smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)n1C ZINC000095446255 185367669 /nfs/dbraw/zinc/36/76/69/185367669.db2.gz LYJWULYSOYBDMR-UHFFFAOYSA-N 0 0 309.351 1.240 50 5 DDBARN Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)sc2nc1=O ZINC000002546653 282303661 /nfs/dbraw/zinc/30/36/61/282303661.db2.gz XOHYFIIZLCGGTK-UHFFFAOYSA-N 0 0 316.298 1.395 50 5 DDBARN NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000170606545 197788214 /nfs/dbraw/zinc/78/82/14/197788214.db2.gz UIXCZZPTXOSCMK-NSHDSACASA-N 0 0 319.239 1.040 50 5 DDBARN CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000072230306 191078523 /nfs/dbraw/zinc/07/85/23/191078523.db2.gz XCIJNSLMTZYBCN-UHFFFAOYSA-N 0 0 324.362 1.494 50 5 DDBARN CC(=O)Nc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000001428830 180865672 /nfs/dbraw/zinc/86/56/72/180865672.db2.gz KCPGPJPLQTYFSH-UHFFFAOYSA-N 0 0 317.305 1.697 50 5 DDBARN CN(C)c1ccc([N+](=O)[O-])c(OCC(=O)c2cnn(C)c2)c1 ZINC000079001471 353545631 /nfs/dbraw/zinc/54/56/31/353545631.db2.gz JSBBGZXMDMZROX-UHFFFAOYSA-N 0 0 304.306 1.656 50 5 DDBARN CC(C)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004412109 181108423 /nfs/dbraw/zinc/10/84/23/181108423.db2.gz AWKJTPNANHAMLZ-UHFFFAOYSA-N 0 0 304.306 1.077 50 5 DDBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCc1ccccc1 ZINC000004459434 181110390 /nfs/dbraw/zinc/11/03/90/181110390.db2.gz NMXHWBJFXJQAFO-UHFFFAOYSA-N 0 0 317.326 1.834 50 5 DDBARN Cc1ccc(NCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc1 ZINC000005185208 181214618 /nfs/dbraw/zinc/21/46/18/181214618.db2.gz NXBAJCUADWGBNB-UHFFFAOYSA-N 0 0 312.285 1.964 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007020424 181432059 /nfs/dbraw/zinc/43/20/59/181432059.db2.gz NCIBQSZCPOFXLS-JSGCOSHPSA-N 0 0 319.361 1.938 50 5 DDBARN CCn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21 ZINC000010157257 181658844 /nfs/dbraw/zinc/65/88/44/181658844.db2.gz PFYUIVAJDWEZKG-UHFFFAOYSA-N 0 0 312.285 1.680 50 5 DDBARN CC1=NCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019720691 182138486 /nfs/dbraw/zinc/13/84/86/182138486.db2.gz CKZRFIMAPWUENX-UHFFFAOYSA-N 0 0 303.727 1.671 50 5 DDBARN COc1cc(N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000267515370 206119085 /nfs/dbraw/zinc/11/90/85/206119085.db2.gz DBCVWHNGRMIFCA-SWLSCSKDSA-N 0 0 321.377 1.760 50 5 DDBARN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(C)(=O)=O)CC1 ZINC000024509227 182382857 /nfs/dbraw/zinc/38/28/57/182382857.db2.gz GGVADTMNHRDZLJ-LLVKDONJSA-N 0 0 313.379 1.233 50 5 DDBARN Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000042716998 183301940 /nfs/dbraw/zinc/30/19/40/183301940.db2.gz KQGXGDMLLWXTMU-UHFFFAOYSA-N 0 0 308.725 1.954 50 5 DDBARN Nc1nc(NC[C@H]2COc3ccccc3O2)ncc1[N+](=O)[O-] ZINC000058356879 184108257 /nfs/dbraw/zinc/10/82/57/184108257.db2.gz SCYGOHLZGQNSPL-QMMMGPOBSA-N 0 0 303.278 1.219 50 5 DDBARN CC(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000000080008 406619050 /nfs/dbraw/zinc/61/90/50/406619050.db2.gz PLWOASAEQXPWOP-UHFFFAOYSA-N 0 0 306.347 1.873 50 5 DDBARN CCC(=O)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 ZINC000002760686 406699432 /nfs/dbraw/zinc/69/94/32/406699432.db2.gz YFLCQNSFXRWXDO-JTQLQIEISA-N 0 0 300.336 1.389 50 5 DDBARN C[C@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000069394264 406705652 /nfs/dbraw/zinc/70/56/52/406705652.db2.gz TWFXORHIOLTYER-LLVKDONJSA-N 0 0 315.333 1.844 50 5 DDBARN O=[N+]([O-])c1cccnc1Nc1cnn(CCN2CCOCC2)c1 ZINC000069533288 406731346 /nfs/dbraw/zinc/73/13/46/406731346.db2.gz LHZSQSZILORPID-UHFFFAOYSA-N 0 0 318.337 1.262 50 5 DDBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000005930070 406735798 /nfs/dbraw/zinc/73/57/98/406735798.db2.gz VVFBCIUMGPLAFX-UHFFFAOYSA-N 0 0 300.318 1.812 50 5 DDBARN Nc1nc(NC2CCCCC2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000006238026 406738033 /nfs/dbraw/zinc/73/80/33/406738033.db2.gz XFTIWDSVRXMBDC-UHFFFAOYSA-N 0 0 322.369 1.548 50 5 DDBARN CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C31CCCCC1 ZINC000019320479 406885614 /nfs/dbraw/zinc/88/56/14/406885614.db2.gz VFWIXQPDVNKURO-UHFFFAOYSA-N 0 0 324.381 1.349 50 5 DDBARN O=[N+]([O-])c1nc[nH]c1-c1nnc(Nc2ccc3c(c2)OCO3)o1 ZINC000012375175 406844021 /nfs/dbraw/zinc/84/40/21/406844021.db2.gz LXHQXAUXZYNQRH-UHFFFAOYSA-N 0 0 316.233 1.840 50 5 DDBARN C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045799306 407050038 /nfs/dbraw/zinc/05/00/38/407050038.db2.gz GJUCYGHTTAPAEI-SNVBAGLBSA-N 0 0 300.336 1.145 50 5 DDBARN CCc1ccsc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000089289603 407130035 /nfs/dbraw/zinc/13/00/35/407130035.db2.gz HUXRXURIYWJRSH-UHFFFAOYSA-N 0 0 323.378 1.915 50 5 DDBARN Cc1cc(=O)[nH]c([C@@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000225726625 407603351 /nfs/dbraw/zinc/60/33/51/407603351.db2.gz KPGPOSKJSGPMAK-SNVBAGLBSA-N 0 0 315.333 1.913 50 5 DDBARN C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000242273793 407915703 /nfs/dbraw/zinc/91/57/03/407915703.db2.gz YFYHKKLXYXJTQC-CWKPULSASA-N 0 0 311.363 1.970 50 5 DDBARN O=C(Cn1cc(F)ccc1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000190751712 408313171 /nfs/dbraw/zinc/31/31/71/408313171.db2.gz MRFKXVUYQJFFPA-UHFFFAOYSA-N 0 0 317.276 1.485 50 5 DDBARN CC(C)NS(=O)(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285448177 409448650 /nfs/dbraw/zinc/44/86/50/409448650.db2.gz XTVCYIFFCQJWRN-UHFFFAOYSA-N 0 0 301.368 1.312 50 5 DDBARN Cc1ccnc(N2CCCN(c3cccnn3)CC2)c1[N+](=O)[O-] ZINC000265274297 278984224 /nfs/dbraw/zinc/98/42/24/278984224.db2.gz VIOAHTWUZQUNPK-UHFFFAOYSA-N 0 0 314.349 1.805 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000004832550 279178528 /nfs/dbraw/zinc/17/85/28/279178528.db2.gz WGQIDENZQJCDIA-BLTAXRJOSA-N 0 0 300.270 1.428 50 5 DDBARN Cc1n[nH]c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] ZINC000078996948 280190440 /nfs/dbraw/zinc/19/04/40/280190440.db2.gz OPSOYTLJWVFTQK-MNOVXSKESA-N 0 0 302.290 1.014 50 5 DDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)F ZINC000003321478 331479756 /nfs/dbraw/zinc/47/97/56/331479756.db2.gz PTJSUDMEPXSXQZ-UHFFFAOYSA-N 0 0 306.196 1.430 50 5 DDBARN Cc1cccc(CNC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)c1 ZINC000084210721 483991702 /nfs/dbraw/zinc/99/17/02/483991702.db2.gz WTOKJNKRGOKYNT-UHFFFAOYSA-N 0 0 315.329 1.690 50 5 DDBARN NS(=O)(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000012727264 490576038 /nfs/dbraw/zinc/57/60/38/490576038.db2.gz PKQIPNYSFQJDQS-UHFFFAOYSA-N 0 0 319.342 1.936 50 5 DDBARN Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])n1C ZINC000079042775 185148277 /nfs/dbraw/zinc/14/82/77/185148277.db2.gz UTYQEZGVCWUVKB-UHFFFAOYSA-N 0 0 302.334 1.970 50 5 DDBARN CCOC(=O)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272713074 210118001 /nfs/dbraw/zinc/11/80/01/210118001.db2.gz LAPXTWWKAYFLCD-UHFFFAOYSA-N 0 0 322.321 1.797 50 5 DDBARN COC(=O)c1cc(C(=O)NCc2ncc[nH]2)cc([N+](=O)[O-])c1 ZINC000072283643 191104436 /nfs/dbraw/zinc/10/44/36/191104436.db2.gz YUILPLSTRBNIDJ-UHFFFAOYSA-N 0 0 304.262 1.035 50 5 DDBARN CCOC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000000290982 180749790 /nfs/dbraw/zinc/74/97/90/180749790.db2.gz PKGOIUFDIOWLPB-UHFFFAOYSA-N 0 0 318.289 1.757 50 5 DDBARN CCn1cnc2c(nc(-c3ccc([N+](=O)[O-])cc3)c[n+]2[O-])c1=O ZINC000075271624 353357352 /nfs/dbraw/zinc/35/73/52/353357352.db2.gz SWTHRSMNKYRUHY-UHFFFAOYSA-N 0 0 313.273 1.020 50 5 DDBARN CCOc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000002796531 180958560 /nfs/dbraw/zinc/95/85/60/180958560.db2.gz XNXKZZJVEHOXBH-UHFFFAOYSA-N 0 0 304.306 1.620 50 5 DDBARN CNC(=O)c1ccc(N[C@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000079106237 353550221 /nfs/dbraw/zinc/55/02/21/353550221.db2.gz WLNIXVQRBAABLT-SSDOTTSWSA-N 0 0 305.294 1.819 50 5 DDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1cccs1 ZINC000003287954 181001117 /nfs/dbraw/zinc/00/11/17/181001117.db2.gz JSDRBOYCZIKOEH-UHFFFAOYSA-N 0 0 310.287 1.723 50 5 DDBARN COc1cc(C(C)=O)ccc1Oc1ncnc(N)c1[N+](=O)[O-] ZINC000003912715 181058045 /nfs/dbraw/zinc/05/80/45/181058045.db2.gz WVQVFUMKQJMKEY-UHFFFAOYSA-N 0 0 304.262 1.971 50 5 DDBARN COC(=O)c1ccc(Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)cc1 ZINC000004294270 181093476 /nfs/dbraw/zinc/09/34/76/181093476.db2.gz BABMIBQCFAFYFF-UHFFFAOYSA-N 0 0 320.261 1.843 50 5 DDBARN COC(=O)c1ccc(N[C@@H](C(=O)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000004668686 181134193 /nfs/dbraw/zinc/13/41/93/181134193.db2.gz RUJXDFJNMARSGE-GFCCVEGCSA-N 0 0 310.306 1.991 50 5 DDBARN Cc1c(NC(=O)N[C@@H](C)C2N=NC(=O)N2C)cccc1[N+](=O)[O-] ZINC000585141442 354814705 /nfs/dbraw/zinc/81/47/05/354814705.db2.gz UQLVKLHLDLBDPI-QMMMGPOBSA-N 0 0 320.309 1.620 50 5 DDBARN COC(=O)c1cnc(NC[C@H]2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000585141001 354814719 /nfs/dbraw/zinc/81/47/19/354814719.db2.gz NJTVBWSKQFGEHB-RKDXNWHRSA-N 0 0 322.321 1.103 50 5 DDBARN Cc1nn(CC(=O)OCC(=O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000005130266 181207872 /nfs/dbraw/zinc/20/78/72/181207872.db2.gz BZXQCTGNKULYNP-UHFFFAOYSA-N 0 0 317.301 1.834 50 5 DDBARN CC(=O)c1cc2c(cc1NC(=O)c1n[nH]cc1[N+](=O)[O-])OCO2 ZINC000006262492 181324119 /nfs/dbraw/zinc/32/41/19/181324119.db2.gz SYMASFGMRCKSAK-UHFFFAOYSA-N 0 0 318.245 1.502 50 5 DDBARN COC(=O)[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000008770635 181584142 /nfs/dbraw/zinc/58/41/42/181584142.db2.gz WBWXMZVBUTZUKE-GFCCVEGCSA-N 0 0 310.306 1.531 50 5 DDBARN Cc1ccc(C(=O)N2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000040542692 183098422 /nfs/dbraw/zinc/09/84/22/183098422.db2.gz ZTKDHPVPFPJKTN-UHFFFAOYSA-N 0 0 305.334 1.631 50 5 DDBARN CCC(=O)Nc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000040555288 183101715 /nfs/dbraw/zinc/10/17/15/183101715.db2.gz DLYFCQMPLJJRFW-UHFFFAOYSA-N 0 0 318.293 1.174 50 5 DDBARN CS(=O)(=O)N1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058440338 184119100 /nfs/dbraw/zinc/11/91/00/184119100.db2.gz LBUYPYHEUALUGB-JTQLQIEISA-N 0 0 317.342 1.570 50 5 DDBARN COC1(C)CN(c2cnc([N+](=O)[O-])c(Br)c2)C1 ZINC000521398557 257234478 /nfs/dbraw/zinc/23/44/78/257234478.db2.gz OGSYNFGQVYWNQF-UHFFFAOYSA-N 0 0 302.128 1.977 50 5 DDBARN CCOC(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000000555170 406656799 /nfs/dbraw/zinc/65/67/99/406656799.db2.gz RVDBFBWKRCUEKB-UHFFFAOYSA-N 0 0 321.333 1.438 50 5 DDBARN CC(=O)c1cccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000001428831 406667677 /nfs/dbraw/zinc/66/76/77/406667677.db2.gz NGTYISBQPPWDSV-UHFFFAOYSA-N 0 0 302.290 1.941 50 5 DDBARN COc1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)c1OC ZINC000000451481 406647270 /nfs/dbraw/zinc/64/72/70/406647270.db2.gz CEPAIOWRPDKZQP-BXKDBHETSA-N 0 0 310.306 1.309 50 5 DDBARN CCOC(=O)[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000005939482 406735315 /nfs/dbraw/zinc/73/53/15/406735315.db2.gz PMJDPLHEINXMLV-NSHDSACASA-N 0 0 321.333 1.473 50 5 DDBARN COc1cccc2c1oc(=O)c1c(=O)nc3n(c21)CCS3 ZINC000003270882 406716067 /nfs/dbraw/zinc/71/60/67/406716067.db2.gz MBECRICPBGWUQY-UHFFFAOYSA-N 0 0 302.311 1.617 50 5 DDBARN CCCn1nnnc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000008155203 406779652 /nfs/dbraw/zinc/77/96/52/406779652.db2.gz JCCHAISKOFKSJK-UHFFFAOYSA-N 0 0 321.293 1.357 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2ncnn21 ZINC000009088126 406803719 /nfs/dbraw/zinc/80/37/19/406803719.db2.gz KUPCGHZZJYLIKM-SNVBAGLBSA-N 0 0 316.277 1.017 50 5 DDBARN NS(=O)(=O)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000071899620 406863720 /nfs/dbraw/zinc/86/37/20/406863720.db2.gz JUJKABUYJOZERS-UHFFFAOYSA-N 0 0 317.342 1.239 50 5 DDBARN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000071911243 406866881 /nfs/dbraw/zinc/86/68/81/406866881.db2.gz XCMJLJXOHPFWMK-VWYCJHECSA-N 0 0 319.144 1.808 50 5 DDBARN O=[N+]([O-])c1cccnc1NCc1ccnc(N2CCOCC2)c1 ZINC000026717297 406905401 /nfs/dbraw/zinc/90/54/01/406905401.db2.gz LRFNYNMKULUAFW-UHFFFAOYSA-N 0 0 315.333 1.834 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])NC1(CO)CCCC1 ZINC000089813896 407151319 /nfs/dbraw/zinc/15/13/19/407151319.db2.gz VBRKPJCURHRDBN-UHFFFAOYSA-N 0 0 307.350 1.742 50 5 DDBARN CC(C)c1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092007138 407186142 /nfs/dbraw/zinc/18/61/42/407186142.db2.gz FTKUNAZJJZVYIQ-IAQYHMDHSA-N 0 0 321.377 1.793 50 5 DDBARN O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000055452788 407202778 /nfs/dbraw/zinc/20/27/78/407202778.db2.gz CBCWMCXOKZMPJX-ZIAGYGMSSA-N 0 0 322.336 1.655 50 5 DDBARN CN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000055520192 407204232 /nfs/dbraw/zinc/20/42/32/407204232.db2.gz RECJWZBUHYUGGJ-UHFFFAOYSA-N 0 0 319.361 1.913 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000095974823 407219402 /nfs/dbraw/zinc/21/94/02/407219402.db2.gz JCCBKDYFZLXZLC-SNVBAGLBSA-N 0 0 316.239 1.809 50 5 DDBARN COc1ccccc1N1CC[C@H](n2cc([N+](=O)[O-])cn2)C1=O ZINC000095994872 407221737 /nfs/dbraw/zinc/22/17/37/407221737.db2.gz OXXCDHLHPHWXBW-LBPRGKRZSA-N 0 0 302.290 1.778 50 5 DDBARN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1 ZINC000096010222 407223602 /nfs/dbraw/zinc/22/36/02/407223602.db2.gz XXWQXKXIYRZWRF-UHFFFAOYSA-N 0 0 302.246 1.287 50 5 DDBARN O=c1ccn(Cc2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000096467997 407269717 /nfs/dbraw/zinc/26/97/17/407269717.db2.gz MCGRRKWAEMDVAV-UHFFFAOYSA-N 0 0 312.285 1.779 50 5 DDBARN Cc1cc(C)n(Cc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)n1 ZINC000253433651 407452336 /nfs/dbraw/zinc/45/23/36/407452336.db2.gz ZTDSQEAXMGYVBO-UHFFFAOYSA-N 0 0 317.309 1.548 50 5 DDBARN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2nc(N)sc2C1 ZINC000225455425 407586012 /nfs/dbraw/zinc/58/60/12/407586012.db2.gz WZTGPKMGEYMQJA-UHFFFAOYSA-N 0 0 308.367 1.721 50 5 DDBARN CO[C@@H]1CCCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000225453741 407586997 /nfs/dbraw/zinc/58/69/97/407586997.db2.gz IHXYJSXAVNRVQA-VXGBXAGGSA-N 0 0 310.354 1.564 50 5 DDBARN CN(C)C(=O)CNC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000225506739 407594656 /nfs/dbraw/zinc/59/46/56/407594656.db2.gz KBIYXXWBDNFRCZ-UHFFFAOYSA-N 0 0 320.132 1.720 50 5 DDBARN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000242183859 222211651 /nfs/dbraw/zinc/21/16/51/222211651.db2.gz XCMJLJXOHPFWMK-AXFHLTTASA-N 0 0 319.144 1.808 50 5 DDBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1-n1cnnn1 ZINC000033081920 274753566 /nfs/dbraw/zinc/75/35/66/274753566.db2.gz SEEAKICABIONKE-UHFFFAOYSA-N 0 0 314.261 1.724 50 5 DDBARN CC(=O)N1N=C2[C@H]([C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC2CC1 ZINC000019732238 278074712 /nfs/dbraw/zinc/07/47/12/278074712.db2.gz QMRWUEGSQCBNKA-JKSUJKDBSA-N 0 0 314.345 1.948 50 5 DDBARN C[C@H]1C[C@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000097046799 280019267 /nfs/dbraw/zinc/01/92/67/280019267.db2.gz XVLPQELVSYBDCM-WCQYABFASA-N 0 0 319.361 1.392 50 5 DDBARN CC[C@@H](NC(=O)c1nccnc1N)c1cccc([N+](=O)[O-])c1 ZINC000079018685 185146801 /nfs/dbraw/zinc/14/68/01/185146801.db2.gz MHHJENQYNNBFHO-LLVKDONJSA-N 0 0 301.306 1.848 50 5 DDBARN CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000096947491 185393348 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O=c1c([N+](=O)[O-])cn(-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000147416677 354165482 /nfs/dbraw/zinc/16/54/82/354165482.db2.gz HTAYVAFRCDMVNB-UHFFFAOYSA-N 0 0 306.190 1.562 50 5 DDBARN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000004155272 181079158 /nfs/dbraw/zinc/07/91/58/181079158.db2.gz SRUBONBFSBVIBK-JTQLQIEISA-N 0 0 309.278 1.720 50 5 DDBARN Cc1cc(S(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1C ZINC000004539655 181121905 /nfs/dbraw/zinc/12/19/05/181121905.db2.gz RTFUYLBITFDBHW-UHFFFAOYSA-N 0 0 300.336 1.233 50 5 DDBARN COc1ccccc1NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004582418 181126801 /nfs/dbraw/zinc/12/68/01/181126801.db2.gz QXCSZPJIHZWJHS-UHFFFAOYSA-N 0 0 323.330 1.909 50 5 DDBARN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000004785047 181151629 /nfs/dbraw/zinc/15/16/29/181151629.db2.gz BNLBSXNUTWNPNQ-UHFFFAOYSA-N 0 0 318.289 1.045 50 5 DDBARN Cc1cc(N[C@@H]2CNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095997036 193484714 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CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000042655953 183294859 /nfs/dbraw/zinc/29/48/59/183294859.db2.gz ABLHQNRDSMOKHV-UHFFFAOYSA-N 0 0 300.318 1.858 50 5 DDBARN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1Cl ZINC000048222776 183628734 /nfs/dbraw/zinc/62/87/34/183628734.db2.gz LJYDBIJYIBFXPE-MRVPVSSYSA-N 0 0 309.713 1.717 50 5 DDBARN O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CCCC1 ZINC000053835446 183914253 /nfs/dbraw/zinc/91/42/53/183914253.db2.gz FSSGJBNJQLHMNU-UHFFFAOYSA-N 0 0 301.306 1.471 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000004306021 285082591 /nfs/dbraw/zinc/08/25/91/285082591.db2.gz JITIQZLHWUPYKJ-NXEZZACHSA-N 0 0 324.385 1.508 50 5 DDBARN CSc1ccc([N+](=O)[O-])cc1-c1ccn(S(C)(=O)=O)n1 ZINC000000125418 406624201 /nfs/dbraw/zinc/62/42/01/406624201.db2.gz XJAIZCDSFMVPGQ-UHFFFAOYSA-N 0 0 313.360 1.988 50 5 DDBARN CCn1nccc1CN(C)C(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000002793352 406700536 /nfs/dbraw/zinc/70/05/36/406700536.db2.gz 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O=[N+]([O-])c1ccc(OC2CN(C[C@H](O)C(F)(F)F)C2)cc1 ZINC000189461923 408023511 /nfs/dbraw/zinc/02/35/11/408023511.db2.gz AXONSIUQXMKODG-NSHDSACASA-N 0 0 306.240 1.581 50 5 DDBARN CN(C)c1cnccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000408514372 418806025 /nfs/dbraw/zinc/80/60/25/418806025.db2.gz KXDNMZNYCIXXAO-UHFFFAOYSA-N 0 0 301.306 1.312 50 5 DDBARN COc1ncnc2c1N[C@@H](NN)c1cc([N+](=O)[O-])ccc1S2 ZINC000019171947 274171222 /nfs/dbraw/zinc/17/12/22/274171222.db2.gz VYKISZJVRVECKQ-JTQLQIEISA-N 0 0 320.334 1.432 50 5 DDBARN CC(=O)N1c2cc([N+](=O)[O-])ccc2N(C(C)=O)[C@H](C)CC1=O ZINC000004007235 278075966 /nfs/dbraw/zinc/07/59/66/278075966.db2.gz KBXQKTSZOCALKF-MRVPVSSYSA-N 0 0 305.290 1.619 50 5 DDBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(N)=O)cc2[N+](=O)[O-])C1 ZINC000007141052 278343966 /nfs/dbraw/zinc/34/39/66/278343966.db2.gz GIJHFTVJBMIRRN-JTQLQIEISA-N 0 0 321.333 1.473 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000222248038 279178487 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XQLWBERKMQXUER-UHFFFAOYSA-N 0 0 308.319 1.888 50 5 DDBARN COC[C@@H](O)CN(C)c1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000095988667 193479942 /nfs/dbraw/zinc/47/99/42/193479942.db2.gz FHVBVYOOVWSZPT-NSHDSACASA-N 0 0 305.334 1.895 50 5 DDBARN O=[N+]([O-])c1cc(Cl)ccc1N(CCO)CCOCCO ZINC000408520891 223731400 /nfs/dbraw/zinc/73/14/00/223731400.db2.gz ADZHHJXXHKOXIR-UHFFFAOYSA-N 0 0 304.730 1.056 50 5 DDBARN C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000021841435 182294899 /nfs/dbraw/zinc/29/48/99/182294899.db2.gz QZRLDIGOLDSKGT-NXEZZACHSA-N 0 0 311.313 1.782 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(O)CC1 ZINC000023993143 182371233 /nfs/dbraw/zinc/37/12/33/182371233.db2.gz TYSQXQHWSPIFSZ-JTQLQIEISA-N 0 0 323.349 1.387 50 5 DDBARN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000025412506 182413812 /nfs/dbraw/zinc/41/38/12/182413812.db2.gz GVWZNCWIMJCHSF-RYUDHWBXSA-N 0 0 319.361 1.593 50 5 DDBARN CCN(C[C@H]1CCCO1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000058438083 184118346 /nfs/dbraw/zinc/11/83/46/184118346.db2.gz IRISVBPZTQXNPU-LLVKDONJSA-N 0 0 318.333 1.608 50 5 DDBARN O=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 ZINC000020418951 304279927 /nfs/dbraw/zinc/27/99/27/304279927.db2.gz XHQGVICQJVJJSG-UHFFFAOYSA-N 0 0 316.317 1.946 50 5 DDBARN COC(=O)c1cnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000280536729 292030680 /nfs/dbraw/zinc/03/06/80/292030680.db2.gz RYZDKNOXKWLARX-ZANVPECISA-N 0 0 321.333 1.780 50 5 DDBARN O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000000036238 406616237 /nfs/dbraw/zinc/61/62/37/406616237.db2.gz UHYOSOJISIMHPI-UHFFFAOYSA-N 0 0 316.317 1.317 50 5 DDBARN O=[N+]([O-])c1cccc2c1cccc2S(=O)(=O)N1CCOCC1 ZINC000000194504 406629770 /nfs/dbraw/zinc/62/97/70/406629770.db2.gz RPCBOPNCUSJVCG-UHFFFAOYSA-N 0 0 322.342 1.769 50 5 DDBARN CCn1ncc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1C(N)=O ZINC000000610868 406655427 /nfs/dbraw/zinc/65/54/27/406655427.db2.gz ZTXNNDAEZWSKLG-UHFFFAOYSA-N 0 0 318.293 1.554 50 5 DDBARN O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1nc2ccccc2[nH]1 ZINC000001432159 406668899 /nfs/dbraw/zinc/66/88/99/406668899.db2.gz WBAMNIRAXCRGQS-UHFFFAOYSA-N 0 0 314.305 1.027 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1Cc1nc2c3ccccc3ncn2n1 ZINC000002806334 406702042 /nfs/dbraw/zinc/70/20/42/406702042.db2.gz KGRFSNMBRQZWAI-UHFFFAOYSA-N 0 0 309.289 1.739 50 5 DDBARN Cc1nn(CC(=O)NC(=O)NC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000006510865 406739625 /nfs/dbraw/zinc/73/96/25/406739625.db2.gz QJBGOQUDUUZNCF-UHFFFAOYSA-N 0 0 309.326 1.177 50 5 DDBARN C[C@@H]1CN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000013153977 406859646 /nfs/dbraw/zinc/85/96/46/406859646.db2.gz PGLWMWSPUUOAMJ-AOOOYVTPSA-N 0 0 323.374 1.719 50 5 DDBARN CCn1cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000014226886 406873421 /nfs/dbraw/zinc/87/34/21/406873421.db2.gz CVBRAASTWJVXPX-UHFFFAOYSA-N 0 0 324.362 1.632 50 5 DDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000044383202 407022891 /nfs/dbraw/zinc/02/28/91/407022891.db2.gz FBXZUWIEIZAUPJ-ICCXJUOJSA-N 0 0 300.318 1.892 50 5 DDBARN CCCN(CC(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000045813600 407049666 /nfs/dbraw/zinc/04/96/66/407049666.db2.gz FCDBNWGFBJUOIX-UHFFFAOYSA-N 0 0 316.335 1.169 50 5 DDBARN CCO[C@H]1C[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1(C)C ZINC000096419328 407263527 /nfs/dbraw/zinc/26/35/27/407263527.db2.gz ARFVLWKFXNYFHO-UWVGGRQHSA-N 0 0 310.354 1.902 50 5 DDBARN Nc1n[nH]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000067428351 407273729 /nfs/dbraw/zinc/27/37/29/407273729.db2.gz ICOZECMZHBXLMC-SECBINFHSA-N 0 0 320.334 1.193 50 5 DDBARN CNc1ccc(CN2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000097236900 407289385 /nfs/dbraw/zinc/28/93/85/407289385.db2.gz UACLOJLPIFKFIY-UHFFFAOYSA-N 0 0 307.350 1.975 50 5 DDBARN O=C1NCCCN1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192504350 408600842 /nfs/dbraw/zinc/60/08/42/408600842.db2.gz IUINDEFPHJZDQO-UHFFFAOYSA-N 0 0 311.367 1.435 50 5 DDBARN CCOc1ccc2c(c1)CN(c1ncc([N+](=O)[O-])c(N)n1)CC2 ZINC000063992397 276377316 /nfs/dbraw/zinc/37/73/16/276377316.db2.gz DTSWVOWCURWITF-UHFFFAOYSA-N 0 0 315.333 1.928 50 5 DDBARN Cc1nc2c(sc3nc4ccccc4n32)c(=O)n1CC(N)=O ZINC000005728724 279120131 /nfs/dbraw/zinc/12/01/31/279120131.db2.gz HLLSCDDIOMZCRG-UHFFFAOYSA-N 0 0 313.342 1.053 50 5 DDBARN Cn1c2cccc3c(=O)c4cccc5[nH]c(=O)c(c1=O)c(c54)c32 ZINC000006452628 279320298 /nfs/dbraw/zinc/32/02/98/279320298.db2.gz JNKWJDMEYPYGJU-UHFFFAOYSA-N 0 0 302.289 1.922 50 5 DDBARN O=C1NC2(CCSCC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000069655868 280283971 /nfs/dbraw/zinc/28/39/71/280283971.db2.gz CKBNCKJAOXLSCM-UHFFFAOYSA-N 0 0 321.358 1.912 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000084351273 280366026 /nfs/dbraw/zinc/36/60/26/280366026.db2.gz WQOOHXVRXQUPAW-UHFFFAOYSA-N 0 0 309.278 1.846 50 5 DDBARN C[C@H]1CCCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000005192748 290455389 /nfs/dbraw/zinc/45/53/89/290455389.db2.gz OFURCKIWGVBPMF-JTQLQIEISA-N 0 0 322.369 1.040 50 5 DDBARN C[C@@H]1C[C@H](C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000013463936 297362580 /nfs/dbraw/zinc/36/25/80/297362580.db2.gz NEOCWNGVSWVRCB-AOOOYVTPSA-N 0 0 313.379 1.725 50 5 DDBARN CC1(C)C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000408519496 527737778 /nfs/dbraw/zinc/73/77/78/527737778.db2.gz HCTTWAKLFQSAGB-YPMHNXCESA-N 0 0 308.334 1.702 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003151045 696006338 /nfs/dbraw/zinc/00/63/38/696006338.db2.gz VRYAOZCPSMQVRM-LBPRGKRZSA-N 0 0 321.358 1.903 50 5 DDBARN O=C(NCc1ccco1)[C@@H]1CCCN1c1ccncc1[N+](=O)[O-] ZINC000079052427 185149522 /nfs/dbraw/zinc/14/95/22/185149522.db2.gz JJRLYTFYEWMTNV-ZDUSSCGKSA-N 0 0 316.317 1.868 50 5 DDBARN CCOC(=O)C[C@H](C)CNc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000095444773 185367035 /nfs/dbraw/zinc/36/70/35/185367035.db2.gz HFPDZVLHEHUCGH-VIFPVBQESA-N 0 0 323.353 1.960 50 5 DDBARN CNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000080554296 192166852 /nfs/dbraw/zinc/16/68/52/192166852.db2.gz NENHLOKYHLZINS-UHFFFAOYSA-N 0 0 306.366 1.526 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)n2nnc3ccccc32)cc1 ZINC000000369314 352108780 /nfs/dbraw/zinc/10/87/80/352108780.db2.gz CQEBAFULZBZGMU-UHFFFAOYSA-N 0 0 304.287 1.577 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)COC2=O ZINC000000204581 180724733 /nfs/dbraw/zinc/72/47/33/180724733.db2.gz HMEBWMJQZURWHZ-UHFFFAOYSA-N 0 0 302.246 1.251 50 5 DDBARN COC(=O)C1=C(NC(=O)c2ccccc2[N+](=O)[O-])CCS1 ZINC000000265370 180742230 /nfs/dbraw/zinc/74/22/30/180742230.db2.gz UOSQXXIPTFSABV-UHFFFAOYSA-N 0 0 308.315 1.846 50 5 DDBARN Cc1nn(CC(=O)OCC(=O)c2ccc[nH]2)c(C)c1[N+](=O)[O-] ZINC000003416729 181016883 /nfs/dbraw/zinc/01/68/83/181016883.db2.gz RSPLCOAIGGZUFM-UHFFFAOYSA-N 0 0 306.278 1.162 50 5 DDBARN Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000003486978 181025934 /nfs/dbraw/zinc/02/59/34/181025934.db2.gz DJPDVCFAFNXIBJ-UHFFFAOYSA-N 0 0 320.349 1.039 50 5 DDBARN Cc1ccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000004158400 181079370 /nfs/dbraw/zinc/07/93/70/181079370.db2.gz RDKJZWQREGPLLH-CQSZACIVSA-N 0 0 301.302 1.762 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(C)CC1 ZINC000004979916 181183742 /nfs/dbraw/zinc/18/37/42/181183742.db2.gz IPKWJRAXIKNCKS-UHFFFAOYSA-N 0 0 313.379 1.229 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1C ZINC000005017737 181190916 /nfs/dbraw/zinc/19/09/16/181190916.db2.gz UFVPIMLGALWGLC-UHFFFAOYSA-N 0 0 308.323 1.158 50 5 DDBARN NC(=O)Nc1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000025095390 283309259 /nfs/dbraw/zinc/30/92/59/283309259.db2.gz YVSZLHJWOFGSSP-UHFFFAOYSA-N 0 0 316.273 1.130 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1Cc1cc(-c2cnn(C)c2C)no1 ZINC000193870218 201136535 /nfs/dbraw/zinc/13/65/35/201136535.db2.gz IRLZNNFKYBATMN-UHFFFAOYSA-N 0 0 302.294 1.845 50 5 DDBARN O=[N+]([O-])c1ccc(NC(=S)NCCN2CCOCC2)cc1 ZINC000022135339 182310268 /nfs/dbraw/zinc/31/02/68/182310268.db2.gz LYLIPYDOCVRBDW-UHFFFAOYSA-N 0 0 310.379 1.213 50 5 DDBARN COC(=O)c1cc2c(nc3ccccn3c2=O)n(C(C)C)c1=N ZINC000100297237 284536537 /nfs/dbraw/zinc/53/65/37/284536537.db2.gz PLHGCNZMKRSNQQ-UHFFFAOYSA-N 0 0 312.329 1.496 50 5 DDBARN O=C(CCNc1nc2sccn2c1[N+](=O)[O-])N1CCCC1 ZINC000036390309 182823266 /nfs/dbraw/zinc/82/32/66/182823266.db2.gz XXVLBDWFQZVTFZ-UHFFFAOYSA-N 0 0 309.351 1.728 50 5 DDBARN COC(=O)c1cnc(N2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000280536725 284602702 /nfs/dbraw/zinc/60/27/02/284602702.db2.gz RYZDKNOXKWLARX-TVQRCGJNSA-N 0 0 321.333 1.780 50 5 DDBARN CNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044892043 183449517 /nfs/dbraw/zinc/44/95/17/183449517.db2.gz UKLFECCUVXVUHC-UHFFFAOYSA-N 0 0 306.322 1.585 50 5 DDBARN COC(=O)c1cc(C(=O)NCc2ccco2)cc([N+](=O)[O-])c1 ZINC000000060858 406618275 /nfs/dbraw/zinc/61/82/75/406618275.db2.gz GVPCAEFXCCCBIQ-UHFFFAOYSA-N 0 0 304.258 1.904 50 5 DDBARN COC(=O)c1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1N ZINC000000215922 406630952 /nfs/dbraw/zinc/63/09/52/406630952.db2.gz MVDPVZNAESXWLN-UHFFFAOYSA-N 0 0 324.680 1.502 50 5 DDBARN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000000374456 406643190 /nfs/dbraw/zinc/64/31/90/406643190.db2.gz PKZAGUYBZMMVSE-MRVPVSSYSA-N 0 0 318.289 1.548 50 5 DDBARN CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000005517966 406733720 /nfs/dbraw/zinc/73/37/20/406733720.db2.gz CSPOMIZSRDSZJN-LBPRGKRZSA-N 0 0 304.306 1.311 50 5 DDBARN CCOC(=O)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003027662 406711551 /nfs/dbraw/zinc/71/15/51/406711551.db2.gz WXVBIXXXRXODBH-UHFFFAOYSA-N 0 0 316.335 1.215 50 5 DDBARN CNc1ccc(C(=O)N[C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000069528488 406729606 /nfs/dbraw/zinc/72/96/06/406729606.db2.gz NHRMGUYXDWTXSU-SNVBAGLBSA-N 0 0 320.349 1.377 50 5 DDBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)c1 ZINC000009287017 406804911 /nfs/dbraw/zinc/80/49/11/406804911.db2.gz KSIKPYQVKWDICX-UHFFFAOYSA-N 0 0 320.309 1.123 50 5 DDBARN Nc1nnc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)s1 ZINC000010231446 406821067 /nfs/dbraw/zinc/82/10/67/406821067.db2.gz SYVNJHRBILDHHX-UHFFFAOYSA-N 0 0 318.365 1.216 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])c1)NCCSc1ccccc1 ZINC000012535535 406846280 /nfs/dbraw/zinc/84/62/80/406846280.db2.gz VKZAFQWBIFFVIH-UHFFFAOYSA-N 0 0 306.347 1.700 50 5 DDBARN NS(=O)(=O)c1ccc(NCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000012636820 406849792 /nfs/dbraw/zinc/84/97/92/406849792.db2.gz SECLYWUBDUZTJS-UHFFFAOYSA-N 0 0 322.346 1.292 50 5 DDBARN CC[C@@H](C)NS(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000014020620 406870473 /nfs/dbraw/zinc/87/04/73/406870473.db2.gz VMSJMRSEZZWENF-MRVPVSSYSA-N 0 0 304.372 1.126 50 5 DDBARN O=[N+]([O-])c1ccc(N[C@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC000035186031 406968985 /nfs/dbraw/zinc/96/89/85/406968985.db2.gz UBLGQQRSNJTZTK-VIFPVBQESA-N 0 0 307.331 1.742 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2c(s1)COCC2 ZINC000075439278 406931947 /nfs/dbraw/zinc/93/19/47/406931947.db2.gz KOQZNOQMPPTRKR-UHFFFAOYSA-N 0 0 323.334 1.349 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1c1cccs1 ZINC000053835623 407174402 /nfs/dbraw/zinc/17/44/02/407174402.db2.gz DMBXANRGXSDBLP-VIFPVBQESA-N 0 0 307.335 1.612 50 5 DDBARN CCCNC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057891884 407218056 /nfs/dbraw/zinc/21/80/56/407218056.db2.gz LOTZAJOPRLYHRO-CYBMUJFWSA-N 0 0 320.393 1.632 50 5 DDBARN O=c1c(Br)cn(CC2CCOCC2)cc1[N+](=O)[O-] ZINC000096476074 407270822 /nfs/dbraw/zinc/27/08/22/407270822.db2.gz YXLNRZJUEWMTBC-UHFFFAOYSA-N 0 0 317.139 1.946 50 5 DDBARN C[C@H](CO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000135609021 408039921 /nfs/dbraw/zinc/03/99/21/408039921.db2.gz XWCUQYRNEMCHIB-SSDOTTSWSA-N 0 0 308.743 1.250 50 5 DDBARN CCS(=O)(=O)CCn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000182308411 408123086 /nfs/dbraw/zinc/12/30/86/408123086.db2.gz QSNZGOUWJWZYSJ-UHFFFAOYSA-N 0 0 309.347 1.893 50 5 DDBARN Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1-c1ccc(Cl)cc1 ZINC000185007376 408735084 /nfs/dbraw/zinc/73/50/84/408735084.db2.gz XJWYGLODFVITPS-UHFFFAOYSA-N 0 0 319.712 1.684 50 5 DDBARN CC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC ZINC000048322187 418469629 /nfs/dbraw/zinc/46/96/29/418469629.db2.gz CJLGLIHWNVXERI-NSHDSACASA-N 0 0 319.321 1.462 50 5 DDBARN CNC(=O)[C@H]1CCC[C@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] ZINC000585093037 771941995 /nfs/dbraw/zinc/94/19/95/771941995.db2.gz ZIUMJSIEZPDDHZ-GXSJLCMTSA-N 0 0 321.333 1.708 50 5 DDBARN COC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000095452548 185369341 /nfs/dbraw/zinc/36/93/41/185369341.db2.gz RWJPUHZMBUSZJM-UHFFFAOYSA-N 0 0 300.336 1.313 50 5 DDBARN CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000089626365 290763757 /nfs/dbraw/zinc/76/37/57/290763757.db2.gz ZVFCUISOHCSTQR-NSHDSACASA-N 0 0 313.379 1.421 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)N1CCCC1 ZINC000585088409 539555990 /nfs/dbraw/zinc/55/59/90/539555990.db2.gz UNLQIBTXRIUXEV-UHFFFAOYSA-N 0 0 319.296 1.615 50 5 DDBARN COCc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1 ZINC000000148472 180708789 /nfs/dbraw/zinc/70/87/89/180708789.db2.gz VLQGTIZDZXPVMH-UHFFFAOYSA-N 0 0 324.318 1.610 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000780606 180832512 /nfs/dbraw/zinc/83/25/12/180832512.db2.gz OLZZQZGADPWSKG-UHFFFAOYSA-N 0 0 304.262 1.467 50 5 DDBARN Cc1cc(N2CCN(c3cccnn3)CC2)ncc1[N+](=O)[O-] ZINC000074745931 353328531 /nfs/dbraw/zinc/32/85/31/353328531.db2.gz JFEKCKZXHXQIRG-UHFFFAOYSA-N 0 0 300.322 1.415 50 5 DDBARN COC(=O)c1cnc(N[C@H](C)c2nccn2C)c([N+](=O)[O-])c1 ZINC000585141781 354814967 /nfs/dbraw/zinc/81/49/67/354814967.db2.gz FQMQRTAQQKSBPO-MRVPVSSYSA-N 0 0 305.294 1.683 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@H]1C ZINC000006641738 181363964 /nfs/dbraw/zinc/36/39/64/181363964.db2.gz JUXJDAGQBDFDSO-PSASIEDQSA-N 0 0 308.290 1.741 50 5 DDBARN Cc1cc(N2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000266269097 205226706 /nfs/dbraw/zinc/22/67/06/205226706.db2.gz QTMLKKACTMPFOM-JTQLQIEISA-N 0 0 316.321 1.249 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000028068503 285121740 /nfs/dbraw/zinc/12/17/40/285121740.db2.gz VGIYCBFBQUIGOW-UHFFFAOYSA-N 0 0 309.278 1.846 50 5 DDBARN COc1ccc(S(=O)(=O)N(C)c2cnccn2)c([N+](=O)[O-])c1 ZINC000340636356 257237317 /nfs/dbraw/zinc/23/73/17/257237317.db2.gz PMVHFWYTFUKECF-UHFFFAOYSA-N 0 0 324.318 1.219 50 5 DDBARN O=[N+]([O-])c1cccnc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000044976645 134740613 /nfs/dbraw/zinc/74/06/13/134740613.db2.gz VDRDEPKAZYRRCQ-NSHDSACASA-N 0 0 300.322 1.861 50 5 DDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCCCC1 ZINC000000069861 406619023 /nfs/dbraw/zinc/61/90/23/406619023.db2.gz NMAQKWINROBMJA-UHFFFAOYSA-N 0 0 317.301 1.203 50 5 DDBARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC ZINC000000238092 406633554 /nfs/dbraw/zinc/63/35/54/406633554.db2.gz DIUHRZFDPWMVKL-LBPRGKRZSA-N 0 0 307.306 1.956 50 5 DDBARN Cc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000001049950 406662423 /nfs/dbraw/zinc/66/24/23/406662423.db2.gz DSLHGAGNBVJENP-NSHDSACASA-N 0 0 323.374 1.687 50 5 DDBARN NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001227644 406665199 /nfs/dbraw/zinc/66/51/99/406665199.db2.gz XABHUDBNLNXWAY-UHFFFAOYSA-N 0 0 321.314 1.495 50 5 DDBARN CCn1ncc(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C ZINC000002777984 406698832 /nfs/dbraw/zinc/69/88/32/406698832.db2.gz IHKTYFSECPQJNX-UHFFFAOYSA-N 0 0 320.353 1.434 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(O)cc2)CC1 ZINC000007124571 406749566 /nfs/dbraw/zinc/74/95/66/406749566.db2.gz RWANCRYKXKRURQ-UHFFFAOYSA-N 0 0 303.322 1.361 50 5 DDBARN Nc1ncnc(Sc2nnnn2-c2ccccc2)c1[N+](=O)[O-] ZINC000008954639 406800814 /nfs/dbraw/zinc/80/08/14/406800814.db2.gz CLFZSLUDERSTJW-UHFFFAOYSA-N 0 0 316.306 1.094 50 5 DDBARN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@H]2CO)nc1NC1CC1 ZINC000072293281 406879662 /nfs/dbraw/zinc/87/96/62/406879662.db2.gz ADWVGMOUEGPBIT-KOLCDFICSA-N 0 0 307.354 1.922 50 5 DDBARN Cn1cc(N2CCC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)cn1 ZINC000078368136 407026089 /nfs/dbraw/zinc/02/60/89/407026089.db2.gz GCXAPXRFMZIDHM-LLVKDONJSA-N 0 0 302.338 1.804 50 5 DDBARN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000066608375 407255026 /nfs/dbraw/zinc/25/50/26/407255026.db2.gz ZZMVHPGUHZMFCN-LLVKDONJSA-N 0 0 322.317 1.617 50 5 DDBARN NC(=O)C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCOCC1 ZINC000096494555 407272660 /nfs/dbraw/zinc/27/26/60/407272660.db2.gz NDCRDXDASMKUOE-LBPRGKRZSA-N 0 0 311.313 1.816 50 5 DDBARN Cc1cc(C(=O)NCC(=O)NCc2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000097083206 407278561 /nfs/dbraw/zinc/27/85/61/407278561.db2.gz CWPMTDMVTJGKOH-UHFFFAOYSA-N 0 0 316.317 1.278 50 5 DDBARN CCCn1c(=N)c(C(=O)OC)cc2c1nc1ccccn1c2=O ZINC000100309690 407307633 /nfs/dbraw/zinc/30/76/33/407307633.db2.gz KBYDDKVFLXWYDG-UHFFFAOYSA-N 0 0 312.329 1.325 50 5 DDBARN CS(=O)(=O)N[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000170596352 407446299 /nfs/dbraw/zinc/44/62/99/407446299.db2.gz DKAGDRRHRCEKRG-STQMWFEESA-N 0 0 313.379 1.867 50 5 DDBARN CCN1C[C@H](CN(C)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])Oc2ccccc21 ZINC000239591362 222210497 /nfs/dbraw/zinc/21/04/97/222210497.db2.gz BBCCMERGBBIIHZ-SGMGOOAPSA-N 0 0 319.361 1.398 50 5 DDBARN CC1=NN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)N=C2SC1=O ZINC000004528671 276187189 /nfs/dbraw/zinc/18/71/89/276187189.db2.gz HZLQTYYDDDYJNE-UXBLZVDNSA-N 0 0 316.298 1.783 50 5 DDBARN COc1cncc(N2CCN(c3sccc3[N+](=O)[O-])CC2)n1 ZINC000096492816 277479030 /nfs/dbraw/zinc/47/90/30/277479030.db2.gz QLVTXWTVWVDBMT-UHFFFAOYSA-N 0 0 321.362 1.782 50 5 DDBARN Cc1nc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)n1C ZINC000084271561 483993109 /nfs/dbraw/zinc/99/31/09/483993109.db2.gz IZEBGGSTESUAAR-ZDUSSCGKSA-N 0 0 318.333 1.920 50 5 DDBARN Cc1c(NC(=O)NCCOC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000585119340 771953655 /nfs/dbraw/zinc/95/36/55/771953655.db2.gz CRRRYMDWEIIDIY-UHFFFAOYSA-N 0 0 307.306 1.978 50 5 DDBARN Cn1ccnc1N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000072293269 191109861 /nfs/dbraw/zinc/10/98/61/191109861.db2.gz ZCJGSBADPZETAF-UHFFFAOYSA-N 0 0 322.756 1.703 50 5 DDBARN Cn1cc([C@](C)(O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000078869942 353535590 /nfs/dbraw/zinc/53/55/90/353535590.db2.gz DUUAIBKTPHMKPH-CQSZACIVSA-N 0 0 319.321 1.358 50 5 DDBARN CCOC(=O)[C@H](C)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000079111650 353550801 /nfs/dbraw/zinc/55/08/01/353550801.db2.gz JUCYLSZUTZWBPY-QMMMGPOBSA-N 0 0 309.326 1.347 50 5 DDBARN Cc1noc(C)c1COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000003451358 181021505 /nfs/dbraw/zinc/02/15/05/181021505.db2.gz MPBTVLAILNXSFS-UHFFFAOYSA-N 0 0 308.294 1.756 50 5 DDBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nccs1 ZINC000003549600 181033129 /nfs/dbraw/zinc/03/31/29/181033129.db2.gz ZEIKNAPGVJPZDQ-UHFFFAOYSA-N 0 0 320.330 1.810 50 5 DDBARN CCOC(=O)C[C@@H]1ON(C)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004085157 181071005 /nfs/dbraw/zinc/07/10/05/181071005.db2.gz HPTMVJJGWMHTLN-NSHDSACASA-N 0 0 309.278 1.678 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000074764050 191356145 /nfs/dbraw/zinc/35/61/45/191356145.db2.gz NATMZDKVUYTFEG-LBPRGKRZSA-N 0 0 307.350 1.551 50 5 DDBARN Nc1nc(NCCc2ccccc2)nc(NCCO)c1[N+](=O)[O-] ZINC000005030076 181193023 /nfs/dbraw/zinc/19/30/23/181193023.db2.gz QVVQPFGDNAVACC-UHFFFAOYSA-N 0 0 318.337 1.026 50 5 DDBARN CCOCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000005688372 181272930 /nfs/dbraw/zinc/27/29/30/181272930.db2.gz FHSDINIAXQJCOS-UHFFFAOYSA-N 0 0 302.352 1.837 50 5 DDBARN CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000006026507 181306866 /nfs/dbraw/zinc/30/68/66/181306866.db2.gz FUKYDARRNQEVJD-UHFFFAOYSA-N 0 0 315.351 1.048 50 5 DDBARN COC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000006085133 181311555 /nfs/dbraw/zinc/31/15/55/181311555.db2.gz DLMBGCHPEZNORE-MRVPVSSYSA-N 0 0 302.714 1.778 50 5 DDBARN COc1ccc(C(=O)NCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000006673679 181368550 /nfs/dbraw/zinc/36/85/50/181368550.db2.gz BGWOKEFIPYAAFW-UHFFFAOYSA-N 0 0 304.306 1.620 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007020423 181432149 /nfs/dbraw/zinc/43/21/49/181432149.db2.gz NCIBQSZCPOFXLS-OCCSQVGLSA-N 0 0 319.361 1.938 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(C(=O)OCCn2ccccc2=O)c1 ZINC000096441879 193646941 /nfs/dbraw/zinc/64/69/41/193646941.db2.gz BQKGFJSWWCPKKW-UHFFFAOYSA-N 0 0 302.286 1.922 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000022018134 182304353 /nfs/dbraw/zinc/30/43/53/182304353.db2.gz JNLIMDSTFTXPFY-RYUDHWBXSA-N 0 0 307.350 1.951 50 5 DDBARN O=C(NCCCNc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000042757559 183305127 /nfs/dbraw/zinc/30/51/27/183305127.db2.gz ZHDCKEZFLITIBB-UHFFFAOYSA-N 0 0 301.306 1.617 50 5 DDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000106097782 194185690 /nfs/dbraw/zinc/18/56/90/194185690.db2.gz SEGITSOJPQRWPK-MISXGVKJSA-N 0 0 314.345 1.934 50 5 DDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCNc1ncccn1 ZINC000057061934 184026137 /nfs/dbraw/zinc/02/61/37/184026137.db2.gz HTYZHLPYTIAKQR-VOTSOKGWSA-N 0 0 313.317 1.626 50 5 DDBARN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 ZINC000058169258 184083718 /nfs/dbraw/zinc/08/37/18/184083718.db2.gz PLWCRGUQVBHCPX-MRVPVSSYSA-N 0 0 321.255 1.802 50 5 DDBARN NC(=O)c1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000058266869 184097436 /nfs/dbraw/zinc/09/74/36/184097436.db2.gz UVJJWFVDQPOOHX-ZFWWWQNUSA-N 0 0 319.361 1.837 50 5 DDBARN CC(C)N(CC(=O)N1CCNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350328 184295257 /nfs/dbraw/zinc/29/52/57/184295257.db2.gz MQADKXVAYJGYGT-UHFFFAOYSA-N 0 0 320.349 1.357 50 5 DDBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1 ZINC000000196062 406628794 /nfs/dbraw/zinc/62/87/94/406628794.db2.gz JJPTUTYARXXKSR-UHFFFAOYSA-N 0 0 309.713 1.465 50 5 DDBARN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC000002795506 406702162 /nfs/dbraw/zinc/70/21/62/406702162.db2.gz QQZQKPVEBQUNFL-UHFFFAOYSA-N 0 0 305.250 1.130 50 5 DDBARN CCOC(=O)c1c(N)n[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005285435 406731287 /nfs/dbraw/zinc/73/12/87/406731287.db2.gz XTOVPRNSJLLNLM-UHFFFAOYSA-N 0 0 319.277 1.329 50 5 DDBARN CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000005894711 406736832 /nfs/dbraw/zinc/73/68/32/406736832.db2.gz BWNCBJRUUDMYSR-UHFFFAOYSA-N 0 0 307.350 1.817 50 5 DDBARN NC(=O)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000006923063 406745355 /nfs/dbraw/zinc/74/53/55/406745355.db2.gz HSSXILKHEQVLEP-UHFFFAOYSA-N 0 0 300.318 1.845 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000028326704 406917592 /nfs/dbraw/zinc/91/75/92/406917592.db2.gz WRPTWSKKHJBSPR-PWSUYJOCSA-N 0 0 314.363 1.749 50 5 DDBARN CN(Cc1nnc2n1CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000029077283 406920572 /nfs/dbraw/zinc/92/05/72/406920572.db2.gz NZNJKRXJLCQSTE-UHFFFAOYSA-N 0 0 316.321 1.796 50 5 DDBARN Cc1cc(C(=O)NCc2nncn2C2CC2)ccc1[N+](=O)[O-] ZINC000078603839 