw/zinc/54/17/84/1078541784.db2.gz XJGUBFYPJHEPJE-AWEZNQCLSA-N 0 0 413.452 0.481 20 5 HCBDRN O=C(COC[C@@H]1CCOC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609784102 1078541655 /nfs/dbraw/zinc/54/16/55/1078541655.db2.gz XJGUBFYPJHEPJE-CQSZACIVSA-N 0 0 413.452 0.481 20 5 HCBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000609785163 1078541880 /nfs/dbraw/zinc/54/18/80/1078541880.db2.gz MQFFPKXNMRSSDS-GHMZBOCLSA-N 0 0 417.871 0.846 20 5 HCBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000609785165 1078541769 /nfs/dbraw/zinc/54/17/69/1078541769.db2.gz MQFFPKXNMRSSDS-QWRGUYRKSA-N 0 0 417.871 0.846 20 5 HCBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000609785166 1078541642 /nfs/dbraw/zinc/54/16/42/1078541642.db2.gz MQFFPKXNMRSSDS-WDEREUQCSA-N 0 0 417.871 0.846 20 5 HCBDRN Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2=O)cn1 ZINC000609788516 1078542308 /nfs/dbraw/zinc/54/23/08/1078542308.db2.gz BUTWRJGCNWCCLM-CHWSQXEVSA-N 0 0 416.394 0.448 20 5 HCBDRN 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1078555241 /nfs/dbraw/zinc/55/52/41/1078555241.db2.gz UBRLYUXDLUAGHB-UHFFFAOYSA-N 0 0 410.456 0.771 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000609840210 1078555280 /nfs/dbraw/zinc/55/52/80/1078555280.db2.gz FTCCKTJWNRCGCR-AWEZNQCLSA-N 0 0 424.483 0.834 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000609840216 1078554962 /nfs/dbraw/zinc/55/49/62/1078554962.db2.gz FTCCKTJWNRCGCR-CQSZACIVSA-N 0 0 424.483 0.834 20 5 HCBDRN CNC(=O)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)cc1 ZINC000609840224 1078554940 /nfs/dbraw/zinc/55/49/40/1078554940.db2.gz BEESKSWIAOFQFG-UHFFFAOYSA-N 0 0 406.420 0.840 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000609840312 1078555005 /nfs/dbraw/zinc/55/50/05/1078555005.db2.gz GGOIWAKBIRALFN-CABCVRRESA-N 0 0 422.486 0.925 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000609840313 1078555027 /nfs/dbraw/zinc/55/50/27/1078555027.db2.gz GGOIWAKBIRALFN-GJZGRUSLSA-N 0 0 422.486 0.925 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000609840314 1078555067 /nfs/dbraw/zinc/55/50/67/1078555067.db2.gz GGOIWAKBIRALFN-HUUCEWRRSA-N 0 0 422.486 0.925 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000609840315 1078554970 /nfs/dbraw/zinc/55/49/70/1078554970.db2.gz GGOIWAKBIRALFN-LSDHHAIUSA-N 0 0 422.486 0.925 20 5 HCBDRN Cc1c(C(=O)N2CCN(c3ccccn3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840445 1078554996 /nfs/dbraw/zinc/55/49/96/1078554996.db2.gz MASWMEWAXAWPCC-UHFFFAOYSA-N 0 0 405.436 0.908 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000609840474 1078554906 /nfs/dbraw/zinc/55/49/06/1078554906.db2.gz NMBWHUZAFFVYAQ-KBPBESRZSA-N 0 0 408.459 0.677 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000609840475 1078555011 /nfs/dbraw/zinc/55/50/11/1078555011.db2.gz NMBWHUZAFFVYAQ-KGLIPLIRSA-N 0 0 408.459 0.677 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000609840476 1078555050 /nfs/dbraw/zinc/55/50/50/1078555050.db2.gz NMBWHUZAFFVYAQ-UONOGXRCSA-N 0 