407036663 /nfs/dbraw/zinc/03/66/63/407036663.db2.gz MAOHIQHCWVLEID-UHFFFAOYSA-N 0 0 301.306 1.760 50 5 DDBARN CCc1cccc(CC)c1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048222017 407091593 /nfs/dbraw/zinc/09/15/93/407091593.db2.gz CKTOZSFATKAXHZ-UHFFFAOYSA-N 0 0 303.322 1.950 50 5 DDBARN Cc1cccc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1[N+](=O)[O-] ZINC000054691434 407188009 /nfs/dbraw/zinc/18/80/09/407188009.db2.gz WFOXVCJOICFNJK-ZDUSSCGKSA-N 0 0 313.313 1.860 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cnnc1C1CC1 ZINC000096412666 407261558 /nfs/dbraw/zinc/26/15/58/407261558.db2.gz NCQXOPDAURILDC-UHFFFAOYSA-N 0 0 315.333 1.802 50 5 DDBARN CN(CC(F)F)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000096501514 407273606 /nfs/dbraw/zinc/27/36/06/407273606.db2.gz FGCNCNWMYPBPQB-UHFFFAOYSA-N 0 0 300.308 1.761 50 5 DDBARN O=C(N[C@@H]1CCCCNC1=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000097058046 407278035 /nfs/dbraw/zinc/27/80/35/407278035.db2.gz XSYYCSYBWNVDOZ-SNVBAGLBSA-N 0 0 313.260 1.272 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)NCCOc1ccc(F)cc1 ZINC000225477460 407587526 /nfs/dbraw/zinc/58/75/26/407587526.db2.gz ASYIGZLILRBITG-UHFFFAOYSA-N 0 0 322.296 1.434 50 5 DDBARN Cc1c(F)cc(C(=O)Nc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000044966795 418435048 /nfs/dbraw/zinc/43/50/48/418435048.db2.gz MOXDUERLOWSPCD-UHFFFAOYSA-N 0 0 315.264 2.337 50 5 DDBARN O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000045059887 418436182 /nfs/dbraw/zinc/43/61/82/418436182.db2.gz KQKZRSYGBGNFBK-KGLIPLIRSA-N 0 0 318.329 1.479 50 5 DDBARN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCCCO2)cc1 ZINC000390833454 325784060 /nfs/dbraw/zinc/78/40/60/325784060.db2.gz HRXBYRSYQYIKQM-UHFFFAOYSA-N 0 0 300.336 1.842 50 5 DDBARN Cn1cc(C[C@@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000585098817 483922112 /nfs/dbraw/zinc/92/21/12/483922112.db2.gz FJWOETMQLPRHBK-AAEUAGOBSA-N 0 0 302.338 1.942 50 5 DDBARN COCc1nc2n(n1)CCC[C@H]2Nc1ncc(C)cc1[N+](=O)[O-] ZINC000095415160 185358651 /nfs/dbraw/zinc/35/86/51/185358651.db2.gz YRYLBMBGASXWBQ-SNVBAGLBSA-N 0 0 318.337 1.983 50 5 DDBARN O=[N+]([O-])c1cccc([C@H](O)Cn2nnc(-c3cccnc3)n2)c1 ZINC000095432542 185363765 /nfs/dbraw/zinc/36/37/65/185363765.db2.gz AMYLYMISIFIPAR-CYBMUJFWSA-N 0 0 312.289 1.377 50 5 DDBARN CN(C)c1nccc(CNc2nc3sccn3c2[N+](=O)[O-])n1 ZINC000095463007 185371231 /nfs/dbraw/zinc/37/12/31/185371231.db2.gz MOLULRWKBYVDNM-UHFFFAOYSA-N 0 0 319.350 1.772 50 5 DDBARN CNC1=NC(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)S1 ZINC000004681115 181135787 /nfs/dbraw/zinc/13/57/87/181135787.db2.gz TVTQATICQDCKIG-SECBINFHSA-N 0 0 308.319 1.141 50 5 DDBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccccc2)c1 ZINC000004834023 181159631 /nfs/dbraw/zinc/15/96/31/181159631.db2.gz JEBDDCQYDLRGGB-UHFFFAOYSA-N 0 0 322.342 1.952 50 5 DDBARN COc1ccc(C(=O)NCCc2ccccn2)cc1[N+](=O)[O-] ZINC000005689525 181273180 /nfs/dbraw/zinc/27/31/80/181273180.db2.gz PRQOVILINIGROE-UHFFFAOYSA-N 0 0 301.302 1.971 50 5 DDBARN Cc1sc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C(N)=O)c1C ZINC000006413298 181338803 /nfs/dbraw/zinc/33/88/03/181338803.db2.gz 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CCN(Cc1nonc1C)C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000002785930 406702769 /nfs/dbraw/zinc/70/27/69/406702769.db2.gz DYYCTPBCJUYUBL-SECBINFHSA-N 0 0 308.298 1.092 50 5 DDBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000006862940 406741031 /nfs/dbraw/zinc/74/10/31/406741031.db2.gz IOIPOERDBPMKNO-UHFFFAOYSA-N 0 0 310.653 1.289 50 5 DDBARN CCCc1n[nH]c(C(=O)NCCCn2ccnc2C)c1[N+](=O)[O-] ZINC000069600627 406742237 /nfs/dbraw/zinc/74/22/37/406742237.db2.gz DCNPMLGJTQGNIO-UHFFFAOYSA-N 0 0 320.353 1.595 50 5 DDBARN CCCn1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000007783502 406767028 /nfs/dbraw/zinc/76/70/28/406767028.db2.gz HNWQVYYDOPOZPY-UHFFFAOYSA-N 0 0 317.301 1.919 50 5 DDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N1CCc2ccccc21 ZINC000003233130 406712521 /nfs/dbraw/zinc/71/25/21/406712521.db2.gz WGTWMTFPGRTFSB-UHFFFAOYSA-N 0 0 316.269 1.934 50 5 DDBARN CCOC(=O)CCCn1cc([N+](=O)[O-])c(-c2cnn(C)c2)n1 ZINC000020167575 406885981 /nfs/dbraw/zinc/88/59/81/406885981.db2.gz 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CSc1nc(=O)cnn1CCOc1cccc([N+](=O)[O-])c1 ZINC000585122924 771953657 /nfs/dbraw/zinc/95/36/57/771953657.db2.gz JBHMYHGBQSENAF-UHFFFAOYSA-N 0 0 308.319 1.347 50 5 DDBARN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000078947601 185133630 /nfs/dbraw/zinc/13/36/30/185133630.db2.gz ZLLCHMBWSIMHGJ-AAEUAGOBSA-N 0 0 318.333 1.440 50 5 DDBARN C[C@@H](O)CC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000087425063 185224528 /nfs/dbraw/zinc/22/45/28/185224528.db2.gz NTGBFQVQIVCWCW-SNVBAGLBSA-N 0 0 312.370 1.440 50 5 DDBARN O=C1[C@@H](Nc2ncccc2[N+](=O)[O-])CN1c1ccc(F)cc1 ZINC000095469159 185372468 /nfs/dbraw/zinc/37/24/68/185372468.db2.gz AMQDHQHTDWTKNU-NSHDSACASA-N 0 0 302.265 1.956 50 5 DDBARN COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000020220439 190646383 /nfs/dbraw/zinc/64/63/83/190646383.db2.gz FOOMMWCXQBPUIU-UHFFFAOYSA-N 0 0 318.285 1.395 50 5 DDBARN COCCCNC(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329424 191123830 /nfs/dbraw/zinc/12/38/30/191123830.db2.gz 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181168726 /nfs/dbraw/zinc/16/87/26/181168726.db2.gz XOFJKHCBTSMRMZ-UHFFFAOYSA-N 0 0 324.318 1.854 50 5 DDBARN NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090090584 283326057 /nfs/dbraw/zinc/32/60/57/283326057.db2.gz ILVRPNZDCXUASI-GFCCVEGCSA-N 0 0 312.329 1.968 50 5 DDBARN NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090090583 283355089 /nfs/dbraw/zinc/35/50/89/283355089.db2.gz ILVRPNZDCXUASI-LBPRGKRZSA-N 0 0 312.329 1.968 50 5 DDBARN NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000010255835 283360776 /nfs/dbraw/zinc/36/07/76/283360776.db2.gz FVTOILZWSDFFCS-SNVBAGLBSA-N 0 0 301.258 1.245 50 5 DDBARN Cc1ccn2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3)nc2n1 ZINC000006510156 181348130 /nfs/dbraw/zinc/34/81/30/181348130.db2.gz YTBMYYUUSJYZNG-UHFFFAOYSA-N 0 0 313.273 1.698 50 5 DDBARN COC(=O)[C@@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000097104024 284012932 /nfs/dbraw/zinc/01/29/32/284012932.db2.gz JHCHEGNWJNZZND-NSHDSACASA-N 0 0 319.317 1.621 50 5 DDBARN CCOCCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000021713050 182284943 /nfs/dbraw/zinc/28/49/43/182284943.db2.gz NMYVPQITLRIOHI-UHFFFAOYSA-N 0 0 317.319 1.192 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2ccc(F)cc2s1 ZINC000053835206 183914135 /nfs/dbraw/zinc/91/41/35/183914135.db2.gz DDVJVFCONOXAIO-UHFFFAOYSA-N 0 0 322.281 1.574 50 5 DDBARN O=C1NCCN1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000058129018 184078325 /nfs/dbraw/zinc/07/83/25/184078325.db2.gz NMKRLEQKFNDMMW-CYBMUJFWSA-N 0 0 304.350 1.584 50 5 DDBARN CCN(C[C@@H]1CCCO1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000058438081 184118286 /nfs/dbraw/zinc/11/82/86/184118286.db2.gz IRISVBPZTQXNPU-NSHDSACASA-N 0 0 318.333 1.608 50 5 DDBARN Cc1c(Cn2cc(S(=O)(=O)N(C)C)cn2)cccc1[N+](=O)[O-] ZINC000348114454 257236337 /nfs/dbraw/zinc/23/63/37/257236337.db2.gz SVIMBCREDUHTGF-UHFFFAOYSA-N 0 0 324.362 1.398 50 5 DDBARN Cc1nnc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002854873 406705142 /nfs/dbraw/zinc/70/51/42/406705142.db2.gz 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406823844 /nfs/dbraw/zinc/82/38/44/406823844.db2.gz VGGZTTFBHCOCKM-NSHDSACASA-N 0 0 323.257 1.244 50 5 DDBARN O=C(Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)NCCO ZINC000071893751 406863769 /nfs/dbraw/zinc/86/37/69/406863769.db2.gz LKDOHAYNFPOLAD-UHFFFAOYSA-N 0 0 317.301 1.433 50 5 DDBARN Cc1ccc(NC(=O)NCCc2nc(N)no2)cc1[N+](=O)[O-] ZINC000075110185 406922042 /nfs/dbraw/zinc/92/20/42/406922042.db2.gz PLXXKUCCGHEMET-UHFFFAOYSA-N 0 0 306.282 1.233 50 5 DDBARN COc1ccc(Cc2noc(Cn3ccc([N+](=O)[O-])n3)n2)cc1 ZINC000089444072 407134200 /nfs/dbraw/zinc/13/42/00/407134200.db2.gz CXBPZKMDXKBROM-UHFFFAOYSA-N 0 0 315.289 1.822 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])n1)OCC12CC3CC(CC(C3)C1)C2 ZINC000052744532 407156458 /nfs/dbraw/zinc/15/64/58/407156458.db2.gz SKDSMFXNJXJBTK-UHFFFAOYSA-N 0 0 320.349 1.946 50 5 DDBARN CNC(=O)[C@@H]1CCCN(c2sc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000095997122 407222402 /nfs/dbraw/zinc/22/24/02/407222402.db2.gz HDECPTTWJWCGKL-SECBINFHSA-N 0 0 311.363 1.821 50 5 DDBARN CC(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067366450 407272276 /nfs/dbraw/zinc/27/22/76/407272276.db2.gz ZWCWJRGBTCEKCZ-GFCCVEGCSA-N 0 0 305.334 1.583 50 5 DDBARN COc1cc(CCNC(=O)c2c([N+](=O)[O-])cnn2C)ccc1F ZINC000097033703 407276275 /nfs/dbraw/zinc/27/62/75/407276275.db2.gz MLENARKFRZZERU-UHFFFAOYSA-N 0 0 322.296 1.449 50 5 DDBARN COCCNC(=O)CNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000225543644 407594186 /nfs/dbraw/zinc/59/41/86/407594186.db2.gz MXSKMNBYUFXXQW-UHFFFAOYSA-N 0 0 301.730 1.731 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000184407569 408611720 /nfs/dbraw/zinc/61/17/20/408611720.db2.gz HKXWBALWRTVSON-SECBINFHSA-N 0 0 321.337 1.058 50 5 DDBARN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000252678624 408808383 /nfs/dbraw/zinc/80/83/83/408808383.db2.gz GLBHYCZAOCSYMW-KWCYVHTRSA-N 0 0 323.393 1.339 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000245226265 222214907 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O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccon1 ZINC000097015472 185397285 /nfs/dbraw/zinc/39/72/85/185397285.db2.gz IXVJHOSBVCAKIY-UHFFFAOYSA-N 0 0 300.068 1.555 50 5 DDBARN Cc1cc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)no1 ZINC000002788317 180957426 /nfs/dbraw/zinc/95/74/26/180957426.db2.gz JPNNHJUQGOGKPY-UHFFFAOYSA-N 0 0 317.265 1.042 50 5 DDBARN NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000003138379 180984911 /nfs/dbraw/zinc/98/49/11/180984911.db2.gz PAPIWHSHMPUUSZ-UHFFFAOYSA-N 0 0 317.326 1.944 50 5 DDBARN NC(=O)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000003407253 181015749 /nfs/dbraw/zinc/01/57/49/181015749.db2.gz XNNSZIXKAKEOEK-AATRIKPKSA-N 0 0 303.318 1.332 50 5 DDBARN C[C@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000003445090 181021048 /nfs/dbraw/zinc/02/10/48/181021048.db2.gz NNYJMOVHYXIDMI-UWVGGRQHSA-N 0 0 312.297 1.749 50 5 DDBARN CCN(CCNS(C)(=O)=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000004042472 181065776 /nfs/dbraw/zinc/06/57/76/181065776.db2.gz 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COC(=O)c1cc(C(=O)NCc2cccnc2)cc([N+](=O)[O-])c1 ZINC000000060846 406617302 /nfs/dbraw/zinc/61/73/02/406617302.db2.gz JVNXHHBYMVIQAW-UHFFFAOYSA-N 0 0 315.285 1.706 50 5 DDBARN COc1cc(C(=O)NCc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000000183934 406629283 /nfs/dbraw/zinc/62/92/83/406629283.db2.gz LDWUUZYZZILPDU-UHFFFAOYSA-N 0 0 317.301 1.937 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000195252 406629292 /nfs/dbraw/zinc/62/92/92/406629292.db2.gz XFWUIELYJLHVLQ-GFCCVEGCSA-N 0 0 305.290 1.738 50 5 DDBARN COc1cc(C=C2SC(=O)NC2=O)c([N+](=O)[O-])cc1OC ZINC000001064628 406663560 /nfs/dbraw/zinc/66/35/60/406663560.db2.gz CGJCOEZNHJSMEG-ONNFQVAWSA-N 0 0 310.287 1.936 50 5 DDBARN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(N)=O)n2)c(C)c1 ZINC000001429455 406668492 /nfs/dbraw/zinc/66/84/92/406668492.db2.gz GLZMSQUAOZLMSD-UHFFFAOYSA-N 0 0 317.305 1.146 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](Cn1cccn1)C(C)(C)C ZINC000002782605 406700873 /nfs/dbraw/zinc/70/08/73/406700873.db2.gz 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/nfs/dbraw/zinc/85/38/95/406853895.db2.gz FIRRXVQVTCPJOB-JTQLQIEISA-N 0 0 319.317 1.259 50 5 DDBARN CC[C@@H](C)[C@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000071920883 406868315 /nfs/dbraw/zinc/86/83/15/406868315.db2.gz WKRQDHAEICEHBO-ZJUUUORDSA-N 0 0 306.322 1.422 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccccn2)CC1 ZINC000020448856 406887419 /nfs/dbraw/zinc/88/74/19/406887419.db2.gz URAYMCSCNCTPHP-UHFFFAOYSA-N 0 0 302.290 1.545 50 5 DDBARN CC(C)CNC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000025706638 406900333 /nfs/dbraw/zinc/90/03/33/406900333.db2.gz KPJUUPZWMPQYNP-UHFFFAOYSA-N 0 0 307.350 1.817 50 5 DDBARN COc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)n1 ZINC000034184418 406964312 /nfs/dbraw/zinc/96/43/12/406964312.db2.gz AGJNCJJCGARISW-UHFFFAOYSA-N 0 0 308.315 1.972 50 5 DDBARN COc1cc(F)c([N+](=O)[O-])c(N(C)CCN2CCCC2=O)c1 ZINC000076094944 406954572 /nfs/dbraw/zinc/95/45/72/406954572.db2.gz JINDNZZZALBSCN-UHFFFAOYSA-N 0 0 311.313 1.801 50 5 DDBARN NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000079015764 407049083 /nfs/dbraw/zinc/04/90/83/407049083.db2.gz YBUYBZBLTOFTIJ-QWHCGFSZSA-N 0 0 305.334 1.298 50 5 DDBARN O=C([C@@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048250376 407092502 /nfs/dbraw/zinc/09/25/02/407092502.db2.gz ZDPDAQDJIANYGM-AWEZNQCLSA-N 0 0 305.334 1.422 50 5 DDBARN CN(CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2n1C ZINC000089749690 407146349 /nfs/dbraw/zinc/14/63/49/407146349.db2.gz CCAUZGSJGWFUHE-UHFFFAOYSA-N 0 0 314.349 1.810 50 5 DDBARN Cc1c(CN(C)C[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000096419665 407263341 /nfs/dbraw/zinc/26/33/41/407263341.db2.gz VWOXMLFWEMQRRM-LBPRGKRZSA-N 0 0 312.391 1.770 50 5 DDBARN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCn1cc(C)cn1 ZINC000225559799 407597256 /nfs/dbraw/zinc/59/72/56/407597256.db2.gz AXIFDDYYOFQKAH-UHFFFAOYSA-N 0 0 318.333 1.928 50 5 DDBARN CNC(=O)c1cnc(C=Cc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000103896849 418496743 /nfs/dbraw/zinc/49/67/43/418496743.db2.gz 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191077951 /nfs/dbraw/zinc/07/79/51/191077951.db2.gz BKUTUVTVFKOROS-SSDOTTSWSA-N 0 0 312.713 1.648 50 5 DDBARN CCOC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000000087935 180688913 /nfs/dbraw/zinc/68/89/13/180688913.db2.gz MLEBZRFUDCUDDH-UHFFFAOYSA-N 0 0 321.333 1.818 50 5 DDBARN COC(=O)c1ccccc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000000613079 180829072 /nfs/dbraw/zinc/82/90/72/180829072.db2.gz SVKXCDOMLGZLGB-UHFFFAOYSA-N 0 0 318.289 1.525 50 5 DDBARN CCOC(=O)[C@@H](NC(=O)CC)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000002907547 180968967 /nfs/dbraw/zinc/96/89/67/180968967.db2.gz NOSQYOWEBITMLS-QWHCGFSZSA-N 0 0 310.306 1.086 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000193874158 354292392 /nfs/dbraw/zinc/29/23/92/354292392.db2.gz AOTNOHSMWCQSFE-YPMHNXCESA-N 0 0 324.381 1.811 50 5 DDBARN COc1ccc(Nc2nc(N(C)C)nc(N)c2[N+](=O)[O-])cc1 ZINC000005069589 181200500 /nfs/dbraw/zinc/20/05/00/181200500.db2.gz NCJLRTFHOCMWIS-UHFFFAOYSA-N 0 0 304.310 1.785 50 5 DDBARN Nc1nc(N2CCCC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000005099649 181203033 /nfs/dbraw/zinc/20/30/33/181203033.db2.gz MWZVOPRBIUGWRQ-VIFPVBQESA-N 0 0 308.342 1.158 50 5 DDBARN CCn1nccc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020602136 182237127 /nfs/dbraw/zinc/23/71/27/182237127.db2.gz CDIONFDYUYLIIX-UHFFFAOYSA-N 0 0 324.362 1.632 50 5 DDBARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000021839886 182294593 /nfs/dbraw/zinc/29/45/93/182294593.db2.gz ILTDLHDREOBWOH-PWSUYJOCSA-N 0 0 323.349 1.785 50 5 DDBARN Cc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000022228197 182313383 /nfs/dbraw/zinc/31/33/83/182313383.db2.gz OTPVEPDUJWMDHV-VXGBXAGGSA-N 0 0 307.350 1.951 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000023425957 182360786 /nfs/dbraw/zinc/36/07/86/182360786.db2.gz QBHIKBMAJQCAMD-QWRGUYRKSA-N 0 0 323.349 1.651 50 5 DDBARN CCCCCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000038316846 182997876 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COc1ccc(NC(=O)COC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000005080252 406732328 /nfs/dbraw/zinc/73/23/28/406732328.db2.gz UCTNIZKJTJPIMV-UHFFFAOYSA-N 0 0 320.257 1.992 50 5 DDBARN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1CCOCC1 ZINC000069569630 406736662 /nfs/dbraw/zinc/73/66/62/406736662.db2.gz KALOYVFCLUCJHB-UHFFFAOYSA-N 0 0 316.317 1.317 50 5 DDBARN NC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000069738705 406762733 /nfs/dbraw/zinc/76/27/33/406762733.db2.gz NIHHYTSSMPSLBZ-LLVKDONJSA-N 0 0 318.308 1.885 50 5 DDBARN CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000069456590 406718267 /nfs/dbraw/zinc/71/82/67/406718267.db2.gz ZWGIPXJUXXBUTN-UHFFFAOYSA-N 0 0 315.333 1.168 50 5 DDBARN CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 ZINC000005029887 406729506 /nfs/dbraw/zinc/72/95/06/406729506.db2.gz QMVSKBJDPPDRON-UHFFFAOYSA-N 0 0 323.401 1.177 50 5 DDBARN CN1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000014193564 406872628 /nfs/dbraw/zinc/87/26/28/406872628.db2.gz 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Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000038783893 274726981 /nfs/dbraw/zinc/72/69/81/274726981.db2.gz KLJYXEIJRYPSOH-UHFFFAOYSA-N 0 0 322.284 1.645 50 5 DDBARN CNc1c([N+](=O)[O-])nn(-c2cccc(C(F)(F)F)c2)[n+]1[O-] ZINC000004924280 277043094 /nfs/dbraw/zinc/04/30/94/277043094.db2.gz WMKHQLOLVJYMEZ-UHFFFAOYSA-N 0 0 303.200 1.474 50 5 DDBARN CC1=NN[C@@]2(C)Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000004060587 278511864 /nfs/dbraw/zinc/51/18/64/278511864.db2.gz KNJBPUYAXUVFLK-SGMGOOAPSA-N 0 0 313.321 1.513 50 5 DDBARN Cc1ccc(-c2nnc3c4ccccc4[nH]c(=O)n3c2=O)cc1 ZINC000012863409 280733741 /nfs/dbraw/zinc/73/37/41/280733741.db2.gz CMARPSDAUCOPJV-UHFFFAOYSA-N 0 0 304.309 1.906 50 5 DDBARN Cc1nc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000160397941 293295439 /nfs/dbraw/zinc/29/54/39/293295439.db2.gz CVJUYEVWQKMEBS-CYBMUJFWSA-N 0 0 306.366 1.599 50 5 DDBARN Cc1nc(N2CCOCC2)nc(N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000004170766 302599944 /nfs/dbraw/zinc/59/99/44/302599944.db2.gz 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ZINC000053836163 352668862 /nfs/dbraw/zinc/66/88/62/352668862.db2.gz PHZMQEUECHPKRL-UHFFFAOYSA-N 0 0 319.252 1.093 50 5 DDBARN O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc([N+](=O)[O-])c1 ZINC000004263842 181089719 /nfs/dbraw/zinc/08/97/19/181089719.db2.gz SSFIMDQVVHZOIQ-UHFFFAOYSA-N 0 0 311.253 1.731 50 5 DDBARN CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000225547359 354318418 /nfs/dbraw/zinc/31/84/18/354318418.db2.gz PVARJAHESPRUJY-UHFFFAOYSA-N 0 0 304.350 1.559 50 5 DDBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000005716707 181276282 /nfs/dbraw/zinc/27/62/82/181276282.db2.gz IXWFTGMONIZBQL-GFCCVEGCSA-N 0 0 305.290 1.786 50 5 DDBARN Cc1nn(C)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000096475313 193661200 /nfs/dbraw/zinc/66/12/00/193661200.db2.gz GEKYOVCDJBPAHR-UHFFFAOYSA-N 0 0 303.322 1.830 50 5 DDBARN COc1cccc(Nc2c([N+](=O)[O-])nc([N+](=O)[O-])n2CCO)c1 ZINC000016309874 182039409 /nfs/dbraw/zinc/03/94/09/182039409.db2.gz DUEQXYCXNLGIDZ-UHFFFAOYSA-N 0 0 323.265 1.444 50 5 DDBARN C[C@@H](C(=O)NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020272623 182202610 /nfs/dbraw/zinc/20/26/10/182202610.db2.gz RCIHSUJVBOIIDR-GFCCVEGCSA-N 0 0 307.350 1.147 50 5 DDBARN CCCn1nc(C(=O)OCc2ccccc2[N+](=O)[O-])ccc1=O ZINC000021867623 182294935 /nfs/dbraw/zinc/29/49/35/182294935.db2.gz IEOFDADQLHZVJM-UHFFFAOYSA-N 0 0 317.301 1.919 50 5 DDBARN O=C(NCCCn1ccccc1=O)Nc1ccccc1[N+](=O)[O-] ZINC000040123019 183038617 /nfs/dbraw/zinc/03/86/17/183038617.db2.gz JJDKIDQIHPFMBR-UHFFFAOYSA-N 0 0 316.317 1.968 50 5 DDBARN COc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000047931504 183609656 /nfs/dbraw/zinc/60/96/56/183609656.db2.gz FESKEMGXOZAFPA-JTQLQIEISA-N 0 0 304.306 1.618 50 5 DDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCNc1cnccn1 ZINC000056486280 184012955 /nfs/dbraw/zinc/01/29/55/184012955.db2.gz CEQFIGNFVMOLNZ-AATRIKPKSA-N 0 0 313.317 1.626 50 5 DDBARN Cc1ncncc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000065439846 184345362 /nfs/dbraw/zinc/34/53/62/184345362.db2.gz MCNBIJPUJSNERU-UHFFFAOYSA-N 0 0 301.306 1.535 50 5 DDBARN O=c1[nH]c2ccccc2c2nnc(Cc3ccccc3)c(=O)n12 ZINC000012863392 285200375 /nfs/dbraw/zinc/20/03/75/285200375.db2.gz QZMYJDTVTKWNOF-UHFFFAOYSA-N 0 0 304.309 1.522 50 5 DDBARN COc1ccc2c3c4c(cn3ccc2c1)n(C)c(=O)n(C)c4=O ZINC000000526696 406652594 /nfs/dbraw/zinc/65/25/94/406652594.db2.gz PITDGMLIMQEAIS-UHFFFAOYSA-N 0 0 309.325 1.652 50 5 DDBARN Cc1c(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000002767965 406699441 /nfs/dbraw/zinc/69/94/41/406699441.db2.gz LEWFJMXSOQMJGG-VMPITWQZSA-N 0 0 300.318 1.966 50 5 DDBARN Cc1c([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCO3)nn1C ZINC000000371521 406641561 /nfs/dbraw/zinc/64/15/61/406641561.db2.gz VZSKMEDAAGXDAQ-UHFFFAOYSA-N 0 0 318.289 1.660 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000007020430 406747589 /nfs/dbraw/zinc/74/75/89/406747589.db2.gz KQAVBIDOYUHKCJ-OLZOCXBDSA-N 0 0 319.361 1.795 50 5 DDBARN Cc1nn(CCN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] ZINC000007814671 406768983 /nfs/dbraw/zinc/76/89/83/406768983.db2.gz GDISAFGKBARCBU-UHFFFAOYSA-N 0 0 314.301 1.704 50 5 DDBARN CC1=NN[C@]2(C)Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000004060588 406724611 /nfs/dbraw/zinc/72/46/11/406724611.db2.gz KNJBPUYAXUVFLK-OBJOEFQTSA-N 0 0 313.321 1.513 50 5 DDBARN COc1ccc(Nc2nc3nnnn3c(C)c2[N+](=O)[O-])cc1 ZINC000004622591 406726547 /nfs/dbraw/zinc/72/65/47/406726547.db2.gz ADEFXYQDXASAJX-UHFFFAOYSA-N 0 0 301.266 1.488 50 5 DDBARN CCN1CCN(c2nc(NCC(C)C)nc(N)c2[N+](=O)[O-])CC1 ZINC000005051224 406728889 /nfs/dbraw/zinc/72/88/89/406728889.db2.gz BDHSIMYTULWCJV-UHFFFAOYSA-N 0 0 323.401 1.177 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccnc1 ZINC000010327906 406821523 /nfs/dbraw/zinc/82/15/23/406821523.db2.gz XKBXDFXQCAKKJB-UHFFFAOYSA-N 0 0 314.301 1.553 50 5 DDBARN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)nc2)nc1 ZINC000012823367 406852322 /nfs/dbraw/zinc/85/23/22/406852322.db2.gz MUBJPXLPHTZJTP-UHFFFAOYSA-N 0 0 315.333 1.834 50 5 DDBARN C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013100595 406858583 /nfs/dbraw/zinc/85/85/83/406858583.db2.gz QZRLDIGOLDSKGT-AOOOYVTPSA-N 0 0 311.313 1.782 50 5 DDBARN CCOC(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000015443117 406881608 /nfs/dbraw/zinc/88/16/08/406881608.db2.gz ADEPOMVYKKOHQI-UHFFFAOYSA-N 0 0 321.333 1.473 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000025348316 406897056 /nfs/dbraw/zinc/89/70/56/406897056.db2.gz NDXKKATUHGSSCA-UHFFFAOYSA-N 0 0 317.345 1.218 50 5 DDBARN CCS(=O)(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000071811007 406845332 /nfs/dbraw/zinc/84/53/32/406845332.db2.gz LUJHXVJOJDNUTQ-UHFFFAOYSA-N 0 0 301.368 1.678 50 5 DDBARN O=c1cc(Cn2cnc([N+](=O)[O-])c2)nc2ccc(Cl)cn12 ZINC000031804781 406942497 /nfs/dbraw/zinc/94/24/97/406942497.db2.gz KIUQOFVLGYJPDE-UHFFFAOYSA-N 0 0 305.681 1.501 50 5 DDBARN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1 ZINC000032932279 406957887 /nfs/dbraw/zinc/95/78/87/406957887.db2.gz AVUXGTAVPNLZIB-IHRRRGAJSA-N 0 0 320.345 1.851 50 5 DDBARN O=C(CCn1cccn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089421242 407133589 /nfs/dbraw/zinc/13/35/89/407133589.db2.gz QXJXROFAPWMOQB-UHFFFAOYSA-N 0 0 300.278 1.696 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000096010853 407223385 /nfs/dbraw/zinc/22/33/85/407223385.db2.gz QYQCSVASXRDXOU-UHFFFAOYSA-N 0 0 319.325 1.677 50 5 DDBARN CCc1oc(C(=O)OC)cc1Cn1cccc([N+](=O)[O-])c1=O ZINC000096455722 407269209 /nfs/dbraw/zinc/26/92/09/407269209.db2.gz IFMLVDWJRBDDCD-UHFFFAOYSA-N 0 0 306.274 1.747 50 5 DDBARN CCNC(=O)CN1CCN(c2sc([N+](=O)[O-])cc2C)CC1 ZINC000048342815 418470651 /nfs/dbraw/zinc/47/06/51/418470651.db2.gz XFIBKHIXKMOHGO-UHFFFAOYSA-N 0 0 312.395 1.223 50 5 DDBARN CC(C)C(=O)N[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000097046790 277334755 /nfs/dbraw/zinc/33/47/55/277334755.db2.gz BJIFBZFTFZPZCR-ZDUSSCGKSA-N 0 0 321.377 1.828 50 5 DDBARN CS(=O)(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000004543680 278110924 /nfs/dbraw/zinc/11/09/24/278110924.db2.gz ACUVKAHEKMVRGV-UHFFFAOYSA-N 0 0 319.770 1.330 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000217342216 279178682 /nfs/dbraw/zinc/17/86/82/279178682.db2.gz YPFUMAKGRZTFRY-ZAZJYDDPSA-N 0 0 300.270 1.428 50 5 DDBARN Cc1ccnc(N2CCN(c3ccc(N)nc3)CC2)c1[N+](=O)[O-] ZINC000096406518 281459177 /nfs/dbraw/zinc/45/91/77/281459177.db2.gz CKEIHRWFWUJYCI-UHFFFAOYSA-N 0 0 314.349 1.602 50 5 DDBARN CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000328593986 528939486 /nfs/dbraw/zinc/93/94/86/528939486.db2.gz GHMQQDQPWUJAGQ-JTQLQIEISA-N 0 0 309.322 1.700 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NC(=O)CSC[C@H]1CCCCO1 ZINC000585124613 771955987 /nfs/dbraw/zinc/95/59/87/771955987.db2.gz JMJDEVDQJSVGEK-SECBINFHSA-N 0 0 314.367 1.569 50 5 DDBARN Cn1c2ccccc2n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000095432535 185363923 /nfs/dbraw/zinc/36/39/23/185363923.db2.gz AMDGOJLVBIUYQE-OAHLLOKOSA-N 0 0 313.313 1.982 50 5 DDBARN NC(=O)C[C@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000095446182 185367687 /nfs/dbraw/zinc/36/76/87/185367687.db2.gz SKCNOXGCAUOJMZ-MRVPVSSYSA-N 0 0 309.351 1.538 50 5 DDBARN CNc1ccc(CN2CCN(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000097032626 185399299 /nfs/dbraw/zinc/39/92/99/185399299.db2.gz ZTVGMOWHCHBKEE-UHFFFAOYSA-N 0 0 321.381 1.436 50 5 DDBARN Cc1nnc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC000170608218 197789285 /nfs/dbraw/zinc/78/92/85/197789285.db2.gz RIFXAXXITHFBEM-UHFFFAOYSA-N 0 0 322.346 1.804 50 5 DDBARN CC(C)CNC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003509582 181028489 /nfs/dbraw/zinc/02/84/89/181028489.db2.gz FAYFYDRCFHDZEN-UHFFFAOYSA-N 0 0 310.306 1.289 50 5 DDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)c1cccn1C ZINC000004085427 181071474 /nfs/dbraw/zinc/07/14/74/181071474.db2.gz KFGJLTZNBONMEV-UHFFFAOYSA-N 0 0 303.274 1.763 50 5 DDBARN O=[N+]([O-])c1c2nonc2c(N2CCCCCC2)cc1NCCO ZINC000004179517 181082207 /nfs/dbraw/zinc/08/22/07/181082207.db2.gz DETHGGMNEFCYJQ-UHFFFAOYSA-N 0 0 321.337 1.916 50 5 DDBARN Cc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000004504709 181116896 /nfs/dbraw/zinc/11/68/96/181116896.db2.gz PUSNNOFQIQWMHQ-LLVKDONJSA-N 0 0 312.347 1.162 50 5 DDBARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc([N+](=O)[O-])o1 ZINC000005313515 181229121 /nfs/dbraw/zinc/22/91/21/181229121.db2.gz BZHOHCXKBHLZKC-UHFFFAOYSA-N 0 0 314.257 1.354 50 5 DDBARN Cc1ccc(OCC(=O)NC(=O)NC2CCCC2)c([N+](=O)[O-])n1 ZINC000005970195 181302078 /nfs/dbraw/zinc/30/20/78/181302078.db2.gz RUPGQKMXHMKFHV-UHFFFAOYSA-N 0 0 322.321 1.445 50 5 DDBARN Nc1nc(Nc2ccc(Cl)cc2)nc(NCCO)c1[N+](=O)[O-] ZINC000009328705 181614961 /nfs/dbraw/zinc/61/49/61/181614961.db2.gz SSPAXTRGMHANAL-UHFFFAOYSA-N 0 0 324.728 1.768 50 5 DDBARN O=C(CN1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000019853559 182157500 /nfs/dbraw/zinc/15/75/00/182157500.db2.gz UHIUSKATQDRPGM-UHFFFAOYSA-N 0 0 322.346 1.475 50 5 DDBARN Cc1c(C(=O)NCCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000020081887 182185310 /nfs/dbraw/zinc/18/53/10/182185310.db2.gz MNZQZDZPPMWCSQ-UHFFFAOYSA-N 0 0 307.350 1.355 50 5 DDBARN CCc1nnc2sc(CCn3nc(C)c([N+](=O)[O-])c3C)nn12 ZINC000020606304 182237692 /nfs/dbraw/zinc/23/76/92/182237692.db2.gz HALHPHNLHFZUBO-UHFFFAOYSA-N 0 0 321.366 1.712 50 5 DDBARN COC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 ZINC000022023159 182304686 /nfs/dbraw/zinc/30/46/86/182304686.db2.gz LNUFRLMDAUPATR-XYAOECAESA-N 0 0 306.322 1.655 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cccn1 ZINC000024806699 182391760 /nfs/dbraw/zinc/39/17/60/182391760.db2.gz VSRVSFDJDZKOHI-SNVBAGLBSA-N 0 0 304.306 1.618 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1nnc2ccccc21 ZINC000002779486 296227290 /nfs/dbraw/zinc/22/72/90/296227290.db2.gz OOSNFDIYOVAUKI-UHFFFAOYSA-N 0 0 313.229 1.936 50 5 DDBARN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1cccn1 ZINC000056812056 184019802 /nfs/dbraw/zinc/01/98/02/184019802.db2.gz NMLNNJCFZBPHIS-JTQLQIEISA-N 0 0 306.297 1.997 50 5 DDBARN CS(=O)(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000058147549 184080794 /nfs/dbraw/zinc/08/07/94/184080794.db2.gz VRONZJKZUFFERI-SECBINFHSA-N 0 0 317.342 1.570 50 5 DDBARN COC[C@@H]1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000297202501 285304697 /nfs/dbraw/zinc/30/46/97/285304697.db2.gz RMDYYLVUPKMYPN-LBPRGKRZSA-N 0 0 324.333 1.162 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]1Cc1ccccc1 ZINC000349916755 257236210 /nfs/dbraw/zinc/23/62/10/257236210.db2.gz XTQMRAPVJXUXSS-CYBMUJFWSA-N 0 0 300.318 1.635 50 5 DDBARN CCOC(=O)c1c[nH]nc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000041418 406616195 /nfs/dbraw/zinc/61/61/95/406616195.db2.gz REVXEPBOZLBURL-UHFFFAOYSA-N 0 0 318.289 1.676 50 5 DDBARN COc1cccc([C@@H]2c3c(C)[nH]nc3OC(N)=C2[N+](=O)[O-])c1 ZINC000000481918 406650415 /nfs/dbraw/zinc/65/04/15/406650415.db2.gz GUGCBPYKURWCMZ-LLVKDONJSA-N 0 0 302.290 1.656 50 5 DDBARN Cc1ccc(S(=O)(=O)N(C)Cc2nccn2C)c([N+](=O)[O-])c1 ZINC000069351536 406700884 /nfs/dbraw/zinc/70/08/84/406700884.db2.gz YVLLMJHRDDJLBO-UHFFFAOYSA-N 0 0 324.362 1.457 50 5 DDBARN Nc1nc(N2CCOCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000006317329 406737870 /nfs/dbraw/zinc/73/78/70/406737870.db2.gz FJHYUKOIOWLXEM-UHFFFAOYSA-N 0 0 322.369 1.548 50 5 DDBARN COc1ccc(CNC(=O)COc2cccnc2[N+](=O)[O-])cc1 ZINC000012533259 406846845 /nfs/dbraw/zinc/84/68/45/406846845.db2.gz LFSFPONRJMRNIL-UHFFFAOYSA-N 0 0 317.301 1.694 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000020405380 406887778 /nfs/dbraw/zinc/88/77/78/406887778.db2.gz PKYYLZODOGXZMK-GFCCVEGCSA-N 0 0 319.283 1.640 50 5 DDBARN Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(F)cc1 ZINC000033874842 406963375 /nfs/dbraw/zinc/96/33/75/406963375.db2.gz UDDXOOLFXIQKOW-UHFFFAOYSA-N 0 0 324.337 1.865 50 5 DDBARN CN(Cc1ccccn1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000044979564 407037149 /nfs/dbraw/zinc/03/71/49/407037149.db2.gz RPCSVPLXEIRLEL-UHFFFAOYSA-N 0 0 307.331 1.811 50 5 DDBARN Cc1cccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000039501439 407001331 /nfs/dbraw/zinc/00/13/31/407001331.db2.gz GPQFGUTXECCWFE-NSHDSACASA-N 0 0 323.305 1.280 50 5 DDBARN CCc1ccc([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000048222637 407091437 /nfs/dbraw/zinc/09/14/37/407091437.db2.gz JGCBZWSMARHCPF-JTQLQIEISA-N 0 0 303.322 1.626 50 5 DDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000089878666 407154933 /nfs/dbraw/zinc/15/49/33/407154933.db2.gz BMYRNXSILSAQLG-ZOWXZIJZSA-N 0 0 314.345 1.693 50 5 DDBARN NN=c1[nH]c(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000091694990 407182588 /nfs/dbraw/zinc/18/25/88/407182588.db2.gz BOMULEBKKFXBTI-UHFFFAOYSA-N 0 0 307.232 1.131 50 5 DDBARN Cn1nc(C2CCCC2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000097082030 407278804 /nfs/dbraw/zinc/27/88/04/407278804.db2.gz PTDQXJWLRSSMAC-UHFFFAOYSA-N 0 0 304.310 1.961 50 5 DDBARN Cc1nn(C)c(C)c1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000225553237 407596533 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/nfs/dbraw/zinc/08/88/76/181088876.db2.gz UHZHBEYLGMTKAQ-UHFFFAOYSA-N 0 0 315.351 1.048 50 5 DDBARN O=C1C[C@H](N2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000004872219 181167089 /nfs/dbraw/zinc/16/70/89/181167089.db2.gz YWUOUFBHZFMLNO-ZDUSSCGKSA-N 0 0 303.318 1.713 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000081487621 192274479 /nfs/dbraw/zinc/27/44/79/192274479.db2.gz FKZLIKNROYHYKC-UKRRQHHQSA-N 0 0 321.377 1.988 50 5 DDBARN Cc1cc(C(=O)NCc2nc(N(C)C)no2)cc([N+](=O)[O-])c1 ZINC000193882612 201137666 /nfs/dbraw/zinc/13/76/66/201137666.db2.gz MTPQOZSBZUIMCA-UHFFFAOYSA-N 0 0 305.294 1.282 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCOCC1 ZINC000017055995 182073435 /nfs/dbraw/zinc/07/34/35/182073435.db2.gz ZIKHDWGTWWZKME-UHFFFAOYSA-N 0 0 322.365 1.747 50 5 DDBARN Cc1cc(=O)n2nc(NCc3cccc([N+](=O)[O-])c3)[nH]c2n1 ZINC000018219893 182099575 /nfs/dbraw/zinc/09/95/75/182099575.db2.gz IQNTXUXCKANMHB-UHFFFAOYSA-N 0 0 300.278 1.659 50 5 DDBARN CCS(=O)(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019842682 182156730 /nfs/dbraw/zinc/15/67/30/182156730.db2.gz UZZLAGRPSAUYRG-UHFFFAOYSA-N 0 0 313.379 1.062 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC1 ZINC000019851459 182157354 /nfs/dbraw/zinc/15/73/54/182157354.db2.gz DMELNXGLOGXPSK-UHFFFAOYSA-N 0 0 309.322 1.264 50 5 DDBARN COc1ccc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])cc1C ZINC000019943347 182168823 /nfs/dbraw/zinc/16/88/23/182168823.db2.gz AMPCAQSBSLHNGB-UHFFFAOYSA-N 0 0 311.319 1.654 50 5 DDBARN COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000024723688 182388768 /nfs/dbraw/zinc/38/87/68/182388768.db2.gz GVZFMKUBQVOUIY-GFCCVEGCSA-N 0 0 308.334 1.841 50 5 DDBARN O=c1c2cc3c(ccn(C4CC4)c3=O)nc2ccn1-c1cc[nH]n1 ZINC000040399042 183061313 /nfs/dbraw/zinc/06/13/13/183061313.db2.gz HBOIRMPLYCAIEO-UHFFFAOYSA-N 0 0 319.324 1.759 50 5 DDBARN C[C@H]1C[C@@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000058308917 184103731 /nfs/dbraw/zinc/10/37/31/184103731.db2.gz APSRSNWYZIMRSK-GXSJLCMTSA-N 0 0 302.290 1.988 50 5 DDBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1n1cnnc1 ZINC000000344591 285018210 /nfs/dbraw/zinc/01/82/10/285018210.db2.gz FPDQCEWMGAIWNW-UHFFFAOYSA-N 0 0 309.241 1.272 50 5 DDBARN O=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000014330968 304330260 /nfs/dbraw/zinc/33/02/60/304330260.db2.gz XJFZSVIUVLSVGP-GFCCVEGCSA-N 0 0 320.349 1.065 50 5 DDBARN O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1cccnc1Cl ZINC000000215151 406630723 /nfs/dbraw/zinc/63/07/23/406630723.db2.gz TXGNTHPCOLFRJZ-UHFFFAOYSA-N 0 0 310.701 1.654 50 5 DDBARN Cc1nn(CCC(=O)N2C[C@@H](C)OC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000069655695 406751489 /nfs/dbraw/zinc/75/14/89/406751489.db2.gz JLXFJQBRUDVQCK-SNVBAGLBSA-N 0 0 324.381 1.824 50 5 DDBARN CCOC(=O)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000002863330 406706021 /nfs/dbraw/zinc/70/60/21/406706021.db2.gz UCMTXIBLYIVYFF-UHFFFAOYSA-N 0 0 324.318 1.836 50 5 DDBARN O=c1ccc([N+](=O)[O-])cn1Cc1noc(-c2ccc(F)cc2)n1 ZINC000012985478 406856779 /nfs/dbraw/zinc/85/67/79/406856779.db2.gz FUYZUNFQBOOPKL-UHFFFAOYSA-N 0 0 316.248 1.994 50 5 DDBARN COC(=O)c1cc(C(=O)OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000025396938 406897008 /nfs/dbraw/zinc/89/70/08/406897008.db2.gz XRTZOWZILUCSRB-LBPRGKRZSA-N 0 0 309.274 1.717 50 5 DDBARN C=CS(=O)(=O)N(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)C=C ZINC000035587997 406973634 /nfs/dbraw/zinc/97/36/34/406973634.db2.gz ZQOWUUACUWHTSX-UHFFFAOYSA-N 0 0 318.332 1.348 50 5 DDBARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000028326841 406917452 /nfs/dbraw/zinc/91/74/52/406917452.db2.gz FSHYQCVUNFDGGQ-GWCFXTLKSA-N 0 0 314.363 1.749 50 5 DDBARN CC[C@@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCO1 ZINC000030856717 406935213 /nfs/dbraw/zinc/93/52/13/406935213.db2.gz DWTDZBOBOOKXQO-CYBMUJFWSA-N 0 0 322.317 1.632 50 5 DDBARN CS(=O)(=O)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000095980551 407220613 /nfs/dbraw/zinc/22/06/13/407220613.db2.gz HQMXBWZGFTVWPR-UHFFFAOYSA-N 0 0 324.156 1.209 50 5 DDBARN O=C(NCC(F)(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000096005546 407222625 /nfs/dbraw/zinc/22/26/25/407222625.db2.gz VGKPACGYDVXFCC-JTQLQIEISA-N 0 0 317.223 1.766 50 5 DDBARN CCc1nccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096009513 407223791 /nfs/dbraw/zinc/22/37/91/407223791.db2.gz KXTRXGSRIKFIRS-UHFFFAOYSA-N 0 0 309.347 1.828 50 5 DDBARN Cn1cncc1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000170594361 407445978 /nfs/dbraw/zinc/44/59/78/407445978.db2.gz CXTQVJQOEJTSNL-UHFFFAOYSA-N 0 0 324.362 1.386 50 5 DDBARN O=C(N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(F)(F)Cl ZINC000170600965 407447171 /nfs/dbraw/zinc/44/71/71/407447171.db2.gz BJBCBIGDNNMZOE-UHFFFAOYSA-N 0 0 320.683 1.470 50 5 DDBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000046169965 418446422 /nfs/dbraw/zinc/44/64/22/418446422.db2.gz QGHBHBJAMXSCLK-CMPLNLGQSA-N 0 0 305.334 1.593 50 5 DDBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc[nH]c1=O ZINC000047546775 418458769 /nfs/dbraw/zinc/45/87/69/418458769.db2.gz LKOVHDOERXQYPA-UHFFFAOYSA-N 0 0 301.302 1.945 50 5 DDBARN O=[N+]([O-])c1cnc(N2CCOC[C@@H]2Cc2ccccc2)nc1 ZINC000354593953 306780057 /nfs/dbraw/zinc/78/00/57/306780057.db2.gz KWGXUTIPIDCMHY-ZDUSSCGKSA-N 0 0 300.318 1.833 50 5 DDBARN CCC[C@@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000440866016 420615456 /nfs/dbraw/zinc/61/54/56/420615456.db2.gz VMRRSMKBXVMZCO-LLVKDONJSA-N 0 0 313.379 1.357 50 5 DDBARN CC1=NN2C(=NC[C@@]2(O)c2cccc([N+](=O)[O-])c2)SC1=O ZINC000004528619 275926095 /nfs/dbraw/zinc/92/60/95/275926095.db2.gz QEBVBXUMINTFNL-GFCCVEGCSA-N 0 0 306.303 1.061 50 5 DDBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000016675799 280175815 /nfs/dbraw/zinc/17/58/15/280175815.db2.gz YTEDFCBCFDCRDW-BHTHQVBYSA-N 0 0 314.297 1.818 50 5 DDBARN CN(C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000069439731 282008513 /nfs/dbraw/zinc/00/85/13/282008513.db2.gz WQXDJPDLCPIQQC-UHFFFAOYSA-N 0 0 320.086 1.901 50 5 DDBARN C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[C@@H]1C ZINC000097115399 300298965 /nfs/dbraw/zinc/29/89/65/300298965.db2.gz QDRTZHLQNKWHQN-UWVGGRQHSA-N 0 0 313.379 1.725 50 5 DDBARN CCCn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000000470955 331463234 /nfs/dbraw/zinc/46/32/34/331463234.db2.gz ATQQTKGOSAOAQI-UHFFFAOYSA-N 0 0 306.282 1.009 50 5 DDBARN COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1 ZINC000005051023 536592795 /nfs/dbraw/zinc/59/27/95/536592795.db2.gz GVSLGKXFQFMTPR-UHFFFAOYSA-N 0 0 324.385 1.652 50 5 DDBARN CNC(=O)[C@H]1CCC[C@@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] ZINC000585093040 771942163 /nfs/dbraw/zinc/94/21/63/771942163.db2.gz ZIUMJSIEZPDDHZ-ONGXEEELSA-N 0 0 321.333 1.708 50 5 DDBARN CCOC(=O)[C@@H](C(=O)OC(C)(C)C)c1ccncc1[N+](=O)[O-] ZINC000095829592 185384061 /nfs/dbraw/zinc/38/40/61/185384061.db2.gz DYROSYKMPSCHIP-NSHDSACASA-N 0 0 310.306 1.978 50 5 DDBARN CN(C)C(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000097032624 185399239 /nfs/dbraw/zinc/39/92/39/185399239.db2.gz YQOCUKHPRWTUDP-FNORWQNLSA-N 0 0 318.377 1.907 50 5 DDBARN CN(C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000083844067 192386344 /nfs/dbraw/zinc/38/63/44/192386344.db2.gz FIRRJWFORCXTMQ-UHFFFAOYSA-N 0 0 316.155 1.882 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000133637625 186001801 /nfs/dbraw/zinc/00/18/01/186001801.db2.gz LUWJARGTKBHZKC-JTQLQIEISA-N 0 0 316.321 1.631 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@H](CO)CC1 ZINC000152692787 186098061 /nfs/dbraw/zinc/09/80/61/186098061.db2.gz ZTFFGHVMKCYMOL-OKILXGFUSA-N 0 0 321.377 1.988 50 5 DDBARN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000003893547 181053857 /nfs/dbraw/zinc/05/38/57/181053857.db2.gz ZNVSPVULONZAOG-SECBINFHSA-N 0 0 315.307 1.126 50 5 DDBARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000195566538 354297933 /nfs/dbraw/zinc/29/79/33/354297933.db2.gz FHAMQPDBNLRAKP-SNVBAGLBSA-N 0 0 315.333 1.427 50 5 DDBARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004504726 181117197 /nfs/dbraw/zinc/11/71/97/181117197.db2.gz UZBHGHKGPQCBNV-QMMMGPOBSA-N 0 0 318.738 1.165 50 5 DDBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCCO ZINC000004713024 181140830 /nfs/dbraw/zinc/14/08/30/181140830.db2.gz HRZQYMHZXWGUCS-UHFFFAOYSA-N 0 0 300.270 1.726 50 5 DDBARN Nc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000005125480 181206436 /nfs/dbraw/zinc/20/64/36/181206436.db2.gz SJWPOMOUCHTYFN-UHFFFAOYSA-N 0 0 323.286 1.918 50 5 DDBARN CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CC ZINC000005199390 181216517 /nfs/dbraw/zinc/21/65/17/181216517.db2.gz QOOOKRFYWXCNKD-LLVKDONJSA-N 0 0 324.333 1.604 50 5 DDBARN CCCNC(=O)[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005244751 181221096 /nfs/dbraw/zinc/22/10/96/181221096.db2.gz CDRAKZKSBOEREF-AEZGRPFRSA-N 0 0 305.334 1.639 50 5 DDBARN Cc1nn(C)c(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000005677811 181271522 /nfs/dbraw/zinc/27/15/22/181271522.db2.gz PPRYOKVHSSUPLB-UHFFFAOYSA-N 0 0 300.318 1.835 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)CCC2 ZINC000006119886 181313724 /nfs/dbraw/zinc/31/37/24/181313724.db2.gz RICMJXWYNKDCRV-UHFFFAOYSA-N 0 0 313.313 1.884 50 5 DDBARN O=[N+]([O-])c1cnn(Cc2nnnn2-c2ccccc2Cl)c1 ZINC000096193754 193572251 /nfs/dbraw/zinc/57/22/51/193572251.db2.gz NFKFVHPOQOTXGK-UHFFFAOYSA-N 0 0 305.685 1.469 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[S@@](=O)C(C)(C)C1 ZINC000096461646 193657662 /nfs/dbraw/zinc/65/76/62/193657662.db2.gz NQERRGHTHWFJOY-NRFANRHFSA-N 0 0 310.375 1.886 50 5 DDBARN NC(=O)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000016694750 182057942 /nfs/dbraw/zinc/05/79/42/182057942.db2.gz NDVUYYCXUFLGAF-UHFFFAOYSA-N 0 0 321.333 1.159 50 5 DDBARN Cc1c(NC(=O)NCC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000040526352 183092631 /nfs/dbraw/zinc/09/26/31/183092631.db2.gz ZWDGOCLRXQVIDO-UHFFFAOYSA-N 0 0 306.322 1.647 50 5 DDBARN CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000058147534 184081052 /nfs/dbraw/zinc/08/10/52/184081052.db2.gz VRONZJKZUFFERI-VIFPVBQESA-N 0 0 317.342 1.570 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000004530176 296508527 /nfs/dbraw/zinc/50/85/27/296508527.db2.gz JXDDVPGWKNDBTF-UHFFFAOYSA-N 0 0 300.170 1.797 50 5 DDBARN CS(=O)(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035516072 286612277 /nfs/dbraw/zinc/61/22/77/286612277.db2.gz ZPIDYZJZTUZJEJ-CQSZACIVSA-N 0 0 321.358 1.761 50 5 DDBARN C[C@H](c1nc2c3ccccc3ncn2n1)n1cc([N+](=O)[O-])cn1 ZINC000002806436 406700524 /nfs/dbraw/zinc/70/05/24/406700524.db2.gz