0 408.459 0.677 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000609840477 1078554987 /nfs/dbraw/zinc/55/49/87/1078554987.db2.gz NMBWHUZAFFVYAQ-ZIAGYGMSSA-N 0 0 408.459 0.677 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000609840902 1078555803 /nfs/dbraw/zinc/55/58/03/1078555803.db2.gz VOZKTZTYUQLVHX-GFCCVEGCSA-N 0 0 402.477 0.321 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000609840903 1078555940 /nfs/dbraw/zinc/55/59/40/1078555940.db2.gz VOZKTZTYUQLVHX-LBPRGKRZSA-N 0 0 402.477 0.321 20 5 HCBDRN Cc1c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840923 1078555752 /nfs/dbraw/zinc/55/57/52/1078555752.db2.gz WXNNTRUYMULJSZ-INIZCTEOSA-N 0 0 414.484 0.637 20 5 HCBDRN Cc1c(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840924 1078555829 /nfs/dbraw/zinc/55/58/29/1078555829.db2.gz WXNNTRUYMULJSZ-MRXNPFEDSA-N 0 0 414.484 0.637 20 5 HCBDRN Cc1c(C(=O)NCCc2nnc3n2CCCCC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840925 1078555888 /nfs/dbraw/zinc/55/58/88/1078555888.db2.gz WYDTXTYOOALVST-UHFFFAOYSA-N 0 0 422.467 0.841 20 5 HCBDRN Cc1c(C(=O)NCCNC(=O)c2ccccc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840974 1078555936 /nfs/dbraw/zinc/55/59/36/1078555936.db2.gz ZCIRKBZCODTXBR-UHFFFAOYSA-N 0 0 406.420 0.710 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000609841147 1078555344 /nfs/dbraw/zinc/55/53/44/1078555344.db2.gz CXQRWCLYKCPERY-CYBMUJFWSA-N 0 0 410.456 0.791 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000609841148 1078555261 /nfs/dbraw/zinc/55/52/61/1078555261.db2.gz CXQRWCLYKCPERY-ZDUSSCGKSA-N 0 0 410.456 0.791 20 5 HCBDRN Cc1c(C(=O)N2CCC(NC(=O)C(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841234 1078555351 /nfs/dbraw/zinc/55/53/51/1078555351.db2.gz IZKUQBSDKDIESN-UHFFFAOYSA-N 0 0 412.468 0.927 20 5 HCBDRN Cc1c(C(=O)NC2CCN(c3ncccn3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841365 1078555391 /nfs/dbraw/zinc/55/53/91/1078555391.db2.gz RXICABSBZVLVAZ-UHFFFAOYSA-N 0 0 420.451 0.739 20 5 HCBDRN Cc1c(C(=O)N2CCN(c3nccs3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841421 1078555399 /nfs/dbraw/zinc/55/53/99/1078555399.db2.gz CDZCNXFHQZDHAO-UHFFFAOYSA-N 0 0 411.465 0.970 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000609841539 1078555322 /nfs/dbraw/zinc/55/53/22/1078555322.db2.gz XDTUVLSGPUZPSH-NEPJUHHUSA-N 0 0 402.477 0.367 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000609841540 1078555267 /nfs/dbraw/zinc/55/52/67/1078555267.db2.gz XDTUVLSGPUZPSH-NWDGAFQWSA-N 0 0 402.477 0.367 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000609841542 1078555361 /nfs/dbraw/zinc/55/53/61/1078555361.db2.gz XDTUVLSGPUZPSH-VXGBXAGGSA-N 0 0 402.477 0.367 20 5 HCBDRN CCCNC(=O)CN1CCC(NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609841543 1078555308 /nfs/dbraw/zinc/55/53/08/1078555308.db2.gz XFBPJDUAUURNNC-HNNXBMFYSA-N 0 0 423.518 0.934 20 5 HCBDRN CCCNC(=O)CN1CCC(NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609841548 1078555365 /nfs/dbraw/zinc/55/53/65/1078555365.db2.gz