VPVNUTLMRPIBET-SECBINFHSA-N 0 0 309.289 1.992 50 5 DDBARN CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)n1 ZINC000002796486 406702565 /nfs/dbraw/zinc/70/25/65/406702565.db2.gz VYTFFHMKTUFRBV-UHFFFAOYSA-N 0 0 318.289 1.850 50 5 DDBARN Cc1nnc(SCCc2ccc([N+](=O)[O-])cc2)n1CC(N)=O ZINC000069618459 406743656 /nfs/dbraw/zinc/74/36/56/406743656.db2.gz OEKIYLYLCUSMAQ-UHFFFAOYSA-N 0 0 321.362 1.315 50 5 DDBARN CC(C)C[NH2+][C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000003354664 406717099 /nfs/dbraw/zinc/71/70/99/406717099.db2.gz BDFATPKDJNCZEI-GFCCVEGCSA-N 0 0 309.322 1.622 50 5 DDBARN O=C(NCc1cccnc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010326800 406820954 /nfs/dbraw/zinc/82/09/54/406820954.db2.gz PFKSJUCPTQKABX-UHFFFAOYSA-N 0 0 318.264 1.384 50 5 DDBARN CCN(C[C@@H](O)c1cccc(O)c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000071285214 406836348 /nfs/dbraw/zinc/83/63/48/406836348.db2.gz OTTOJHQCFAMZLF-GFCCVEGCSA-N 0 0 319.321 1.233 50 5 DDBARN Cn1ncc2c1ncnc2NCCNc1ccccc1[N+](=O)[O-] ZINC000012486438 406847050 /nfs/dbraw/zinc/84/70/50/406847050.db2.gz DTRJEAYCOMWBEF-UHFFFAOYSA-N 0 0 313.321 1.796 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)NC3CC3)CC2)cc1 ZINC000013828899 406869303 /nfs/dbraw/zinc/86/93/03/406869303.db2.gz YLLPAJCMDGMSQI-UHFFFAOYSA-N 0 0 306.391 1.754 50 5 DDBARN Cc1nn(CC(=O)Nc2cccc3n[nH]nc32)c(C)c1[N+](=O)[O-] ZINC000019625985 406886205 /nfs/dbraw/zinc/88/62/05/406886205.db2.gz VJYHYJZHIDFIEC-UHFFFAOYSA-N 0 0 315.293 1.318 50 5 DDBARN Cn1cc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C ZINC000020443095 406887476 /nfs/dbraw/zinc/88/74/76/406887476.db2.gz UURJCCQGWKVZOY-UHFFFAOYSA-N 0 0 314.301 1.151 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cnn(C)c1 ZINC000029375635 406923759 /nfs/dbraw/zinc/92/37/59/406923759.db2.gz IHVLDCZHCYYFDV-UHFFFAOYSA-N 0 0 304.306 1.751 50 5 DDBARN Cc1cccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000053566016 407170715 /nfs/dbraw/zinc/17/07/15/407170715.db2.gz KNILXLPUKLORDW-JTQLQIEISA-N 0 0 312.347 1.162 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)CC1 ZINC000057050684 407212943 /nfs/dbraw/zinc/21/29/43/407212943.db2.gz VPUZXZPQVNBMGD-UHFFFAOYSA-N 0 0 301.350 1.651 50 5 DDBARN C[C@H](NC(=O)N(C)Cc1nc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000225854051 407609732 /nfs/dbraw/zinc/60/97/32/407609732.db2.gz VMKHDGUIGMEGSH-VIFPVBQESA-N 0 0 304.310 1.616 50 5 DDBARN CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc(C)n1C1CC1 ZINC000192747123 408640129 /nfs/dbraw/zinc/64/01/29/408640129.db2.gz 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COC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003888076 181053198 /nfs/dbraw/zinc/05/31/98/181053198.db2.gz LGIDJQYRGNVMQT-SSDOTTSWSA-N 0 0 308.743 1.561 50 5 DDBARN COc1ccc(S(=O)(=O)N2CC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000585134708 354811973 /nfs/dbraw/zinc/81/19/73/354811973.db2.gz HDHBLXYGYDQUQJ-MRVPVSSYSA-N 0 0 322.289 1.632 50 5 DDBARN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005251395 181221910 /nfs/dbraw/zinc/22/19/10/181221910.db2.gz PFVKISRMAQRWFX-UHFFFAOYSA-N 0 0 317.276 1.989 50 5 DDBARN Cc1cc(NC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])cc1C ZINC000005871185 181291726 /nfs/dbraw/zinc/29/17/26/181291726.db2.gz KIEOZFFMLUERGG-UHFFFAOYSA-N 0 0 305.290 1.299 50 5 DDBARN Cc1ccc(NCCNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000089652358 192835572 /nfs/dbraw/zinc/83/55/72/192835572.db2.gz STDAKJQXZOKSSO-UHFFFAOYSA-N 0 0 316.321 1.927 50 5 DDBARN Cc1[nH][nH]c(=O)c1C(c1ccc([N+](=O)[O-])o1)c1c(C)[nH][nH]c1=O ZINC000019930204 182165793 /nfs/dbraw/zinc/16/57/93/182165793.db2.gz 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ZINC000000344201 285018224 /nfs/dbraw/zinc/01/82/24/285018224.db2.gz YUCVCTHRXHEDMI-UHFFFAOYSA-N 0 0 309.241 1.272 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)c2ncccc12 ZINC000079060208 285128238 /nfs/dbraw/zinc/12/82/38/285128238.db2.gz UCNPJSLMCWVCIS-UHFFFAOYSA-N 0 0 307.331 1.378 50 5 DDBARN O=c1cc(C(F)(F)F)nc2nc3c(nnc4ccccc43)nn12 ZINC000001403382 285216750 /nfs/dbraw/zinc/21/67/50/285216750.db2.gz RKUCTXYOKNQEEH-UHFFFAOYSA-N 0 0 318.218 1.600 50 5 DDBARN O=c1c([N+](=O)[O-])c(-n2cnc3ccccc32)nc2ccccn12 ZINC000037162662 296527583 /nfs/dbraw/zinc/52/75/83/296527583.db2.gz NXACLIYDRIVUND-UHFFFAOYSA-N 0 0 307.269 1.942 50 5 DDBARN NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000000467030 406650839 /nfs/dbraw/zinc/65/08/39/406650839.db2.gz DYYXPIUNUKZXGY-UHFFFAOYSA-N 0 0 311.725 1.586 50 5 DDBARN Cc1nn(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000002776917 406697733 /nfs/dbraw/zinc/69/77/33/406697733.db2.gz HIARTZWIZXXOSR-NXEZZACHSA-N 0 0 310.354 1.434 50 5 DDBARN CCn1nccc1[C@H](C)NC(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000002805171 406701454 /nfs/dbraw/zinc/70/14/54/406701454.db2.gz ACIUEFNKLXLMDA-JTQLQIEISA-N 0 0 320.353 1.584 50 5 DDBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCn2ncnc21 ZINC000069560843 406733760 /nfs/dbraw/zinc/73/37/60/406733760.db2.gz HXWHEMAIKWYRHI-UHFFFAOYSA-N 0 0 323.334 1.094 50 5 DDBARN CN(C[C@H]1COc2ccccc2O1)c1c([N+](=O)[O-])ncn1C ZINC000007124334 406750908 /nfs/dbraw/zinc/75/09/08/406750908.db2.gz GNILTHJIDSNLSX-JTQLQIEISA-N 0 0 304.306 1.605 50 5 DDBARN COC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000011225346 406826009 /nfs/dbraw/zinc/82/60/09/406826009.db2.gz ORQXOBSJXMKGOQ-MRVPVSSYSA-N 0 0 308.290 1.887 50 5 DDBARN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2sccc2C1 ZINC000012216305 406838296 /nfs/dbraw/zinc/83/82/96/406838296.db2.gz PAPZZRUGVMUCBR-UHFFFAOYSA-N 0 0 305.315 1.543 50 5 DDBARN Cc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])C1C(=O)OCC1=N2 ZINC000020086537 406886172 /nfs/dbraw/zinc/88/61/72/406886172.db2.gz 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ZINC000095941766 407215221 /nfs/dbraw/zinc/21/52/21/407215221.db2.gz RIGJHZBQYOGJMB-UHFFFAOYSA-N 0 0 305.342 1.645 50 5 DDBARN CC(C)c1nc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000096446600 407267376 /nfs/dbraw/zinc/26/73/76/407267376.db2.gz CUPPRGDCQCZDNQ-UHFFFAOYSA-N 0 0 324.362 1.920 50 5 DDBARN Cc1nn(C)c(C(=O)N[C@H](C)CNc2ccccc2)c1[N+](=O)[O-] ZINC000096495426 407273522 /nfs/dbraw/zinc/27/35/22/407273522.db2.gz XMFKPHRODIDDMA-SNVBAGLBSA-N 0 0 317.349 1.867 50 5 DDBARN NC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000098055556 407305192 /nfs/dbraw/zinc/30/51/92/407305192.db2.gz RNNLBJLEAPROEX-WUWIAWFRSA-N 0 0 307.281 1.081 50 5 DDBARN NC(=O)c1nn(CCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000170600324 407448331 /nfs/dbraw/zinc/44/83/31/407448331.db2.gz JNRHCIHSUXHMNS-UHFFFAOYSA-N 0 0 310.697 1.623 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000169616397 408819960 /nfs/dbraw/zinc/81/99/60/408819960.db2.gz HOTHFYFSLVLRHY-ZAZJYDDPSA-N 0 0 300.270 1.428 50 5 DDBARN CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000047249825 418454304 /nfs/dbraw/zinc/45/43/04/418454304.db2.gz MCRXUZBZRJSKCR-NEPJUHHUSA-N 0 0 305.334 1.819 50 5 DDBARN CCOc1cc(Cn2nc3ccccn3c2=O)ccc1[N+](=O)[O-] ZINC000408514600 418806009 /nfs/dbraw/zinc/80/60/09/418806009.db2.gz ONXOWPKYVDJWEC-UHFFFAOYSA-N 0 0 314.301 1.851 50 5 DDBARN CC(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000004853119 278051426 /nfs/dbraw/zinc/05/14/26/278051426.db2.gz RKLNTKPFYFPJFA-UHFFFAOYSA-N 0 0 314.363 1.739 50 5 DDBARN C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C ZINC000097082687 278557381 /nfs/dbraw/zinc/55/73/81/278557381.db2.gz YKKQNJRAOBRAMJ-ZJUUUORDSA-N 0 0 313.379 1.725 50 5 DDBARN CN(C)C(=O)[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000028623870 289000364 /nfs/dbraw/zinc/00/03/64/289000364.db2.gz ONLSGBGHVIKUJR-QMMMGPOBSA-N 0 0 309.351 1.361 50 5 DDBARN Cc1nn(C)c(N2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000097086186 302785970 /nfs/dbraw/zinc/78/59/70/302785970.db2.gz LXFWSKIXNCUSDV-LLVKDONJSA-N 0 0 310.354 1.616 50 5 DDBARN CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000169863437 484093388 /nfs/dbraw/zinc/09/33/88/484093388.db2.gz CKZSQIZHNWXQBC-SNVBAGLBSA-N 0 0 314.363 1.529 50 5 DDBARN COc1cc(C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000000263437 500838009 /nfs/dbraw/zinc/83/80/09/500838009.db2.gz XXSWHHRXLZLPDA-SECBINFHSA-N 0 0 310.306 1.521 50 5 DDBARN CNC(=O)C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000096947493 185393456 /nfs/dbraw/zinc/39/34/56/185393456.db2.gz JXDMWJCATLSRHL-WAYWQWQTSA-N 0 0 317.345 1.593 50 5 DDBARN O=C(Cc1noc([C@@H]2CC2[N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000095394459 185352369 /nfs/dbraw/zinc/35/23/69/185352369.db2.gz LCWAXCFLHYXSJT-NXEZZACHSA-N 0 0 306.253 1.523 50 5 DDBARN Cn1c(S[C@H]2CCOC2=O)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001426997 180865213 /nfs/dbraw/zinc/86/52/13/180865213.db2.gz LLEUYJBAUOMGLO-JTQLQIEISA-N 0 0 320.330 1.798 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003833599 181047856 /nfs/dbraw/zinc/04/78/56/181047856.db2.gz XCAHTMBDHNJCIZ-UHFFFAOYSA-N 0 0 305.250 1.647 50 5 DDBARN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl ZINC000004175777 181081460 /nfs/dbraw/zinc/08/14/60/181081460.db2.gz UCXIUCULNQFYQG-MRVPVSSYSA-N 0 0 320.754 1.706 50 5 DDBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000004505135 181117078 /nfs/dbraw/zinc/11/70/78/181117078.db2.gz KNHNLAVXKADGHI-ZDUSSCGKSA-N 0 0 312.347 1.244 50 5 DDBARN COc1cccc(CNC(=O)CCCn2cc([N+](=O)[O-])cn2)c1 ZINC000004753646 181148238 /nfs/dbraw/zinc/14/82/38/181148238.db2.gz PJJHVVSDOJQHDH-UHFFFAOYSA-N 0 0 318.333 1.897 50 5 DDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CC1 ZINC000005688281 181272639 /nfs/dbraw/zinc/27/26/39/181272639.db2.gz MEPJILMZZQFQQU-UHFFFAOYSA-N 0 0 311.363 1.954 50 5 DDBARN CCN(CC(=O)NC(C)C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005689397 181272985 /nfs/dbraw/zinc/27/29/85/181272985.db2.gz CCPCCYHQWOJTMV-UHFFFAOYSA-N 0 0 308.338 1.045 50 5 DDBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCc1cccs1 ZINC000008329031 181549314 /nfs/dbraw/zinc/54/93/14/181549314.db2.gz VNBNEZXWUZFDHT-QMMMGPOBSA-N 0 0 323.330 1.846 50 5 DDBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000020457249 182220287 /nfs/dbraw/zinc/22/02/87/182220287.db2.gz JEDQQEKRVGODPB-UHFFFAOYSA-N 0 0 307.306 1.966 50 5 DDBARN C[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000022612104 182327795 /nfs/dbraw/zinc/32/77/95/182327795.db2.gz CSTDQUBHRNOSOF-TXEJJXNPSA-N 0 0 307.350 1.434 50 5 DDBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCc1cnn(C)c1 ZINC000042729443 183302801 /nfs/dbraw/zinc/30/28/01/183302801.db2.gz FWRSCXKMUIDPMJ-UHFFFAOYSA-N 0 0 317.349 1.367 50 5 DDBARN C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CO1 ZINC000106116003 194187370 /nfs/dbraw/zinc/18/73/70/194187370.db2.gz NKZAHOFJPWWWHT-NWDGAFQWSA-N 0 0 317.349 1.920 50 5 DDBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1 ZINC000057839982 296498194 /nfs/dbraw/zinc/49/81/94/296498194.db2.gz QYGXCBAIUFWPMV-UHFFFAOYSA-N 0 0 324.280 1.848 50 5 DDBARN Cc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1[N+](=O)[O-] ZINC000002359817 406686150 /nfs/dbraw/zinc/68/61/50/406686150.db2.gz DBTJMKVLNTUMQK-LLVKDONJSA-N 0 0 309.347 1.463 50 5 DDBARN CSC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002711369 406695552 /nfs/dbraw/zinc/69/55/52/406695552.db2.gz LXIWXKLPOLTNIC-UHFFFAOYSA-N 0 0 301.349 1.318 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000007020426 406747324 /nfs/dbraw/zinc/74/73/24/406747324.db2.gz NCIBQSZCPOFXLS-GXTWGEPZSA-N 0 0 319.361 1.938 50 5 DDBARN NC(=O)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000069699015 406758067 /nfs/dbraw/zinc/75/80/67/406758067.db2.gz XNJVHRGOOBKOQW-LLVKDONJSA-N 0 0 318.308 1.885 50 5 DDBARN C/C(=N\NC(=O)C1=CC[C@H]([N+](=O)[O-])C=C1)c1ccc(N)cc1 ZINC000004947949 406728518 /nfs/dbraw/zinc/72/85/18/406728518.db2.gz JHKRPAURHADAPZ-NGWPFTMJSA-N 0 0 300.318 1.641 50 5 DDBARN Nc1nc(NC[C@@H]2CCCO2)nc(N2CCCCC2)c1[N+](=O)[O-] ZINC000005033189 406729010 /nfs/dbraw/zinc/72/90/10/406729010.db2.gz JNQPUBTUSYLJRT-JTQLQIEISA-N 0 0 322.369 1.548 50 5 DDBARN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000075142990 406924457 /nfs/dbraw/zinc/92/44/57/406924457.db2.gz URAZIWDNYHOBNY-QMMMGPOBSA-N 0 0 318.255 1.873 50 5 DDBARN CNC(=O)c1cc(C(=O)COc2cccc([N+](=O)[O-])c2)cn1C ZINC000031840534 406943506 /nfs/dbraw/zinc/94/35/06/406943506.db2.gz PBIGLAWTRJJMOO-UHFFFAOYSA-N 0 0 317.301 1.555 50 5 DDBARN O=C(C[C@H]1C=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000033110936 406960024 /nfs/dbraw/zinc/96/00/24/406960024.db2.gz CNCSDPQULNWENS-ZDUSSCGKSA-N 0 0 316.361 1.995 50 5 DDBARN Cc1cnc(N2CCO[C@](C)(c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000089580196 407141284 /nfs/dbraw/zinc/14/12/84/407141284.db2.gz LCSSGYUDCYEISF-HNNXBMFYSA-N 0 0 317.349 1.784 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccc(Cl)cc32)c1 ZINC000089807088 407151002 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Nc1nccc(C(=O)NC[C@H](O)C2CCCCC2)c1[N+](=O)[O-] ZINC000408515238 418806150 /nfs/dbraw/zinc/80/61/50/418806150.db2.gz MXLSFHCROXPZNL-NSHDSACASA-N 0 0 308.338 1.243 50 5 DDBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000004608410 275769342 /nfs/dbraw/zinc/76/93/42/275769342.db2.gz NFWBCEBMWWVJIP-VIFPVBQESA-N 0 0 308.294 1.560 50 5 DDBARN CC1CCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005215649 276200139 /nfs/dbraw/zinc/20/01/39/276200139.db2.gz YZCBUEKJJUGJGQ-UHFFFAOYSA-N 0 0 322.369 1.040 50 5 DDBARN CC[C@H]1CCCCN1S(=O)(=O)c1c([N+](=O)[O-])ncn1C ZINC000069738401 288198655 /nfs/dbraw/zinc/19/86/55/288198655.db2.gz ZXDMVOOXRIIEON-VIFPVBQESA-N 0 0 302.356 1.282 50 5 DDBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](CO)[C@H](O)C1 ZINC000170091032 280356995 /nfs/dbraw/zinc/35/69/95/280356995.db2.gz MQIKRCTVGFTIAB-QPUJVOFHSA-N 0 0 320.267 1.793 50 5 DDBARN CC(=O)N(C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000585128708 771960554 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YXEIVYFULDGAEL-JLTPVHFHSA-N 0 0 313.379 1.158 50 5 DDBARN Cc1nn(C)c(NCCCc2nnc3ccccn32)c1[N+](=O)[O-] ZINC000096446523 407267763 /nfs/dbraw/zinc/26/77/63/407267763.db2.gz JIECNLZZJMAJOU-UHFFFAOYSA-N 0 0 315.337 1.724 50 5 DDBARN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000067171675 407268707 /nfs/dbraw/zinc/26/87/07/407268707.db2.gz YBQSJQYCPBQWKP-MWLCHTKSSA-N 0 0 311.725 1.693 50 5 DDBARN CC(C)(C)OC(=O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000067172800 407268784 /nfs/dbraw/zinc/26/87/84/407268784.db2.gz PFHWGECGAWICPN-UHFFFAOYSA-N 0 0 301.320 1.710 50 5 DDBARN CS(=O)(=O)c1ccccc1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000067168606 407268915 /nfs/dbraw/zinc/26/89/15/407268915.db2.gz XAZWJKDJVWTZIS-UHFFFAOYSA-N 0 0 321.314 1.646 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cncs3)CC2)nc1 ZINC000096489667 407272314 /nfs/dbraw/zinc/27/23/14/407272314.db2.gz FFQYQOLUZZSWTH-UHFFFAOYSA-N 0 0 305.363 1.769 50 5 DDBARN Cc1nn(C)c(NCCc2nnc3n2CCCC3)c1[N+](=O)[O-] ZINC000097373102 407292383 /nfs/dbraw/zinc/29/23/83/407292383.db2.gz UYRFZDQSEGPMNZ-UHFFFAOYSA-N 0 0 305.342 1.219 50 5 DDBARN CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2ncon2)c1[N+](=O)[O-] ZINC000185698245 407479250 /nfs/dbraw/zinc/47/92/50/407479250.db2.gz NASHLDPGSFZWKA-VIFPVBQESA-N 0 0 320.309 1.631 50 5 DDBARN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@]1(CO)CCOC1 ZINC000170594835 407445375 /nfs/dbraw/zinc/44/53/75/407445375.db2.gz ZXVVWEJVSFUCAC-KWEXDPCDSA-N 0 0 310.281 1.015 50 5 DDBARN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CN(C2CC2)CCO1 ZINC000192575485 418524871 /nfs/dbraw/zinc/52/48/71/418524871.db2.gz FDAOYEYMQHQFJB-GFCCVEGCSA-N 0 0 309.370 1.395 50 5 DDBARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2[N+](=O)[O-])S1 ZINC000000201268 277023666 /nfs/dbraw/zinc/02/36/66/277023666.db2.gz XAAHPNXSLGNUMI-NSHDSACASA-N 0 0 308.319 1.596 50 5 DDBARN O=C1NC(=O)/C(=C\NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000102387146 696610401 /nfs/dbraw/zinc/61/04/01/696610401.db2.gz GBWSBRMYVQEVIW-UVTDQMKNSA-N 0 0 323.308 1.996 50 5 DDBARN CCc1nsc(SCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000095446264 185367571 /nfs/dbraw/zinc/36/75/71/185367571.db2.gz VAKMJXWWOAWJEK-UHFFFAOYSA-N 0 0 312.376 1.963 50 5 DDBARN CCn1cc(N(CC(C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000585087519 539556305 /nfs/dbraw/zinc/55/63/05/539556305.db2.gz CGXPYLWHJROHSR-UHFFFAOYSA-N 0 0 320.353 1.697 50 5 DDBARN COC(=O)c1cc(Cn2cccc([N+](=O)[O-])c2=O)c(C)s1 ZINC000084028532 192396724 /nfs/dbraw/zinc/39/67/24/192396724.db2.gz BZKFMOVPGYDWJJ-UHFFFAOYSA-N 0 0 308.315 1.961 50 5 DDBARN O=C(c1cc[nH]n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072290003 191108390 /nfs/dbraw/zinc/10/83/90/191108390.db2.gz KPMOJMCXJVRNRH-SECBINFHSA-N 0 0 302.294 1.040 50 5 DDBARN C[C@H]([C@H](O)c1cc(=O)c(OCc2ccccc2)co1)[N+](=O)[O-] ZINC000000480939 180804291 /nfs/dbraw/zinc/80/42/91/180804291.db2.gz ZBINPMGAVPHASE-BMIGLBTASA-N 0 0 305.286 1.917 50 5 DDBARN O=C(Nc1nnc(C2=COCCO2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000004264385 181089544 /nfs/dbraw/zinc/08/95/44/181089544.db2.gz URPSDNDKRGVAPU-UHFFFAOYSA-N 0 0 318.245 1.575 50 5 DDBARN Cc1nn(C)cc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004651776 181132002 /nfs/dbraw/zinc/13/20/02/181132002.db2.gz LVIKUGJYRUUAST-UHFFFAOYSA-N 0 0 324.362 1.457 50 5 DDBARN Cc1nc2c(c(=O)[nH]1)CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000585132741 354811337 /nfs/dbraw/zinc/81/13/37/354811337.db2.gz RLAMYAXEOARVBB-UHFFFAOYSA-N 0 0 307.697 1.967 50 5 DDBARN Cc1ccnc(NC[C@@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000585142413 354815598 /nfs/dbraw/zinc/81/55/98/354815598.db2.gz WQMLGDDGVJTJPO-LBPRGKRZSA-N 0 0 305.338 1.295 50 5 DDBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NC(C)C ZINC000004810917 181154837 /nfs/dbraw/zinc/15/48/37/181154837.db2.gz QJUQYKUPJLCYIR-SSDOTTSWSA-N 0 0 319.159 1.948 50 5 DDBARN CS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000005688536 181272700 /nfs/dbraw/zinc/27/27/00/181272700.db2.gz JWSXUZMEZMZHNO-VIFPVBQESA-N 0 0 300.336 1.589 50 5 DDBARN CC(=O)OCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005833773 181287694 /nfs/dbraw/zinc/28/76/94/181287694.db2.gz VJPYRHQDYZFIQA-UHFFFAOYSA-N 0 0 306.274 1.534 50 5 DDBARN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cccnc1 ZINC000240321536 202455901 /nfs/dbraw/zinc/45/59/01/202455901.db2.gz FAEAPKZSVUWKJP-UHFFFAOYSA-N 0 0 310.107 1.962 50 5 DDBARN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000264800175 204166728 /nfs/dbraw/zinc/16/67/28/204166728.db2.gz UKMVOSKIDNLURP-JTQLQIEISA-N 0 0 302.290 1.605 50 5 DDBARN COc1cccc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000008318887 181547577 /nfs/dbraw/zinc/54/75/77/181547577.db2.gz OSXATWGTHZVKJU-UHFFFAOYSA-N 0 0 317.349 1.664 50 5 DDBARN CC(=O)N=c1sccn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013111253 181828717 /nfs/dbraw/zinc/82/87/17/181828717.db2.gz QRUJUBAZSXGARF-YPKPFQOOSA-N 0 0 305.315 1.788 50 5 DDBARN O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCOCC1 ZINC000000208482 296194112 /nfs/dbraw/zinc/19/41/12/296194112.db2.gz CFIQVWWGTNUOJB-UHFFFAOYSA-N 0 0 304.258 1.174 50 5 DDBARN O=C(C1CCC1)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020405976 182215275 /nfs/dbraw/zinc/21/52/75/182215275.db2.gz QWGHIRUOLKNJIN-UHFFFAOYSA-N 0 0 304.350 1.829 50 5 DDBARN Cc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000022228203 182313386 /nfs/dbraw/zinc/31/33/86/182313386.db2.gz OTPVEPDUJWMDHV-RYUDHWBXSA-N 0 0 307.350 1.951 50 5 DDBARN Cc1ccc(NC(=O)COC(=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000024934680 182395349 /nfs/dbraw/zinc/39/53/49/182395349.db2.gz YBXJEEYXPMFSDO-UHFFFAOYSA-N 0 0 322.317 1.812 50 5 DDBARN CCCNC(=O)CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000029622373 182572298 /nfs/dbraw/zinc/57/22/98/182572298.db2.gz KIZYCUXERTYZGP-UHFFFAOYSA-N 0 0 321.381 1.392 50 5 DDBARN Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-] ZINC000043148040 183341204 /nfs/dbraw/zinc/34/12/04/183341204.db2.gz YJWCXGRSSFNHNS-UHFFFAOYSA-N 0 0 316.321 1.763 50 5 DDBARN CN(CCCOc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000053836293 183914077 /nfs/dbraw/zinc/91/40/77/183914077.db2.gz JFARELNPWHPYHK-UHFFFAOYSA-N 0 0 319.321 1.114 50 5 DDBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc[nH]c1=O ZINC000058432996 184117977 /nfs/dbraw/zinc/11/79/77/184117977.db2.gz OKAYMYDBBOMYHH-UHFFFAOYSA-N 0 0 312.285 1.877 50 5 DDBARN C[C@@H]1CN=C(N2CCN(c3ncccc3[N+](=O)[O-])CC2)S1 ZINC000096424090 257210595 /nfs/dbraw/zinc/21/05/95/257210595.db2.gz APLYUNIEHGAZRR-SNVBAGLBSA-N 0 0 307.379 1.603 50 5 DDBARN O=C(NC(=S)NN1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000000143316 406626567 /nfs/dbraw/zinc/62/65/67/406626567.db2.gz ULTYPEXTGRFFQO-UHFFFAOYSA-N 0 0 314.392 1.662 50 5 DDBARN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000000209608 406631574 /nfs/dbraw/zinc/63/15/74/406631574.db2.gz XVENDFRFPBJYCR-NXEZZACHSA-N 0 0 300.336 1.393 50 5 DDBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000000245077 406634429 /nfs/dbraw/zinc/63/44/29/406634429.db2.gz XPFTUNNRVYWTAF-UHFFFAOYSA-N 0 0 310.273 1.823 50 5 DDBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000458368 406649797 /nfs/dbraw/zinc/64/97/97/406649797.db2.gz GZCLKCYWIIXQKK-GFCCVEGCSA-N 0 0 321.289 1.404 50 5 DDBARN Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1[N+](=O)[O-] ZINC000000462406 406651273 /nfs/dbraw/zinc/65/12/73/406651273.db2.gz SFMYHAGRXPTNBA-UHFFFAOYSA-N 0 0 301.258 1.733 50 5 DDBARN Cc1nn(C)c(C(=O)Nc2nnc(C3CC3)s2)c1[N+](=O)[O-] ZINC000002778116 406697693 /nfs/dbraw/zinc/69/76/93/406697693.db2.gz CERXMKYYZCLNNA-UHFFFAOYSA-N 0 0 308.323 1.618 50 5 DDBARN COC(=O)c1ccc(NCCNc2ccccc2[N+](=O)[O-])nn1 ZINC000069532585 406731605 /nfs/dbraw/zinc/73/16/05/406731605.db2.gz IJXPBXFIMMUNLQ-UHFFFAOYSA-N 0 0 317.305 1.695 50 5 DDBARN CCCCNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025372150 406896727 /nfs/dbraw/zinc/89/67/27/406896727.db2.gz HYPSTKGBKPPHHW-UHFFFAOYSA-N 0 0 320.393 1.633 50 5 DDBARN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000032932565 406957376 /nfs/dbraw/zinc/95/73/76/406957376.db2.gz JKYMKFYKYKLAGY-VHSXEESVSA-N 0 0 304.224 1.867 50 5 DDBARN Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000048305781 407095030 /nfs/dbraw/zinc/09/50/30/407095030.db2.gz TXECRYWSBFLGBJ-UHFFFAOYSA-N 0 0 316.317 1.854 50 5 DDBARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000052992343 407162119 /nfs/dbraw/zinc/16/21/19/407162119.db2.gz HWEIUQRIXPKKRB-ZIAGYGMSSA-N 0 0 323.393 1.339 50 5 DDBARN COc1ccc(Cc2noc([C@@H]3CC3[N+](=O)[O-])n2)cc1OC ZINC000096405296 407261035 /nfs/dbraw/zinc/26/10/35/407261035.db2.gz ZTOPKNJUUAMGFO-NXEZZACHSA-N 0 0 305.290 1.810 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@H](O)COc2cccc3[nH]ccc32)n1 ZINC000095438915 407214448 /nfs/dbraw/zinc/21/44/48/407214448.db2.gz XRCOAYRBLLGKCI-VIFPVBQESA-N 0 0 303.278 1.108 50 5 DDBARN CC(C)[C@H](C(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC1=O ZINC000067168702 407268936 /nfs/dbraw/zinc/26/89/36/407268936.db2.gz BLSKNMZYDYDODL-CYBMUJFWSA-N 0 0 306.322 1.575 50 5 DDBARN Cc1cnc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000097115515 407280959 /nfs/dbraw/zinc/28/09/59/407280959.db2.gz NJGAZNOAXGLGAP-UHFFFAOYSA-N 0 0 311.319 1.511 50 5 DDBARN Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000097114074 407281379 /nfs/dbraw/zinc/28/13/79/407281379.db2.gz ITPCWOPCLPFUAR-VIFPVBQESA-N 0 0 312.713 1.588 50 5 DDBARN Cc1cc(NC(=O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097142412 407282749 /nfs/dbraw/zinc/28/27/49/407282749.db2.gz MFEOVNBYHACTHQ-UHFFFAOYSA-N 0 0 312.289 1.682 50 5 DDBARN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@]1(CO)CCOC1 ZINC000170594834 407444927 /nfs/dbraw/zinc/44/49/27/407444927.db2.gz ZXVVWEJVSFUCAC-PMUGQKEBSA-N 0 0 310.281 1.015 50 5 DDBARN Cc1nn(C)c(NCc2ccc3[nH]c(=O)[nH]c3c2)c1[N+](=O)[O-] ZINC000170594149 407446125 /nfs/dbraw/zinc/44/61/25/407446125.db2.gz YABMCGMEOWGPAE-UHFFFAOYSA-N 0 0 302.294 1.418 50 5 DDBARN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1COc2ccccc2C1 ZINC000048270413 418468558 /nfs/dbraw/zinc/46/85/58/418468558.db2.gz JELDZCZLJGCPJA-NSHDSACASA-N 0 0 316.317 1.159 50 5 DDBARN Nc1nc(N2CCCCCC2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000004306432 279707874 /nfs/dbraw/zinc/70/78/74/279707874.db2.gz LUSXTZBVZVJLLC-UHFFFAOYSA-N 0 0 322.369 1.184 50 5 DDBARN CC1=NN[C@@]2(C)Nc3ncnn3[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000001405684 281703373 /nfs/dbraw/zinc/70/33/73/281703373.db2.gz KNJBPUYAXUVFLK-YRGRVCCFSA-N 0 0 313.321 1.513 50 5 DDBARN CC(C)CCNC(=O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000098000703 696606346 /nfs/dbraw/zinc/60/63/46/696606346.db2.gz XWEMJXURJXHKKB-YVMONPNESA-N 0 0 319.361 1.887 50 5 DDBARN COC(=O)C1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000585089538 771940613 /nfs/dbraw/zinc/94/06/13/771940613.db2.gz VJMJOFSFGJQZOS-UHFFFAOYSA-N 0 0 310.281 1.346 50 5 DDBARN CCC(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000095432612 185363909 /nfs/dbraw/zinc/36/39/09/185363909.db2.gz IYBULQINXGCBRL-AWEZNQCLSA-N 0 0 307.350 1.182 50 5 DDBARN COc1nn([C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000072334177 191126157 /nfs/dbraw/zinc/12/61/57/191126157.db2.gz VTASYOJSDFTODN-SECBINFHSA-N 0 0 306.326 1.727 50 5 DDBARN O=C(NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000154090 180710437 /nfs/dbraw/zinc/71/04/37/180710437.db2.gz YJYDYFCJQVOWGK-CQSZACIVSA-N 0 0 316.313 1.765 50 5 DDBARN Nc1nc(-c2cccnc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000612257 180828323 /nfs/dbraw/zinc/82/83/23/180828323.db2.gz UEMRJCHQHOHJTG-UHFFFAOYSA-N 0 0 310.273 1.519 50 5 DDBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000075260474 353356729 /nfs/dbraw/zinc/35/67/29/353356729.db2.gz ZIDHHBIOMDZVMK-UHFFFAOYSA-N 0 0 304.262 1.792 50 5 DDBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000084502363 353723824 /nfs/dbraw/zinc/72/38/24/353723824.db2.gz SXJXZSBACBEXGJ-AWEZNQCLSA-N 0 0 319.361 1.070 50 5 DDBARN CC(C)(C)NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000003359920 181010915 /nfs/dbraw/zinc/01/09/15/181010915.db2.gz ZBEQUWHNSVKCCL-UHFFFAOYSA-N 0 0 304.306 1.219 50 5 DDBARN CCOc1ccccc1CNC(=O)c1[nH]nc(OC)c1[N+](=O)[O-] ZINC000004631395 181131013 /nfs/dbraw/zinc/13/10/13/181131013.db2.gz 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/nfs/dbraw/zinc/47/15/23/202471523.db2.gz YFYHKKLXYXJTQC-LADRHHBVSA-N 0 0 311.363 1.970 50 5 DDBARN COC(=O)[C@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000275485639 212364591 /nfs/dbraw/zinc/36/45/91/212364591.db2.gz XZDWLBZRQNWLJE-HNNXBMFYSA-N 0 0 322.317 1.771 50 5 DDBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCc1cccs1 ZINC000008329032 181549401 /nfs/dbraw/zinc/54/94/01/181549401.db2.gz VNBNEZXWUZFDHT-MRVPVSSYSA-N 0 0 323.330 1.846 50 5 DDBARN COc1cc(C=C2NC(=S)NC2=O)c([N+](=O)[O-])cc1OC ZINC000016671487 182056583 /nfs/dbraw/zinc/05/65/83/182056583.db2.gz AGKHHENBPNCKDW-CLTKARDFSA-N 0 0 309.303 1.369 50 5 DDBARN CCC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O ZINC000019324934 182116311 /nfs/dbraw/zinc/11/63/11/182116311.db2.gz IXLSKYLNPLULOT-UHFFFAOYSA-N 0 0 305.334 1.803 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])ccc1=O)N1CCc2ccccc21 ZINC000040025037 183029261 /nfs/dbraw/zinc/02/92/61/183029261.db2.gz DREUOJJLGPCMTL-UHFFFAOYSA-N 0 0 313.313 1.736 50 5 DDBARN 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CC1(C)C[C@@H](O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC000585131166 422309728 /nfs/dbraw/zinc/30/97/28/422309728.db2.gz NNBOZBVBDWDRND-JTQLQIEISA-N 0 0 308.338 1.195 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCC4)C2)cn1 ZINC000344435219 272026076 /nfs/dbraw/zinc/02/60/76/272026076.db2.gz OZPMJDXIQSPIBI-NSHDSACASA-N 0 0 314.349 1.912 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000095351525 280366390 /nfs/dbraw/zinc/36/63/90/280366390.db2.gz UOBLZRBDPWWLEL-NSHDSACASA-N 0 0 318.293 1.764 50 5 DDBARN Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000097143899 294390260 /nfs/dbraw/zinc/39/02/60/294390260.db2.gz MINUGCVONYZXRN-NSHDSACASA-N 0 0 305.290 1.740 50 5 DDBARN CCCn1[nH]ccc1=NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000885989816 708676856 /nfs/dbraw/zinc/67/68/56/708676856.db2.gz SJQPQTUZWATZSQ-UHFFFAOYSA-N 0 0 306.326 1.075 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@H]1CC(=O)N(C2CC2)C1 ZINC000584907863 771884689 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O=C(NCc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004703168 181139600 /nfs/dbraw/zinc/13/96/00/181139600.db2.gz GFKOGDJCLVABAW-UHFFFAOYSA-N 0 0 300.274 1.245 50 5 DDBARN O=C(Nc1cc(C(F)(F)F)ccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000180560208 199175996 /nfs/dbraw/zinc/17/59/96/199175996.db2.gz RMZWXUDMQOJQHO-UHFFFAOYSA-N 0 0 301.184 1.984 50 5 DDBARN CCn1nc(C)c2nnn(Cc3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000096182575 193562245 /nfs/dbraw/zinc/56/22/45/193562245.db2.gz ILUVWFABHBMSRZ-UHFFFAOYSA-N 0 0 314.305 1.273 50 5 DDBARN Cc1nn(C)c(NCC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC000096447888 193651220 /nfs/dbraw/zinc/65/12/20/193651220.db2.gz ITDHHFPTAUMPKG-UHFFFAOYSA-N 0 0 310.354 1.982 50 5 DDBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000012907256 181810166 /nfs/dbraw/zinc/81/01/66/181810166.db2.gz XEOPVXKVBRQTEH-UWVGGRQHSA-N 0 0 314.363 1.701 50 5 DDBARN C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000019868879 182157973 /nfs/dbraw/zinc/15/79/73/182157973.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccco1 ZINC000010327970 406821258 /nfs/dbraw/zinc/82/12/58/406821258.db2.gz VHSOSURPZZCDPP-UHFFFAOYSA-N 0 0 303.274 1.751 50 5 DDBARN NC(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000012735845 406850651 /nfs/dbraw/zinc/85/06/51/406850651.db2.gz NOYGQHHUYRKERA-SNVBAGLBSA-N 0 0 319.317 1.550 50 5 DDBARN O=c1ccc([N+](=O)[O-])cn1CCn1cc(Br)cn1 ZINC000072275478 406877684 /nfs/dbraw/zinc/87/76/84/406877684.db2.gz IFCFRTODKIOFCF-UHFFFAOYSA-N 0 0 313.111 1.416 50 5 DDBARN O=[N+]([O-])c1ccc(CCCCNc2ccc3nnnn3n2)cc1 ZINC000072292427 406879121 /nfs/dbraw/zinc/87/91/21/406879121.db2.gz BABYEMHPTYGLJL-UHFFFAOYSA-N 0 0 313.321 1.862 50 5 DDBARN CC1(C)Cc2cccc(OCCNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2O1 ZINC000044502479 407025145 /nfs/dbraw/zinc/02/51/45/407025145.db2.gz HUQNOPKQHOBVBT-NWDGAFQWSA-N 0 0 320.345 1.560 50 5 DDBARN Cc1cnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000089580194 407140602 /nfs/dbraw/zinc/14/06/02/407140602.db2.gz 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Cc1ncc([N+](=O)[O-])n1CC(=O)NCCOc1ccccc1 ZINC000007344403 406755116 /nfs/dbraw/zinc/75/51/16/406755116.db2.gz PPKZPMSDIJMKGT-UHFFFAOYSA-N 0 0 304.306 1.295 50 5 DDBARN COC(=O)c1cc(F)ccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000069773432 406769226 /nfs/dbraw/zinc/76/92/26/406769226.db2.gz BMJOKSPEYMYKIA-UHFFFAOYSA-N 0 0 306.249 1.731 50 5 DDBARN CCOC(=O)CNC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000003086149 406709991 /nfs/dbraw/zinc/70/99/91/406709991.db2.gz MNKCCIOCZVXNBV-UHFFFAOYSA-N 0 0 312.278 1.263 50 5 DDBARN Cc1csc2nc(Cn3nc(C)c([N+](=O)[O-])c3C)cc(=O)n12 ZINC000008427955 406787429 /nfs/dbraw/zinc/78/74/29/406787429.db2.gz ZYVREPVBVWRRNY-UHFFFAOYSA-N 0 0 319.346 1.834 50 5 DDBARN CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000015091348 406880198 /nfs/dbraw/zinc/88/01/98/406880198.db2.gz RSMIZZAXBJIKOM-UHFFFAOYSA-N 0 0 305.334 1.644 50 5 DDBARN CCC1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000018191524 406885029 /nfs/dbraw/zinc/88/50/29/406885029.db2.gz 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Cn1cc(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cn1 ZINC000225821712 279340026 /nfs/dbraw/zinc/34/00/26/279340026.db2.gz TUNFZEWRWLKTEO-UHFFFAOYSA-N 0 0 302.338 1.237 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000239309407 297928455 /nfs/dbraw/zinc/92/84/55/297928455.db2.gz HOTHFYFSLVLRHY-YXMPFFBPSA-N 0 0 300.270 1.428 50 5 DDBARN Cc1c(NC(=O)N[C@H]2C(=O)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000585119470 771953683 /nfs/dbraw/zinc/95/36/83/771953683.db2.gz IOKACZTUQCMLLJ-NSHDSACASA-N 0 0 307.306 1.976 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2ccncc2)C1 ZINC000328593373 231234081 /nfs/dbraw/zinc/23/40/81/231234081.db2.gz IBUSZHXNCARHFT-ZDUSSCGKSA-N 0 0 315.333 1.593 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1csc(=O)[nH]1 ZINC000097140852 185414474 /nfs/dbraw/zinc/41/44/74/185414474.db2.gz PAMSEXHXGMCEBU-UHFFFAOYSA-N 0 0 311.294 1.343 50 5 DDBARN CCOC(=O)c1cnn(-c2c([N+](=O)[O-])ncn2C)c1C(F)F ZINC000072284372 191103615 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COCCCNc1c([N+](=O)[O-])nn(-c2cccc(C)c2)[n+]1[O-] ZINC000004922683 181173854 /nfs/dbraw/zinc/17/38/54/181173854.db2.gz SMGNJZMSPLCCAV-UHFFFAOYSA-N 0 0 307.310 1.171 50 5 DDBARN CC(C)CNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 ZINC000005183613 181214653 /nfs/dbraw/zinc/21/46/53/181214653.db2.gz IHBHYSXWDLWDQT-VIFPVBQESA-N 0 0 310.358 1.626 50 5 DDBARN CN1C(=O)[C@H]([C@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] ZINC000005208581 181217285 /nfs/dbraw/zinc/21/72/85/181217285.db2.gz CUHQSXKQBFQMNR-PNEDHVDMSA-N 0 0 306.299 1.548 50 5 DDBARN CN(C)c1noc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000193888010 201138694 /nfs/dbraw/zinc/13/86/94/201138694.db2.gz OMVZMFOOBOMZBF-UHFFFAOYSA-N 0 0 309.257 1.113 50 5 DDBARN C[C@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000006900904 181403083 /nfs/dbraw/zinc/40/30/83/181403083.db2.gz KTVGANCJGKCBJU-JTQLQIEISA-N 0 0 321.333 1.735 50 5 DDBARN CC(C)CCNC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015511919 182005637 /nfs/dbraw/zinc/00/56/37/182005637.db2.gz 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Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000025166173 406894398 /nfs/dbraw/zinc/89/43/98/406894398.db2.gz MDTOXYRWDNONQN-UHFFFAOYSA-N 0 0 317.345 1.598 50 5 DDBARN O=C(CSc1nc2ccccc2o1)Nc1nonc1[N+](=O)[O-] ZINC000012360437 406842161 /nfs/dbraw/zinc/84/21/61/406842161.db2.gz AHWRFPXYIBHVBW-UHFFFAOYSA-N 0 0 321.274 1.850 50 5 DDBARN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CC1 ZINC000032724208 406951570 /nfs/dbraw/zinc/95/15/70/406951570.db2.gz BZASCVIFQVTWRO-ZETCQYMHSA-N 0 0 322.273 1.147 50 5 DDBARN O=c1ccn(Cc2noc(-c3ccsc3)n2)cc1[N+](=O)[O-] ZINC000076092597 406954970 /nfs/dbraw/zinc/95/49/70/406954970.db2.gz WODCFKUGZMRPFS-UHFFFAOYSA-N 0 0 304.287 1.916 50 5 DDBARN Cc1nn(C)cc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033311024 406961010 /nfs/dbraw/zinc/96/10/10/406961010.db2.gz BLZQCWATNSDCNL-YVMONPNESA-N 0 0 300.318 1.966 50 5 DDBARN COC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036764115 406982690 /nfs/dbraw/zinc/98/26/90/406982690.db2.gz 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407278475 /nfs/dbraw/zinc/27/84/75/407278475.db2.gz VVDXMKLQHQRTLH-AWEZNQCLSA-N 0 0 301.302 1.923 50 5 DDBARN Cn1ccnc1N1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000253429041 407447150 /nfs/dbraw/zinc/44/71/50/407447150.db2.gz BWRHQUVXNBXMSH-UHFFFAOYSA-N 0 0 303.326 1.199 50 5 DDBARN Cc1cc(C(=O)NCC(=O)N(C)CC(F)F)ccc1[N+](=O)[O-] ZINC000225572689 407596849 /nfs/dbraw/zinc/59/68/49/407596849.db2.gz KBIMLQYCRLYMMQ-UHFFFAOYSA-N 0 0 315.276 1.357 50 5 DDBARN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC1=O ZINC000131344621 407731733 /nfs/dbraw/zinc/73/17/33/407731733.db2.gz KQLWUUNBPHJQQM-SECBINFHSA-N 0 0 309.347 1.768 50 5 DDBARN Cc1nn(C)c(Sc2nnc(C(F)F)n2C)c1[N+](=O)[O-] ZINC000241795503 407913182 /nfs/dbraw/zinc/91/31/82/407913182.db2.gz RZSDXBZXBMLCKA-UHFFFAOYSA-N 0 0 304.282 1.854 50 5 DDBARN COC(=O)CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000241231187 407910038 /nfs/dbraw/zinc/91/00/38/407910038.db2.gz KSWNAWROMRAKCC-LLVKDONJSA-N 0 0 308.338 1.287 50 5 DDBARN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000252678625 408807679 /nfs/dbraw/zinc/80/76/79/408807679.db2.gz GLBHYCZAOCSYMW-MRVWCRGKSA-N 0 0 323.393 1.339 50 5 DDBARN O=c1[nH]c2ccccc2c(=O)n1CCc1ccc([N+](=O)[O-])cc1 ZINC000067256636 275042496 /nfs/dbraw/zinc/04/24/96/275042496.db2.gz NORFCTSDXRTZRF-UHFFFAOYSA-N 0 0 311.297 1.841 50 5 DDBARN Cc1nnc(CN2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)[nH]1 ZINC000095460569 293265535 /nfs/dbraw/zinc/26/55/35/293265535.db2.gz XRTPHSQCCFMIHY-UHFFFAOYSA-N 0 0 317.353 1.047 50 5 DDBARN Cc1oncc1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000952995287 721534608 /nfs/dbraw/zinc/53/46/08/721534608.db2.gz HJIQTAHZEWMISN-UHFFFAOYSA-N 0 0 311.319 1.678 50 5 DDBARN Cc1ccccc1[C@H](O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000079028471 185147204 /nfs/dbraw/zinc/14/72/04/185147204.db2.gz KKNLDYFFBDZOLW-CQSZACIVSA-N 0 0 318.333 1.340 50 5 DDBARN O=C(Cc1noc([C@@H]2CC2[N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000095394457 185352297 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1.854 50 5 DDBARN Cc1ccnc2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3)nn21 ZINC000007562931 181475615 /nfs/dbraw/zinc/47/56/15/181475615.db2.gz LXCOWJMZHKPNSZ-UHFFFAOYSA-N 0 0 313.273 1.698 50 5 DDBARN O=C(Cn1cnnn1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000096007645 193487525 /nfs/dbraw/zinc/48/75/25/193487525.db2.gz XLBWYSHFCVTCLC-UHFFFAOYSA-N 0 0 316.199 1.239 50 5 DDBARN CCCn1nnnc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000008203810 181535373 /nfs/dbraw/zinc/53/53/73/181535373.db2.gz XULUOTDSHUJAAP-UHFFFAOYSA-N 0 0 305.294 1.657 50 5 DDBARN COc1ccc(C=Cc2[nH]c3ncnn3c(=O)c2[N+](=O)[O-])cc1 ZINC000016102338 182034166 /nfs/dbraw/zinc/03/41/66/182034166.db2.gz UIMWDPBFKCCWGZ-QPJJXVBHSA-N 0 0 313.273 1.917 50 5 DDBARN NS(=O)(=O)c1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000024658370 182385941 /nfs/dbraw/zinc/38/59/41/182385941.db2.gz WQWKSDWYMXYUKV-UHFFFAOYSA-N 0 0 308.319 1.249 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024892195 182393914 /nfs/dbraw/zinc/39/39/14/182393914.db2.gz NUKLPJLMSHVIBV-UHFFFAOYSA-N 0 0 312.289 1.820 50 5 DDBARN CCCC(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000040511929 183087461 /nfs/dbraw/zinc/08/74/61/183087461.db2.gz FALFCLZROBAQFF-UHFFFAOYSA-N 0 0 308.338 1.039 50 5 DDBARN Cc1cc(C(=O)NCCCNc2ncccn2)ccc1[N+](=O)[O-] ZINC000042757211 183305160 /nfs/dbraw/zinc/30/51/60/183305160.db2.gz NCVPYIOQBKEUTQ-UHFFFAOYSA-N 0 0 315.333 1.925 50 5 DDBARN COC1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000069705476 284776990 /nfs/dbraw/zinc/77/69/90/284776990.db2.gz WFEPZDCLKXRVAH-UHFFFAOYSA-N 0 0 322.289 1.426 50 5 DDBARN C[C@@H]1C[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000058308920 184103914 /nfs/dbraw/zinc/10/39/14/184103914.db2.gz APSRSNWYZIMRSK-KOLCDFICSA-N 0 0 302.290 1.988 50 5 DDBARN CCOC(=O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058440605 184118745 /nfs/dbraw/zinc/11/87/45/184118745.db2.gz YVZGWVXNPWBQKX-UHFFFAOYSA-N 0 0 321.333 1.561 50 5 DDBARN CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069369115 184510246 /nfs/dbraw/zinc/51/02/46/184510246.db2.gz NLJJXMDOHJWZKK-CYBMUJFWSA-N 0 0 305.334 1.644 50 5 DDBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000004686729 257267638 /nfs/dbraw/zinc/26/76/38/257267638.db2.gz KWCBWGAYQGQNFC-VIFPVBQESA-N 0 0 317.305 1.949 50 5 DDBARN Cc1nn(Cc2nc3c4ccccc4ncn3n2)cc1[N+](=O)[O-] ZINC000002806513 406701981 /nfs/dbraw/zinc/70/19/81/406701981.db2.gz SYTOXFFKSRKYEH-UHFFFAOYSA-N 0 0 309.289 1.739 50 5 DDBARN COC(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000000336293 406640325 /nfs/dbraw/zinc/64/03/25/406640325.db2.gz IQGZXGNLXOQAFX-UHFFFAOYSA-N 0 0 304.262 1.217 50 5 DDBARN COc1ccc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1OC ZINC000000363093 406642546 /nfs/dbraw/zinc/64/25/46/406642546.db2.gz ZZYNSHJSTGBVPE-LBPRGKRZSA-N 0 0 307.306 1.908 50 5 DDBARN COCCCn1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000007348224 406755966 /nfs/dbraw/zinc/75/59/66/406755966.db2.gz POBMGTIUZVJYGM-UHFFFAOYSA-N 0 0 324.362 1.808 50 5 DDBARN O=C([C@H]1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000071904081 406865735 /nfs/dbraw/zinc/86/57/35/406865735.db2.gz YPJDNKHFXVAVLZ-CQSZACIVSA-N 0 0 305.334 1.422 50 5 DDBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC(=O)NC1 ZINC000072062970 406873575 /nfs/dbraw/zinc/87/35/75/406873575.db2.gz BJGDYHAWSOUAPP-ZJUUUORDSA-N 0 0 323.374 1.470 50 5 DDBARN Cc1cc(=O)[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000016283890 406882235 /nfs/dbraw/zinc/88/22/35/406882235.db2.gz VHZNIIUNFHHVLC-UHFFFAOYSA-N 0 0 305.315 1.962 50 5 DDBARN C[C@@H]1COCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025139734 406894633 /nfs/dbraw/zinc/89/46/33/406894633.db2.gz UTDXNOKLVGIACP-SNVBAGLBSA-N 0 0 317.305 1.036 50 5 DDBARN Nc1nc(N[C@H]2CCO[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000075092195 406921490 /nfs/dbraw/zinc/92/14/90/406921490.db2.gz MYMSLGNMVPPVGU-JQWIXIFHSA-N 0 0 301.306 1.909 50 5 DDBARN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(N)=O)C1 ZINC000032664825 406951123 /nfs/dbraw/zinc/95/11/23/406951123.db2.gz QILMBZWXKRSDRJ-WDEREUQCSA-N 0 0 320.349 1.119 50 5 DDBARN Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(C)n1 ZINC000032825061 406954151 /nfs/dbraw/zinc/95/41/51/406954151.db2.gz QLDMSAYZURRDJM-UHFFFAOYSA-N 0 0 314.349 1.723 50 5 DDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000044467869 407024681 /nfs/dbraw/zinc/02/46/81/407024681.db2.gz KQRFWZPZEDRKNB-RISCZKNCSA-N 0 0 314.345 1.934 50 5 DDBARN Nc1nc(N2CC[C@H](OCc3ccccn3)C2)ncc1[N+](=O)[O-] ZINC000089883769 407155315 /nfs/dbraw/zinc/15/53/15/407155315.db2.gz SPJWOLOAKLRYBV-NSHDSACASA-N 0 0 316.321 1.158 50 5 DDBARN COc1ccc(C2=CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000053772714 407173568 /nfs/dbraw/zinc/17/35/68/407173568.db2.gz GFSKTBRKEWFLHZ-CABCVRRESA-N 0 0 302.330 1.976 50 5 DDBARN C[S@@](=O)c1nncn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000096007240 407223745 /nfs/dbraw/zinc/22/37/45/407223745.db2.gz PSYTUZRYEBZEJM-IBGZPJMESA-N 0 0 300.727 1.625 50 5 DDBARN Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1nnc(C2CC2)o1 ZINC000063880524 407236728 /nfs/dbraw/zinc/23/67/28/407236728.db2.gz FWIWOOLZAQSJCJ-UHFFFAOYSA-N 0 0 304.262 1.794 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000245226266 222214077 /nfs/dbraw/zinc/21/40/77/222214077.db2.gz NBDDIGZRLILDLR-ZMLRMANQSA-N 0 0 310.354 1.420 50 5 DDBARN Nc1nccc(C(=O)N2CCOC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000408517136 418806791 /nfs/dbraw/zinc/80/67/91/418806791.db2.gz VGGZWTXLQKLGRX-UHFFFAOYSA-N 0 0 320.349 1.747 50 5 DDBARN Cc1c([N+](=O)[O-])cn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[N+](=O)[O-] ZINC000261492368 274666558 /nfs/dbraw/zinc/66/65/58/274666558.db2.gz WCLNRXJNTVOJIW-UHFFFAOYSA-N 0 0 320.217 1.871 50 5 DDBARN COc1ccccc1/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C ZINC000004754550 278045577 /nfs/dbraw/zinc/04/55/77/278045577.db2.gz NYRNETZMAANLGE-CMDGGOBGSA-N 0 0 317.301 1.171 50 5 DDBARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000000201266 278086604 /nfs/dbraw/zinc/08/66/04/278086604.db2.gz USGPCMVTZSCZLY-NSHDSACASA-N 0 0 308.319 1.596 50 5 DDBARN O=c1[nH]ncc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC000089807681 280388846 /nfs/dbraw/zinc/38/88/46/280388846.db2.gz WVUDHMUYTGVWKJ-UHFFFAOYSA-N 0 0 306.709 1.894 50 5 DDBARN Cc1nnc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000095460566 293265457 /nfs/dbraw/zinc/26/54/57/293265457.db2.gz MGGBNZLYSSFCPG-UHFFFAOYSA-N 0 0 302.338 1.344 50 5 DDBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCN1CCCC1=O ZINC000097987655 295406495 /nfs/dbraw/zinc/40/64/95/295406495.db2.gz JDPAZOQLLJRLKR-FPLPWBNLSA-N 0 0 317.345 1.737 50 5 DDBARN Cc1nc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000042114375 331690172 /nfs/dbraw/zinc/69/01/72/331690172.db2.gz DYAYGPWWZFPZQE-UHFFFAOYSA-N 0 0 313.360 1.838 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000071858774 353193520 /nfs/dbraw/zinc/19/35/20/353193520.db2.gz WUPFNLFYQPJPNF-UHFFFAOYSA-N 0 0 317.284 1.865 50 5 DDBARN Cn1cc(N2CCC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)cn1 ZINC000076063574 353396481 /nfs/dbraw/zinc/39/64/81/353396481.db2.gz UUBKVBQSJRNRNJ-LLVKDONJSA-N 0 0 302.338 1.804 50 5 DDBARN O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NC1CCCC1 ZINC000003450025 181021585 /nfs/dbraw/zinc/02/15/85/181021585.db2.gz SISPYVNYLVBWPA-UHFFFAOYSA-N 0 0 322.317 1.576 50 5 DDBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccnc1 ZINC000004046592 181066413 /nfs/dbraw/zinc/06/64/13/181066413.db2.gz MDGHLSROBTZKJH-UHFFFAOYSA-N 0 0 304.287 1.551 50 5 DDBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000004505137 181117148 /nfs/dbraw/zinc/11/71/48/181117148.db2.gz KNHNLAVXKADGHI-CYBMUJFWSA-N 0 0 312.347 1.244 50 5 DDBARN COc1ccc(CC(=O)OCCn2c(C)ncc2[N+](=O)[O-])nc1 ZINC000239367101 202453203 /nfs/dbraw/zinc/45/32/03/202453203.db2.gz AHJWPAIHBOROQW-UHFFFAOYSA-N 0 0 320.305 1.289 50 5 DDBARN NN=c1nc(Nc2ccc([N+](=O)[O-])cc2)[nH]c(N2CCCC2)n1 ZINC000006276596 181325612 /nfs/dbraw/zinc/32/56/12/181325612.db2.gz SIWMAUAXHZIVEY-UHFFFAOYSA-N 0 0 316.325 1.409 50 5 DDBARN CCn1ncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000006490067 181345137 /nfs/dbraw/zinc/34/51/37/181345137.db2.gz ACGCUVNRMCIFIR-UHFFFAOYSA-N 0 0 324.362 1.598 50 5 DDBARN COC(=O)[C@H](C)CN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032928177 182682010 /nfs/dbraw/zinc/68/20/10/182682010.db2.gz WTUFEUZVZUMVMR-SECBINFHSA-N 0 0 310.306 1.485 50 5 DDBARN O=C1N[C@@]2(CCSC2)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000054426992 284916958 /nfs/dbraw/zinc/91/69/58/284916958.db2.gz WDKGFOXSXFVODE-LLVKDONJSA-N 0 0 313.360 1.584 50 5 DDBARN O=C(NC[C@H]1COCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065657044 184376282 /nfs/dbraw/zinc/37/62/82/184376282.db2.gz HZIJOEXJLYOOSU-JTQLQIEISA-N 0 0 305.290 1.221 50 5 DDBARN CN(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000010452557 257230382 /nfs/dbraw/zinc/23/03/82/257230382.db2.gz WFMRNXONIXRTGK-UHFFFAOYSA-N 0 0 319.292 1.554 50 5 DDBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc2n(c1=O)CCS2 ZINC000000211303 406630516 /nfs/dbraw/zinc/63/05/16/406630516.db2.gz VMCUJBIBIDWMGP-UHFFFAOYSA-N 0 0 318.314 1.510 50 5 DDBARN CCCn1nnc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 ZINC000000470574 406650186 /nfs/dbraw/zinc/65/01/86/406650186.db2.gz HQRLEEFDJVULBB-UHFFFAOYSA-N 0 0 320.309 1.642 50 5 DDBARN CN1C(=O)[C@@H]([C@@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] ZINC000001399919 406668574 /nfs/dbraw/zinc/66/85/74/406668574.db2.gz CUHQSXKQBFQMNR-GOLMWGNGSA-N 0 0 306.299 1.548 50 5 DDBARN CC(=O)c1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000069565751 406734130 /nfs/dbraw/zinc/73/41/30/406734130.db2.gz HRASNZIWZHRXCC-UHFFFAOYSA-N 0 0 307.350 1.302 50 5 DDBARN CC(=O)Nc1nnc(CCCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000010336195 406821477 /nfs/dbraw/zinc/82/14/77/406821477.db2.gz AXCOVQBIEIQUGI-UHFFFAOYSA-N 0 0 310.339 1.542 50 5 DDBARN Cc1cc2ncn(C[C@@H](O)Cn3cnc([N+](=O)[O-])c3)c2cc1C ZINC000076481601 406970315 /nfs/dbraw/zinc/97/03/15/406970315.db2.gz YQTSFLDYOOEIEE-LBPRGKRZSA-N 0 0 315.333 1.819 50 5 DDBARN Cc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000031089901 406937142 /nfs/dbraw/zinc/93/71/42/406937142.db2.gz MKRHKFORRUMDKY-UHFFFAOYSA-N 0 0 317.301 1.656 50 5 DDBARN O=C(NCc1nnc2n1CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000032889684 406954996 /nfs/dbraw/zinc/95/49/96/406954996.db2.gz PMYXTNHWOIXRJJ-UHFFFAOYSA-N 0 0 302.294 1.454 50 5 DDBARN CC12CN3CC(C)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2=O ZINC000095344620 407206693 /nfs/dbraw/zinc/20/66/93/407206693.db2.gz AOAQXZDUTGIUII-UHFFFAOYSA-N 0 0 301.346 1.820 50 5 DDBARN CCOC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000095941789 407215049 /nfs/dbraw/zinc/21/50/49/407215049.db2.gz LDEKAYOSUOTBFE-LBPRGKRZSA-N 0 0 302.714 1.974 50 5 DDBARN Cc1nn(C)c(C(=O)N[C@@H](C)CNc2ccccc2)c1[N+](=O)[O-] ZINC000096495424 407273016 /nfs/dbraw/zinc/27/30/16/407273016.db2.gz XMFKPHRODIDDMA-JTQLQIEISA-N 0 0 317.349 1.867 50 5 DDBARN Cc1cc(C(=O)NCC(=O)NCC(F)F)ccc1[N+](=O)[O-] ZINC000097083221 407278882 /nfs/dbraw/zinc/27/88/82/407278882.db2.gz UHFZYFDUKCJOOI-UHFFFAOYSA-N 0 0 301.249 1.014 50 5 DDBARN O=C(Cn1nccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000253416546 407441382 /nfs/dbraw/zinc/44/13/82/407441382.db2.gz RPHAHEUMZYRENT-UHFFFAOYSA-N 0 0 302.246 1.005 50 5 DDBARN Cc1cccc(N2CCC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000225458860 407587776 /nfs/dbraw/zinc/58/77/76/407587776.db2.gz LORNIJOEFZPVAD-NSHDSACASA-N 0 0 313.379 1.421 50 5 DDBARN COCCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000046200256 418447074 /nfs/dbraw/zinc/44/70/74/418447074.db2.gz XJHCDMMCQWSQFI-UHFFFAOYSA-N 0 0 317.301 1.655 50 5 DDBARN CCOC(=O)c1nc2c(=O)oc3ccccc3c2n(C)c1=O ZINC000009607368 276303716 /nfs/dbraw/zinc/30/37/16/276303716.db2.gz NUEQZRYWCMQGNQ-UHFFFAOYSA-N 0 0 300.270 1.217 50 5 DDBARN CC(=O)Nc1cc2nc3[nH]c(=S)[nH]c(=O)c3nc2cc1C ZINC000005818220 277064227 /nfs/dbraw/zinc/06/42/27/277064227.db2.gz XJRIEOODZYZXHG-UHFFFAOYSA-N 0 0 301.331 1.422 50 5 DDBARN CCOC(=O)[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000005939480 279591279 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CCn1ncc([N+](=O)[O-])c1C(=O)NCCCn1ccc(C)n1 ZINC000072334178 191126177 /nfs/dbraw/zinc/12/61/77/191126177.db2.gz KGJOPCKYYYCLHM-UHFFFAOYSA-N 0 0 306.326 1.136 50 5 DDBARN O=c1ccc2ccc(OCCn3cnc([N+](=O)[O-])n3)cc2o1 ZINC000000033801 180672632 /nfs/dbraw/zinc/67/26/32/180672632.db2.gz ZZELTMUPPBGIKZ-UHFFFAOYSA-N 0 0 302.246 1.372 50 5 DDBARN COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc([N+](=O)[O-])c1[O-] ZINC000043164449 352362901 /nfs/dbraw/zinc/36/29/01/352362901.db2.gz FKQRJXJILFLYQQ-DGCLKSJQSA-N 0 0 321.377 1.978 50 5 DDBARN COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000000442644 180792488 /nfs/dbraw/zinc/79/24/88/180792488.db2.gz JXHSJUAPWJKPLE-UHFFFAOYSA-N 0 0 315.285 1.955 50 5 DDBARN O=C(NC(=S)NCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000001050992 180842933 /nfs/dbraw/zinc/84/29/33/180842933.db2.gz HAABSGLAEJSTLD-UHFFFAOYSA-N 0 0 305.315 1.992 50 5 DDBARN O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000002022820 180905975 /nfs/dbraw/zinc/90/59/75/180905975.db2.gz 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CCN1CC2=C(C1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2C ZINC000057531493 279256303 /nfs/dbraw/zinc/25/63/03/279256303.db2.gz SPHIOXOEONABGO-CYBMUJFWSA-N 0 0 316.317 1.407 50 5 DDBARN Cc1csc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)n1 ZINC000089591476 281731451 /nfs/dbraw/zinc/73/14/51/281731451.db2.gz GOSULMLUXLVTPG-UHFFFAOYSA-N 0 0 308.319 1.469 50 5 DDBARN NC(=O)NC[C@@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000090138564 303278907 /nfs/dbraw/zinc/27/89/07/303278907.db2.gz JQKSIBKZFHJFLF-VIFPVBQESA-N 0 0 313.745 1.670 50 5 DDBARN C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000097044226 696605114 /nfs/dbraw/zinc/60/51/14/696605114.db2.gz CBWGLRNXYAGECH-CFHLNLSMSA-N 0 0 319.361 1.445 50 5 DDBARN Nc1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000095481780 185373721 /nfs/dbraw/zinc/37/37/21/185373721.db2.gz FKJIXLNCFLZCLN-UHFFFAOYSA-N 0 0 318.314 1.738 50 5 DDBARN CNC(=O)c1ccc(N[C@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 ZINC000079054713 185150294 /nfs/dbraw/zinc/15/02/94/185150294.db2.gz 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CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000032809702 406953668 /nfs/dbraw/zinc/95/36/68/406953668.db2.gz QKBLLXCLWBTROW-VIFPVBQESA-N 0 0 317.367 1.074 50 5 DDBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nccn1C(F)F ZINC000032853943 406954700 /nfs/dbraw/zinc/95/47/00/406954700.db2.gz OJGQGRYKWMNJCM-UHFFFAOYSA-N 0 0 322.227 1.983 50 5 DDBARN Cn1ccnc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000076091370 406955095 /nfs/dbraw/zinc/95/50/95/406955095.db2.gz ANHLRJWGPNEDLE-NSHDSACASA-N 0 0 302.338 1.410 50 5 DDBARN COCCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000048667365 407104569 /nfs/dbraw/zinc/10/45/69/407104569.db2.gz KYHWMMZLVVIRAO-UHFFFAOYSA-N 0 0 322.770 1.953 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000046033685 407052635 /nfs/dbraw/zinc/05/26/35/407052635.db2.gz DCRYJYNARQRYIX-QWRGUYRKSA-N 0 0 314.363 1.701 50 5 DDBARN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC[C@@H]1CCCO1 ZINC000089807675 407151133 /nfs/dbraw/zinc/15/11/33/407151133.db2.gz 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ZINC000009088125 406803840 /nfs/dbraw/zinc/80/38/40/406803840.db2.gz KUPCGHZZJYLIKM-JTQLQIEISA-N 0 0 316.277 1.017 50 5 DDBARN COC(=O)c1ccc(Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)o1 ZINC000008835961 406797959 /nfs/dbraw/zinc/79/79/59/406797959.db2.gz WLKCQIOANLAAOA-UHFFFAOYSA-N 0 0 310.222 1.436 50 5 DDBARN Nc1nc(N2CCN(c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000071286105 406837640 /nfs/dbraw/zinc/83/76/40/406837640.db2.gz CIWZZXGMMRVZHC-UHFFFAOYSA-N 0 0 318.312 1.433 50 5 DDBARN COc1ccc(C(=O)Nc2ncc(C(N)=O)s2)cc1[N+](=O)[O-] ZINC000012795574 406852329 /nfs/dbraw/zinc/85/23/29/406852329.db2.gz NXKMRRRNQZINGU-UHFFFAOYSA-N 0 0 322.302 1.411 50 5 DDBARN CN1CCN(C(=O)[C@@H]2CCCN2c2ccccc2[N+](=O)[O-])CC1 ZINC000071904124 406865204 /nfs/dbraw/zinc/86/52/04/406865204.db2.gz VEPCVCNMNAPYAV-HNNXBMFYSA-N 0 0 318.377 1.338 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000071921215 406868124 /nfs/dbraw/zinc/86/81/24/406868124.db2.gz RQPLMWOBCCYNQP-NSHDSACASA-N 0 0 322.214 1.873 50 5 DDBARN Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000019932746 406886119 /nfs/dbraw/zinc/88/61/19/406886119.db2.gz YWTMOPNEASXLNW-UHFFFAOYSA-N 0 0 314.349 1.723 50 5 DDBARN Cc1cc(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])no1 ZINC000025139666 406894040 /nfs/dbraw/zinc/89/40/40/406894040.db2.gz NKMKMCQZUGZBFQ-UHFFFAOYSA-N 0 0 305.290 1.929 50 5 DDBARN CN(C)C(=O)[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000028623871 406918183 /nfs/dbraw/zinc/91/81/83/406918183.db2.gz ONLSGBGHVIKUJR-MRVPVSSYSA-N 0 0 309.351 1.361 50 5 DDBARN O=C(Cn1cccn1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000096416495 407262381 /nfs/dbraw/zinc/26/23/81/407262381.db2.gz ZZYYNVLNZGYKPE-UHFFFAOYSA-N 0 0 302.334 1.930 50 5 DDBARN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC000097047990 407277110 /nfs/dbraw/zinc/27/71/10/407277110.db2.gz JNIWXRQRMJNCRT-ZWNOBZJWSA-N 0 0 316.317 1.992 50 5 DDBARN Cc1cc(C(=O)NCC(=O)N[C@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000097083234 407278917 /nfs/dbraw/zinc/27/89/17/407278917.db2.gz QTATXLPLBGFOLT-ZDUSSCGKSA-N 0 0 317.345 1.858 50 5 DDBARN Cc1nc(NCCc2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000097108403 407280166 /nfs/dbraw/zinc/28/01/66/407280166.db2.gz KKYNDSWVLVULNR-UHFFFAOYSA-N 0 0 302.338 1.881 50 5 DDBARN NS(=O)(=O)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000097163548 407284216 /nfs/dbraw/zinc/28/42/16/407284216.db2.gz WNJGVTZMKBVNIE-UHFFFAOYSA-N 0 0 314.150 1.602 50 5 DDBARN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000151721103 407485678 /nfs/dbraw/zinc/48/56/78/407485678.db2.gz VRISXUPQKPCHHJ-JTQLQIEISA-N 0 0 311.342 1.000 50 5 DDBARN CO[C@@H]1CCCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000225453680 407586856 /nfs/dbraw/zinc/58/68/56/407586856.db2.gz IHXYJSXAVNRVQA-NWDGAFQWSA-N 0 0 310.354 1.564 50 5 DDBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(=O)[nH]c1 ZINC000047547332 418458708 /nfs/dbraw/zinc/45/87/08/418458708.db2.gz JJEIEDSOAKQXCQ-UHFFFAOYSA-N 0 0 301.302 1.945 50 5 DDBARN O=[N+]([O-])c1ncn(-c2ccc3nnc(-c4ccccc4)n3n2)n1 ZINC000084569263 483997557 /nfs/dbraw/zinc/99/75/57/483997557.db2.gz TZFDEONHBJIBRJ-UHFFFAOYSA-N 0 0 308.261 1.280 50 5 DDBARN CCC1(CC)[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1OC ZINC000095423443 185361323 /nfs/dbraw/zinc/36/13/23/185361323.db2.gz LUENDJLRFYSKFP-GHMZBOCLSA-N 0 0 324.381 1.960 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)n1cc(Br)cn1 ZINC000001068556 180845072 /nfs/dbraw/zinc/84/50/72/180845072.db2.gz ORUZJKAQTRCLMD-UHFFFAOYSA-N 0 0 300.072 1.091 50 5 DDBARN CCCN(C(=[NH2+])N1CCCCC1)c1nc(C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000075264894 353357196 /nfs/dbraw/zinc/35/71/96/353357196.db2.gz KQNJFMYMWHEJLG-UHFFFAOYSA-N 0 0 322.369 1.624 50 5 DDBARN CNc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 ZINC000004306267 181094897 /nfs/dbraw/zinc/09/48/97/181094897.db2.gz ZPXDPWPAKOGDQY-UHFFFAOYSA-N 0 0 320.309 1.770 50 5 DDBARN O=[N+]([O-])c1cccc(-n2nnnc2CN2CCCCCC2)c1 ZINC000004907297 181171152 /nfs/dbraw/zinc/17/11/52/181171152.db2.gz KWYSUAPTRQHRPF-UHFFFAOYSA-N 0 0 302.338 1.947 50 5 DDBARN COc1ccccc1CNC(=O)COc1cccnc1[N+](=O)[O-] ZINC000005688924 181273209 /nfs/dbraw/zinc/27/32/09/181273209.db2.gz QMOGKSWJJVEAAD-UHFFFAOYSA-N 0 0 317.301 1.694 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1CO ZINC000081499802 192274841 /nfs/dbraw/zinc/27/48/41/192274841.db2.gz MGMAXMSYEINRDH-KGLIPLIRSA-N 0 0 321.377 1.988 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1CO ZINC000081499801 192275210 /nfs/dbraw/zinc/27/52/10/192275210.db2.gz MGMAXMSYEINRDH-ZIAGYGMSSA-N 0 0 321.377 1.988 50 5 DDBARN Cc1cc(=O)n(Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000089568497 192818055 /nfs/dbraw/zinc/81/80/55/192818055.db2.gz SDJNIHMDTVNNPX-UHFFFAOYSA-N 0 0 312.289 1.089 50 5 DDBARN CCOC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)nn1C ZINC000006392491 181336540 /nfs/dbraw/zinc/33/65/40/181336540.db2.gz BUAXVDKJNKMGPE-UHFFFAOYSA-N 0 0 319.277 1.152 50 5 DDBARN COc1cc(CCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])ccc1C ZINC000096420882 193632385 /nfs/dbraw/zinc/63/23/85/193632385.db2.gz ONRILKGNXJDPNS-UHFFFAOYSA-N 0 0 318.333 1.916 50 5 DDBARN CN(CC(N)=O)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000040139240 183039279 /nfs/dbraw/zinc/03/92/79/183039279.db2.gz NDKNWFWOHRTCMS-UHFFFAOYSA-N 0 0 313.313 1.747 50 5 DDBARN COC[C@@]1(C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000066082880 184387746 /nfs/dbraw/zinc/38/77/46/184387746.db2.gz WOBUWKDLAYXBTP-CQSZACIVSA-N 0 0 307.306 1.360 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000004306020 285082643 /nfs/dbraw/zinc/08/26/43/285082643.db2.gz JITIQZLHWUPYKJ-UWVGGRQHSA-N 0 0 324.385 1.508 50 5 DDBARN COCCOCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000313744965 257242993 /nfs/dbraw/zinc/24/29/93/257242993.db2.gz GSRNGDFKNJHOBC-UHFFFAOYSA-N 0 0 300.286 1.435 50 5 DDBARN O=[N+]([O-])c1ccccc1NC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000024203857 296515493 /nfs/dbraw/zinc/51/54/93/296515493.db2.gz ZDJZTZRRMMYCEW-XJKSGUPXSA-N 0 0 321.377 1.744 50 5 DDBARN NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000116335 406624508 /nfs/dbraw/zinc/62/45/08/406624508.db2.gz SARDUNZEHAUSFV-UHFFFAOYSA-N 0 0 315.285 1.711 50 5 DDBARN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000000209613 406630881 /nfs/dbraw/zinc/63/08/81/406630881.db2.gz XVENDFRFPBJYCR-UWVGGRQHSA-N 0 0 300.336 1.393 50 5 DDBARN Cc1c(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cnn1C ZINC000002730707 406695580 /nfs/dbraw/zinc/69/55/80/406695580.db2.gz RDXDDIOVMKHHIL-UHFFFAOYSA-N 0 0 312.717 1.515 50 5 DDBARN O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004188652 406723197 /nfs/dbraw/zinc/72/31/97/406723197.db2.gz RICCPVFAPHNEBF-UHFFFAOYSA-N 0 0 318.377 1.339 50 5 DDBARN COC(=O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012526654 406847194 /nfs/dbraw/zinc/84/71/94/406847194.db2.gz LPZYGHRVIXAHKO-UHFFFAOYSA-N 0 0 324.336 1.444 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000013778968 406867390 /nfs/dbraw/zinc/86/73/90/406867390.db2.gz JITIQZLHWUPYKJ-AOOOYVTPSA-N 0 0 324.385 1.508 50 5 DDBARN NC(=O)Cc1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000014331103 406874767 /nfs/dbraw/zinc/87/47/67/406874767.db2.gz OYCCQJLXJSYQEF-UHFFFAOYSA-N 0 0 306.303 1.331 50 5 DDBARN O=C(CNC(=O)c1ccco1)OCc1ccccc1[N+](=O)[O-] ZINC000025114417 406894018 /nfs/dbraw/zinc/89/40/18/406894018.db2.gz AGTCCBRXHKMNBL-UHFFFAOYSA-N 0 0 304.258 1.661 50 5 DDBARN O=C1CCCN1CCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000033012196 406959098 /nfs/dbraw/zinc/95/90/98/406959098.db2.gz MEORKWFNEXSKLU-UHFFFAOYSA-N 0 0 305.294 1.555 50 5 DDBARN Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c2cccnc12 ZINC000048223973 407091256 /nfs/dbraw/zinc/09/12/56/407091256.db2.gz MHRGAEBZNYLGPQ-UHFFFAOYSA-N 0 0 312.289 1.682 50 5 DDBARN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000048317796 407094550 /nfs/dbraw/zinc/09/45/50/407094550.db2.gz IBTSKWIMCWDGTB-LBPRGKRZSA-N 0 0 301.306 1.332 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccc(Cl)cc32)c1 ZINC000089807084 407151011 /nfs/dbraw/zinc/15/10/11/407151011.db2.gz KESKALCDUGULSH-ZDUSSCGKSA-N 0 0 322.752 1.868 50 5 DDBARN NC(=O)[C@@H]1COCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095997013 407222537 /nfs/dbraw/zinc/22/25/37/407222537.db2.gz IJRPOUWWQZGJIP-JTQLQIEISA-N 0 0 319.239 1.304 50 5 DDBARN CCO[C@H](C)c1noc(Cn2cc([N+](=O)[O-])c(C)cc2=O)n1 ZINC000096474488 407270458 /nfs/dbraw/zinc/27/04/58/407270458.db2.gz KQNTUGUDPMAMLR-SECBINFHSA-N 0 0 308.294 1.594 50 5 DDBARN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000170597794 407449250 /nfs/dbraw/zinc/44/92/50/407449250.db2.gz OJZOTMPIDKMCEF-NSHDSACASA-N 0 0 313.313 1.911 50 5 DDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000229797408 407671738 /nfs/dbraw/zinc/67/17/38/407671738.db2.gz GYJQTSBVQZWZCD-KFWWJZLASA-N 0 0 304.346 1.624 50 5 DDBARN CCOC(=O)CN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192795295 408650753 /nfs/dbraw/zinc/65/07/53/408650753.db2.gz LSDYBRSSKHSSQS-UHFFFAOYSA-N 0 0 322.365 1.252 50 5 DDBARN Cc1cccc(N2CCC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000225458899 292558983 /nfs/dbraw/zinc/55/89/83/292558983.db2.gz LORNIJOEFZPVAD-LLVKDONJSA-N 0 0 313.379 1.421 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2ccccn2)C1 ZINC000408518592 418806862 /nfs/dbraw/zinc/80/68/62/418806862.db2.gz PNRNFHUSKJPLOC-GFCCVEGCSA-N 0 0 315.333 1.593 50 5 DDBARN CN1C[C@@H](C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CC1=O ZINC000095436666 276976674 /nfs/dbraw/zinc/97/66/74/276976674.db2.gz DPTUEVMCSXBJQQ-JTQLQIEISA-N 0 0 303.318 1.352 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000004359375 279178397 /nfs/dbraw/zinc/17/83/97/279178397.db2.gz YPFUMAKGRZTFRY-BLTAXRJOSA-N 0 0 300.270 1.428 50 5 DDBARN Cn1cnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003395195 331480166 /nfs/dbraw/zinc/48/01/66/331480166.db2.gz CUHDAJLKGIEUJD-UHFFFAOYSA-N 0 0 308.319 