XFBPJDUAUURNNC-OAHLLOKOSA-N 0 0 423.518 0.934 20 5 HCBDRN O=C(COCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1cccnc1 ZINC000609841692 1078555273 /nfs/dbraw/zinc/55/52/73/1078555273.db2.gz ZIYPPQMEZKWYLW-OAHLLOKOSA-N 0 0 414.422 0.731 20 5 HCBDRN Cc1c(C(=O)N2CCN(Cc3cccnc3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841747 1078555299 /nfs/dbraw/zinc/55/52/99/1078555299.db2.gz MOUVRMXGRPRCMJ-UHFFFAOYSA-N 0 0 419.463 0.904 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000609841788 1078555284 /nfs/dbraw/zinc/55/52/84/1078555284.db2.gz PFWVJAJVCTYTBV-AWEZNQCLSA-N 0 0 407.475 0.250 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000609841789 1078555381 /nfs/dbraw/zinc/55/53/81/1078555381.db2.gz PFWVJAJVCTYTBV-CQSZACIVSA-N 0 0 407.475 0.250 20 5 HCBDRN Cc1c(C(=O)N2CCN(Cc3ccncc3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841807 1078555290 /nfs/dbraw/zinc/55/52/90/1078555290.db2.gz PTUIZWBJZARVTM-UHFFFAOYSA-N 0 0 419.463 0.904 20 5 HCBDRN Cc1c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841889 1078556301 /nfs/dbraw/zinc/55/63/01/1078556301.db2.gz BODOJNKSFNAGPH-CYBMUJFWSA-N 0 0 424.479 0.929 20 5 HCBDRN Cc1c(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841890 1078556328 /nfs/dbraw/zinc/55/63/28/1078556328.db2.gz BODOJNKSFNAGPH-ZDUSSCGKSA-N 0 0 424.479 0.929 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000609842181 1078555789 /nfs/dbraw/zinc/55/57/89/1078555789.db2.gz PFKWVWVQVUMPAH-CYBMUJFWSA-N 0 0 423.474 0.023 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000609842182 1078555858 /nfs/dbraw/zinc/55/58/58/1078555858.db2.gz PFKWVWVQVUMPAH-ZDUSSCGKSA-N 0 0 423.474 0.023 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000609842281 1078555851 /nfs/dbraw/zinc/55/58/51/1078555851.db2.gz WJDHNLSKDNTGMY-CYBMUJFWSA-N 0 0 404.431 0.941 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000609842285 1078555811 /nfs/dbraw/zinc/55/58/11/1078555811.db2.gz WJDHNLSKDNTGMY-ZDUSSCGKSA-N 0 0 404.431 0.941 20 5 HCBDRN Cc1c(C(=O)NCCNC(=O)c2ccccc2F)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609842816 1078555820 /nfs/dbraw/zinc/55/58/20/1078555820.db2.gz AJWPBRRHTMXYFX-UHFFFAOYSA-N 0 0 424.410 0.850 20 5 HCBDRN Cc1c(C(=O)N[C@H](C)C(=O)NCc2ccccc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609843083 1078551558 /nfs/dbraw/zinc/55/15/58/1078551558.db2.gz HBXZJLRIBPDEIQ-GFCCVEGCSA-N 0 0 420.447 0.985 20 5 HCBDRN Cc1c(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609843084 1078551564 /nfs/dbraw/zinc/55/15/64/1078551564.db2.gz HBXZJLRIBPDEIQ-LBPRGKRZSA-N 0 0 420.447 0.985 20 5 HCBDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000609843343 1078551472 /nfs/dbraw/zinc/55/14/72/1078551472.db2.gz SDSVNMOZTNPNSV-GFCCVEGCSA-N 0 0 412.468 0.929 20 5 HCBDRN CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000609843344 1078551497 /nfs/dbraw/zinc/55/14/97/1078551497.db2.gz SDSVNMOZTNPNSV-LBPRGKRZSA-N 0 0 412.468 0.929 20 5 HCBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000609843598 1078551069 /nfs/dbraw/zinc/55/10/69/1078551069.db2.gz MHCLPBBPYDEVTB-HNNXBMFYSA-N 0 0 420.474 0.995 20 5 HCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000609843599 1078551117 /nfs/dbraw/zinc/55/11/17/1078551117.db2.gz MHCLPBBPYDEVTB-OAHLLOKOSA-N 0 0 420.474 0.995 20 5 HCBDRN Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c1 ZINC000609843736 1078551111 /nfs/dbraw/zinc/55/11/11/1078551111.db2.gz SVIUAPQCMPAKHF-UHFFFAOYSA-N 0 0 421.435 0.965 20 5 HCBDRN O=C(CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000609846052 1078552026 /nfs/dbraw/zinc/55/20/26/1078552026.db2.gz MFIDRYBYCOTYCE-CYBMUJFWSA-N 0 0 414.459 0.155 20 5 HCBDRN O=C(CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000609846053 1078551966 /nfs/dbraw/zinc/55/19/66/1078551966.db2.gz MFIDRYBYCOTYCE-ZDUSSCGKSA-N 0 0 414.459 0.155 20 5 HCBDRN O=C([C@@H](O)C1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609847161 1078552416 /nfs/dbraw/zinc/55/24/16/1078552416.db2.gz ORFNKYPLZBSTHA-INIZCTEOSA-N 0 0 413.452 0.215 20 5 HCBDRN 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C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000619821392 1078944186 /nfs/dbraw/zinc/94/41/86/1078944186.db2.gz XBCGHQAARAVGHV-CYBMUJFWSA-N 0 0 424.479 0.740 20 5 HCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000619821393 1078944275 /nfs/dbraw/zinc/94/42/75/1078944275.db2.gz XBCGHQAARAVGHV-ZDUSSCGKSA-N 0 0 424.479 0.740 20 5 HCBDRN CC1(C)SC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000619825153 1078944746 /nfs/dbraw/zinc/94/47/46/1078944746.db2.gz LFHWSCRHZKHLRF-JKOKRWQUSA-N 0 0 415.493 0.729 20 5 HCBDRN CC1(C)SC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000619825155 1078944620 /nfs/dbraw/zinc/94/46/20/1078944620.db2.gz LFHWSCRHZKHLRF-OSMZGAPFSA-N 0 0 415.493 0.729 20 5 HCBDRN CC1(C)SC[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000619825156 1078944592 /nfs/dbraw/zinc/94/45/92/1078944592.db2.gz LFHWSCRHZKHLRF-SCDSUCTJSA-N 0 0 415.493 0.729 20 5 HCBDRN 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000918191696 1078371277 /nfs/dbraw/zinc/37/12/77/1078371277.db2.gz JMOFJBBHGNGXLG-UHFFFAOYSA-N 0 0 403.413 0.991 20 5 HCBDRN O=C(C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000918192027 1078371374 /nfs/dbraw/zinc/37/13/74/1078371374.db2.gz WUYIBADIZHLIQF-UHFFFAOYSA-N 0 0 401.416 0.993 20 5 HCBDRN Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000918192087 1078371302 /nfs/dbraw/zinc/37/13/02/1078371302.db2.gz NOHQFXAPYFBYEL-UHFFFAOYSA-N 0 0 421.414 0.922 20 5 HCBDRN CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000918192112 1078371368 /nfs/dbraw/zinc/37/13/68/1078371368.db2.gz ONQRXDNRXSERMB-UHFFFAOYSA-N 0 0 402.404 0.091 20 5 HCBDRN O=C([C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1)N1CCOCC1 ZINC000918192539 1078371549 /nfs/dbraw/zinc/37/15/49/1078371549.db2.gz VOKDLVHYQPVVQG-GFCCVEGCSA-N 0 0 401.416 0.993 20 5 HCBDRN O=C([C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1)N1CCOCC1 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