1.882 50 5 DDBARN O=[N+]([O-])c1ccc(NC[C@H](O)COCc2ccccc2)cn1 ZINC000095398334 185353624 /nfs/dbraw/zinc/35/36/24/185353624.db2.gz PVXAJARWGAREQU-AWEZNQCLSA-N 0 0 303.318 1.979 50 5 DDBARN COC(=O)c1cc(C(=O)OC)n(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000095452297 185369157 /nfs/dbraw/zinc/36/91/57/185369157.db2.gz PULIPDOZHMSZEA-UHFFFAOYSA-N 0 0 319.273 1.413 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1cccc(O)c1 ZINC000068431909 190768330 /nfs/dbraw/zinc/76/83/30/190768330.db2.gz BEDFJZRCYOKNKL-UHFFFAOYSA-N 0 0 304.306 1.464 50 5 DDBARN CCCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000069770763 190813680 /nfs/dbraw/zinc/81/36/80/190813680.db2.gz FOJVTHYURXITLB-UHFFFAOYSA-N 0 0 313.741 1.894 50 5 DDBARN O=C(NCc1ccco1)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000072281898 191102621 /nfs/dbraw/zinc/10/26/21/191102621.db2.gz NVDCJZWBTFQEAZ-CYBMUJFWSA-N 0 0 316.317 1.868 50 5 DDBARN Cc1cc(S(=O)(=O)N2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000172018481 198026743 /nfs/dbraw/zinc/02/67/43/198026743.db2.gz AMJQSHAJJIRCDX-UHFFFAOYSA-N 0 0 314.363 1.703 50 5 DDBARN C[S@@](=O)CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000076023452 353391605 /nfs/dbraw/zinc/39/16/05/353391605.db2.gz WTGGBJNUPAPJKL-NRFANRHFSA-N 0 0 315.370 1.234 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCNC1=O ZINC000080598398 353616524 /nfs/dbraw/zinc/61/65/24/353616524.db2.gz MZXVCDBXCAQJPK-GFCCVEGCSA-N 0 0 320.349 1.105 50 5 DDBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCO1 ZINC000003442557 181020127 /nfs/dbraw/zinc/02/01/27/181020127.db2.gz RUXPAAUZRGNUKO-JTQLQIEISA-N 0 0 314.725 1.922 50 5 DDBARN CC(C)(C)OC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000003441633 181020145 /nfs/dbraw/zinc/02/01/45/181020145.db2.gz VMUVCQGAGMWOEF-UHFFFAOYSA-N 0 0 305.290 1.646 50 5 DDBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(OC)n2)c1 ZINC000004140247 181078011 /nfs/dbraw/zinc/07/80/11/181078011.db2.gz JRXNZDMTVGJDFQ-UHFFFAOYSA-N 0 0 321.293 1.736 50 5 DDBARN COCCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004619059 181129943 /nfs/dbraw/zinc/12/99/43/181129943.db2.gz BSRVTRBGKNXKQN-UHFFFAOYSA-N 0 0 316.741 1.983 50 5 DDBARN COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1 ZINC000005163639 181212514 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CC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2C)CC1 ZINC000019858612 182157793 /nfs/dbraw/zinc/15/77/93/182157793.db2.gz BXKZJUCKNGLAOH-UHFFFAOYSA-N 0 0 317.349 1.146 50 5 DDBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCOCC1 ZINC000020027319 182180569 /nfs/dbraw/zinc/18/05/69/182180569.db2.gz CDAMHJUPEUBGLH-AATRIKPKSA-N 0 0 319.361 1.447 50 5 DDBARN CC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000020110060 182187600 /nfs/dbraw/zinc/18/76/00/182187600.db2.gz JVGFIZNSVBEDGK-UHFFFAOYSA-N 0 0 303.727 1.671 50 5 DDBARN CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000033210194 182696620 /nfs/dbraw/zinc/69/66/20/182696620.db2.gz CEMXYFAKLAZWGZ-VFNNOXKTSA-N 0 0 317.345 1.735 50 5 DDBARN CCS(=O)(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000057138574 184027784 /nfs/dbraw/zinc/02/77/84/184027784.db2.gz YVXYGCUWLIBWJF-UHFFFAOYSA-N 0 0 319.358 1.817 50 5 DDBARN COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(OC)c1OC ZINC000000036486 406616433 /nfs/dbraw/zinc/61/64/33/406616433.db2.gz 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Cc1cccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000039501440 407001311 /nfs/dbraw/zinc/00/13/11/407001311.db2.gz GPQFGUTXECCWFE-LLVKDONJSA-N 0 0 323.305 1.280 50 5 DDBARN O=[N+]([O-])c1cc(CN2CCC[C@H](CO)C2)c2c(c1)COCO2 ZINC000049622720 407122387 /nfs/dbraw/zinc/12/23/87/407122387.db2.gz PJPSZBAKDPCXQK-NSHDSACASA-N 0 0 308.334 1.666 50 5 DDBARN CC(=O)Nc1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cs1 ZINC000089568495 407139615 /nfs/dbraw/zinc/13/96/15/407139615.db2.gz FQBBUICXVNPUKY-UHFFFAOYSA-N 0 0 308.319 1.528 50 5 DDBARN CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000054284385 407181076 /nfs/dbraw/zinc/18/10/76/407181076.db2.gz BMPVIAZJAHFPOB-UHFFFAOYSA-N 0 0 317.301 1.089 50 5 DDBARN O=[N+]([O-])c1cnc(N2CCN(CCCO)CC2)c(Cl)c1 ZINC000096412869 407261312 /nfs/dbraw/zinc/26/13/12/407261312.db2.gz LUXZYFAIQDJPFG-UHFFFAOYSA-N 0 0 300.746 1.148 50 5 DDBARN CS(=O)(=O)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 ZINC000058407631 407220757 /nfs/dbraw/zinc/22/07/57/407220757.db2.gz 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Cc1cc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)on1 ZINC000032830066 406954643 /nfs/dbraw/zinc/95/46/43/406954643.db2.gz PJZYCHNJQDOTSX-UHFFFAOYSA-N 0 0 306.230 1.977 50 5 DDBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000089780851 407148961 /nfs/dbraw/zinc/14/89/61/407148961.db2.gz LBROUEFCLBYWIW-SNVBAGLBSA-N 0 0 313.335 1.294 50 5 DDBARN COC(=O)c1cccc([N+](=O)[O-])c1CN1CCC[C@H](C(N)=O)C1 ZINC000052518722 407151024 /nfs/dbraw/zinc/15/10/24/407151024.db2.gz BERHYLKIUWZPFC-JTQLQIEISA-N 0 0 321.333 1.079 50 5 DDBARN O=[N+]([O-])c1c(N2CCC[C@@H](c3nnc[nH]3)C2)nc2sccn21 ZINC000096452903 407269179 /nfs/dbraw/zinc/26/91/79/407269179.db2.gz KQMSURGPIHGFPS-MRVPVSSYSA-N 0 0 319.350 1.806 50 5 DDBARN COc1cc(C(=O)NCc2c[nH]nc2C)cc([N+](=O)[O-])c1C ZINC000170611048 407455322 /nfs/dbraw/zinc/45/53/22/407455322.db2.gz SMMSLFSOQGDFCV-UHFFFAOYSA-N 0 0 304.306 1.873 50 5 DDBARN CNC(=O)[C@@H]1CCC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420611399 420331139 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193632809 /nfs/dbraw/zinc/63/28/09/193632809.db2.gz RUDIALBPDVJAKY-UHFFFAOYSA-N 0 0 317.349 1.869 50 5 DDBARN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1(C2CC2)CC1 ZINC000096501145 193672767 /nfs/dbraw/zinc/67/27/67/193672767.db2.gz SGZVAQMYOHCZBP-UHFFFAOYSA-N 0 0 311.363 1.844 50 5 DDBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)N1CCCC1 ZINC000012513013 181769199 /nfs/dbraw/zinc/76/91/99/181769199.db2.gz GOOAJANBLLEIFA-SECBINFHSA-N 0 0 307.306 1.345 50 5 DDBARN Cc1cc(C(=O)N(C)C2(C(N)=O)CCCC2)cc([N+](=O)[O-])c1 ZINC000097233094 193695850 /nfs/dbraw/zinc/69/58/50/193695850.db2.gz AEGQEPBDSDNCCX-UHFFFAOYSA-N 0 0 305.334 1.773 50 5 DDBARN O=c1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000017118432 182075842 /nfs/dbraw/zinc/07/58/42/182075842.db2.gz NGLAKHKSFQHATJ-UHFFFAOYSA-N 0 0 310.247 1.855 50 5 DDBARN CNC(=O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000025268182 182406825 /nfs/dbraw/zinc/40/68/25/182406825.db2.gz OXUKYORAKKYJLF-UHFFFAOYSA-N 0 0 323.352 1.017 50 5 DDBARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000047002494 183577803 /nfs/dbraw/zinc/57/78/03/183577803.db2.gz WVDFOBSNLXXELG-YPMHNXCESA-N 0 0 310.354 1.503 50 5 DDBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCNc1cnccn1 ZINC000056486278 184013179 /nfs/dbraw/zinc/01/31/79/184013179.db2.gz CEQFIGNFVMOLNZ-WAYWQWQTSA-N 0 0 313.317 1.626 50 5 DDBARN CCNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCCC1 ZINC000058201982 184087588 /nfs/dbraw/zinc/08/75/88/184087588.db2.gz HSOBZKPVGZTFNC-UHFFFAOYSA-N 0 0 309.322 1.757 50 5 DDBARN NS(=O)(=O)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000058218107 184089650 /nfs/dbraw/zinc/08/96/50/184089650.db2.gz DDKVPFPPNBMDIN-UHFFFAOYSA-N 0 0 322.346 1.390 50 5 DDBARN CC1(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)COC1 ZINC000058159335 184082259 /nfs/dbraw/zinc/08/22/59/184082259.db2.gz CWOASLLQHZGMEK-UHFFFAOYSA-N 0 0 317.301 1.974 50 5 DDBARN Nc1nonc1-c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000003672568 257267472 /nfs/dbraw/zinc/26/74/72/257267472.db2.gz IHOHRYQOYVGXCT-UHFFFAOYSA-N 0 0 304.222 1.189 50 5 DDBARN COC[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009119071 285342839 /nfs/dbraw/zinc/34/28/39/285342839.db2.gz HNNGQMSFKJTVQH-LBPRGKRZSA-N 0 0 321.377 1.962 50 5 DDBARN COC(=O)C1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000000456211 406650651 /nfs/dbraw/zinc/65/06/51/406650651.db2.gz MHGWVPFEGOWYEH-UHFFFAOYSA-N 0 0 306.318 1.928 50 5 DDBARN CC[C@H](Sc1nnnn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000621684 406658484 /nfs/dbraw/zinc/65/84/84/406658484.db2.gz PMIAANYWSLKYKY-JTQLQIEISA-N 0 0 322.350 1.628 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000069321387 406694272 /nfs/dbraw/zinc/69/42/72/406694272.db2.gz NYGXWXBOOQTMOP-ZDUSSCGKSA-N 0 0 320.345 1.749 50 5 DDBARN O=C(NCc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003110163 406710079 /nfs/dbraw/zinc/71/00/79/406710079.db2.gz IKODXZJIIMIXFO-UHFFFAOYSA-N 0 0 302.246 1.828 50 5 DDBARN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000003108283 406711096 /nfs/dbraw/zinc/71/10/96/406711096.db2.gz HKQLVSVRCAFLQV-UHFFFAOYSA-N 0 0 309.263 1.915 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCOCC1 ZINC000069514711 406726539 /nfs/dbraw/zinc/72/65/39/406726539.db2.gz JVRMHRDSDMJQTM-UHFFFAOYSA-N 0 0 308.338 1.357 50 5 DDBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004687383 406727115 /nfs/dbraw/zinc/72/71/15/406727115.db2.gz NXWZGCXAGFOGNA-UHFFFAOYSA-N 0 0 304.350 1.838 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 ZINC000009389927 406806914 /nfs/dbraw/zinc/80/69/14/406806914.db2.gz LJSSQNUIVDGQQH-UHFFFAOYSA-N 0 0 314.363 1.690 50 5 DDBARN C[C@H]1CC(=O)NCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000071889427 406861997 /nfs/dbraw/zinc/86/19/97/406861997.db2.gz CPKHVHKQMKTAAW-JTQLQIEISA-N 0 0 300.318 1.858 50 5 DDBARN O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCCn1ccnc1 ZINC000013728687 406867045 /nfs/dbraw/zinc/86/70/45/406867045.db2.gz XIVKYLLBHBFPAA-UHFFFAOYSA-N 0 0 318.337 1.195 50 5 DDBARN COc1ccc(-c2ccc(C(=O)NCCO)o2)c([N+](=O)[O-])c1 ZINC000013721645 406867672 /nfs/dbraw/zinc/86/76/72/406867672.db2.gz SZVNGMFWORHQTG-UHFFFAOYSA-N 0 0 306.274 1.586 50 5 DDBARN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000014220966 406873449 /nfs/dbraw/zinc/87/34/49/406873449.db2.gz GYBUPFVMQKOAME-KOLCDFICSA-N 0 0 300.336 1.441 50 5 DDBARN CC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2O ZINC000019325431 406884478 /nfs/dbraw/zinc/88/44/78/406884478.db2.gz AVRFLFIDLGILIQ-UHFFFAOYSA-N 0 0 303.362 1.612 50 5 DDBARN COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1N1CCOCC1 ZINC000019770667 406886693 /nfs/dbraw/zinc/88/66/93/406886693.db2.gz ZXKJHNDADNNJJT-CQSZACIVSA-N 0 0 320.301 1.202 50 5 DDBARN Cc1ccc(F)c(-n2nnnc2Cn2cnc([N+](=O)[O-])c2)c1 ZINC000071796100 406844132 /nfs/dbraw/zinc/84/41/32/406844132.db2.gz ZOPCQQGITGZGTK-UHFFFAOYSA-N 0 0 303.257 1.263 50 5 DDBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000027932535 406914239 /nfs/dbraw/zinc/91/42/39/406914239.db2.gz 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/nfs/dbraw/zinc/27/62/67/407276267.db2.gz XAVCZGCGWAHUDE-UHFFFAOYSA-N 0 0 313.360 1.916 50 5 DDBARN CC(C)(C)[C@@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000097237210 407289446 /nfs/dbraw/zinc/28/94/46/407289446.db2.gz PGGLZIHUECXYIR-GFCCVEGCSA-N 0 0 316.379 1.817 50 5 DDBARN O=[N+]([O-])c1cccnc1N1CCCN(c2ncccn2)CC1 ZINC000069561292 280376455 /nfs/dbraw/zinc/37/64/55/280376455.db2.gz HQLVFPFIQVFVDG-UHFFFAOYSA-N 0 0 300.322 1.497 50 5 DDBARN CCc1ccc(OCc2cc(=O)n(C)c(=O)n2C)c([N+](=O)[O-])c1 ZINC000071908703 490579581 /nfs/dbraw/zinc/57/95/81/490579581.db2.gz BILUMOVNDKKNJH-UHFFFAOYSA-N 0 0 319.317 1.134 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003151044 696006071 /nfs/dbraw/zinc/00/60/71/696006071.db2.gz VRYAOZCPSMQVRM-GFCCVEGCSA-N 0 0 321.358 1.903 50 5 DDBARN CCOC(=O)C[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000089983643 185274316 /nfs/dbraw/zinc/27/43/16/185274316.db2.gz CUWMYRIDFKKMGC-JTQLQIEISA-N 0 0 323.349 1.805 50 5 DDBARN COc1ncccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068187029 190753384 /nfs/dbraw/zinc/75/33/84/190753384.db2.gz AJMFNXSZASMFAD-UHFFFAOYSA-N 0 0 317.301 1.807 50 5 DDBARN CCOCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000072277759 191098999 /nfs/dbraw/zinc/09/89/99/191098999.db2.gz XMKLKMCQDUWLMT-UHFFFAOYSA-N 0 0 322.365 1.781 50 5 DDBARN CC1=NN(C(=O)C(F)(F)F)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000000341817 352109008 /nfs/dbraw/zinc/10/90/08/352109008.db2.gz GHCAEQMMEHGEOV-NSHDSACASA-N 0 0 317.223 1.910 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1c(F)cccc1F ZINC000002795572 180958795 /nfs/dbraw/zinc/95/87/95/180958795.db2.gz QYZQLFLWWIFBLK-UHFFFAOYSA-N 0 0 310.260 1.808 50 5 DDBARN Cc1cc(OC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248353 181087727 /nfs/dbraw/zinc/08/77/27/181087727.db2.gz JCBUZAKLUUXWRI-UHFFFAOYSA-N 0 0 318.241 1.539 50 5 DDBARN CCN(CC)C(=O)COC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000004509136 181117695 /nfs/dbraw/zinc/11/76/95/181117695.db2.gz WXNLJVFFEVXOLP-UHFFFAOYSA-N 0 0 309.322 1.662 50 5 DDBARN C[C@@H]1CCC[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000076021981 191556312 /nfs/dbraw/zinc/55/63/12/191556312.db2.gz AIVOCLSPBKUING-VXGBXAGGSA-N 0 0 307.350 1.794 50 5 DDBARN O=C(COC(=O)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005693493 181273272 /nfs/dbraw/zinc/27/32/72/181273272.db2.gz FAYBXGGYDVHPIG-UHFFFAOYSA-N 0 0 301.258 1.785 50 5 DDBARN Nc1nc(Nc2ccccc2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000005032829 283690683 /nfs/dbraw/zinc/69/06/83/283690683.db2.gz CHFYKUKTQWPKSI-UHFFFAOYSA-N 0 0 316.321 1.547 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C ZINC000006641741 181363841 /nfs/dbraw/zinc/36/38/41/181363841.db2.gz JUXJDAGQBDFDSO-WCBMZHEXSA-N 0 0 308.290 1.741 50 5 DDBARN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N1 ZINC000096417087 193628702 /nfs/dbraw/zinc/62/87/02/193628702.db2.gz XVSVRMDLGGUXPO-CYBMUJFWSA-N 0 0 305.334 1.312 50 5 DDBARN O=[N+]([O-])c1cc(F)c(NC(CO)CO)c(Br)c1 ZINC000096429733 193638075 /nfs/dbraw/zinc/63/80/75/193638075.db2.gz PYUZUUMANWMEDM-UHFFFAOYSA-N 0 0 309.091 1.262 50 5 DDBARN Cc1cc([N+](=O)[O-])cn(CC[S@@](=O)c2ccccc2)c1=O ZINC000096480838 193663890 /nfs/dbraw/zinc/66/38/90/193663890.db2.gz WPITWZKHCLOQMO-NRFANRHFSA-N 0 0 306.343 1.873 50 5 DDBARN C[C@H](Sc1nc(N)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012690294 181788671 /nfs/dbraw/zinc/78/86/71/181788671.db2.gz NKFXJCZPSVITKB-LURJTMIESA-N 0 0 308.323 1.414 50 5 DDBARN Cc1cc(C(=O)N(C)CC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000024401515 182379966 /nfs/dbraw/zinc/37/99/66/182379966.db2.gz RRNAPVBECUWWLO-UHFFFAOYSA-N 0 0 305.334 1.598 50 5 DDBARN CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032764957 182660651 /nfs/dbraw/zinc/66/06/51/182660651.db2.gz UAQKQANYXGBGFF-UHFFFAOYSA-N 0 0 313.313 1.966 50 5 DDBARN NC(=O)[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039547859 183020634 /nfs/dbraw/zinc/02/06/34/183020634.db2.gz GUGTZDHVDVMBID-ZDUSSCGKSA-N 0 0 300.270 1.978 50 5 DDBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(=O)[nH]c1 ZINC000048179840 183625616 /nfs/dbraw/zinc/62/56/16/183625616.db2.gz DGMXMJHPVGZJOT-UHFFFAOYSA-N 0 0 301.302 1.945 50 5 DDBARN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000058380513 184110641 /nfs/dbraw/zinc/11/06/41/184110641.db2.gz JKHHKJKHAHQLKC-HUBLWGQQSA-N 0 0 318.329 1.690 50 5 DDBARN O=Cc1ccc2oc3nc4n(c(=O)c3c(=O)c2c1)CCCS4 ZINC000000529641 406653504 /nfs/dbraw/zinc/65/35/04/406653504.db2.gz WGKAOZLRNKSJLH-UHFFFAOYSA-N 0 0 314.322 1.811 50 5 DDBARN O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1c[nH]c2ccccc12 ZINC000001432148 406668890 /nfs/dbraw/zinc/66/88/90/406668890.db2.gz FDVXGGTZJOPTSA-UHFFFAOYSA-N 0 0 313.317 1.632 50 5 DDBARN CCn1ncc(CN(C)C(=O)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000002780574 406698839 /nfs/dbraw/zinc/69/88/39/406698839.db2.gz AMFIXCWUJCLHTA-UHFFFAOYSA-N 0 0 320.353 1.365 50 5 DDBARN NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069737886 406763665 /nfs/dbraw/zinc/76/36/65/406763665.db2.gz QTILDPAGFIBQRG-MALLOTDXSA-N 0 0 321.308 1.471 50 5 DDBARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000012922519 406855067 /nfs/dbraw/zinc/85/50/67/406855067.db2.gz JERXYFQKDKDNRQ-MRVPVSSYSA-N 0 0 313.741 1.893 50 5 DDBARN Cc1cc(S(=O)(=O)N(C)Cc2nccn2C)ccc1[N+](=O)[O-] ZINC000071909099 406867141 /nfs/dbraw/zinc/86/71/41/406867141.db2.gz VQNVPPUNODFSGE-UHFFFAOYSA-N 0 0 324.362 1.457 50 5 DDBARN CC(=O)c1ccc(NC[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000025567739 406898966 /nfs/dbraw/zinc/89/89/66/406898966.db2.gz OHQIFEYZAAHZTL-NSHDSACASA-N 0 0 307.350 1.930 50 5 DDBARN CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032921863 406956037 /nfs/dbraw/zinc/95/60/37/406956037.db2.gz JVHUYAFISWIQDA-NSHDSACASA-N 0 0 323.349 1.494 50 5 DDBARN CCNC(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC000077955687 407015939 /nfs/dbraw/zinc/01/59/39/407015939.db2.gz OQFFWJRHUUBNRG-UHFFFAOYSA-N 0 0 303.112 1.872 50 5 DDBARN CCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000084742995 407094418 /nfs/dbraw/zinc/09/44/18/407094418.db2.gz DYULYTNPXCNIOC-UKRRQHHQSA-N 0 0 310.350 1.686 50 5 DDBARN CC(C)n1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000089894057 407156262 /nfs/dbraw/zinc/15/62/62/407156262.db2.gz MOOXWSMFYGHJRN-UHFFFAOYSA-N 0 0 307.314 1.390 50 5 DDBARN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2cn[nH]c2)C1 ZINC000097050511 407277237 /nfs/dbraw/zinc/27/72/37/407277237.db2.gz JOVQEDZHKVSXFU-JTQLQIEISA-N 0 0 315.333 1.920 50 5 DDBARN O=C(NC1CC=CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000097081402 407278446 /nfs/dbraw/zinc/27/84/46/407278446.db2.gz VVDXMKLQHQRTLH-CQSZACIVSA-N 0 0 301.302 1.923 50 5 DDBARN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O ZINC000097095540 407279294 /nfs/dbraw/zinc/27/92/94/407279294.db2.gz PHANIIOSRNCOHY-ZDVLTJLQSA-N 0 0 304.755 1.745 50 5 DDBARN CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccncc1 ZINC000097114408 407281186 /nfs/dbraw/zinc/28/11/86/407281186.db2.gz NOIPBBAVUAJDQR-UHFFFAOYSA-N 0 0 315.333 1.675 50 5 DDBARN 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1.167 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1noc2c1CCCC2 ZINC000002808709 406700784 /nfs/dbraw/zinc/70/07/84/406700784.db2.gz HUDOSLRUCIWEKD-UHFFFAOYSA-N 0 0 319.321 1.397 50 5 DDBARN COC(=O)C=S([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004275482 406723511 /nfs/dbraw/zinc/72/35/11/406723511.db2.gz ZDSHKLYGWOAHJZ-FQEVSTJZSA-N 0 0 311.237 1.894 50 5 DDBARN O=C(CSc1nnc2n1CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000013125178 406860009 /nfs/dbraw/zinc/86/00/09/406860009.db2.gz GMBRUJZFOVYZGP-UHFFFAOYSA-N 0 0 319.346 1.977 50 5 DDBARN NC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000072294774 406879483 /nfs/dbraw/zinc/87/94/83/406879483.db2.gz RKBYQCKZOOYLQB-LLVKDONJSA-N 0 0 322.708 1.533 50 5 DDBARN COCCN1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000024484989 406893316 /nfs/dbraw/zinc/89/33/16/406893316.db2.gz NVBWBDMGSXUCFL-NSHDSACASA-N 0 0 321.333 1.337 50 5 DDBARN Cc1cccc(C(=O)NCc2cccc(C(N)=O)c2)c1[N+](=O)[O-] ZINC000025332604 406896501 /nfs/dbraw/zinc/89/65/01/406896501.db2.gz HKQTWZCQLDNBDA-UHFFFAOYSA-N 0 0 313.313 1.932 50 5 DDBARN O=C(c1ccccn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000032005603 406945137 /nfs/dbraw/zinc/94/51/37/406945137.db2.gz ZRWLCWVOLPZZIM-UHFFFAOYSA-N 0 0 313.317 1.347 50 5 DDBARN O=C(C[S@@](=O)Cc1cccc([N+](=O)[O-])c1)NCC(F)(F)F ZINC000032801288 406953291 /nfs/dbraw/zinc/95/32/91/406953291.db2.gz JPAXMXCAJIVCGD-OAQYLSRUSA-N 0 0 324.280 1.522 50 5 DDBARN O=C(C[C@@H]1C=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000033110937 406959701 /nfs/dbraw/zinc/95/97/01/406959701.db2.gz CNCSDPQULNWENS-CYBMUJFWSA-N 0 0 316.361 1.995 50 5 DDBARN Nc1nc(Nc2ccc3c(c2)OCCCO3)ncc1[N+](=O)[O-] ZINC000084490002 407089190 /nfs/dbraw/zinc/08/91/90/407089190.db2.gz YEIZRZPULXTASY-UHFFFAOYSA-N 0 0 303.278 1.872 50 5 DDBARN Cc1cnc(N2CCC(c3cc(N)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000085704002 407104647 /nfs/dbraw/zinc/10/46/47/407104647.db2.gz HIVQGLILHNHWGP-UHFFFAOYSA-N 0 0 302.338 1.988 50 5 DDBARN Cc1cc(=O)n(C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000079587678 407059820 /nfs/dbraw/zinc/05/98/20/407059820.db2.gz YLCUXPRARSMFNF-UHFFFAOYSA-N 0 0 301.302 1.783 50 5 DDBARN Cc1nn(C)c(N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1[N+](=O)[O-] ZINC000253426536 407446400 /nfs/dbraw/zinc/44/64/00/407446400.db2.gz RUQTXYNGBGMAAH-LLVKDONJSA-N 0 0 319.296 1.603 50 5 DDBARN Cc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1[N+](=O)[O-] ZINC000133435563 407845480 /nfs/dbraw/zinc/84/54/80/407845480.db2.gz ADPDDMPREJIJSD-LLVKDONJSA-N 0 0 316.321 1.631 50 5 DDBARN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000252587393 287228834 /nfs/dbraw/zinc/22/88/34/287228834.db2.gz XWYDDLVIRDDWFG-YPMHNXCESA-N 0 0 319.361 1.999 50 5 DDBARN Nc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000047672969 418460096 /nfs/dbraw/zinc/46/00/96/418460096.db2.gz MHZDTUSQCCZCSO-UHFFFAOYSA-N 0 0 321.333 1.593 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NN1CCCc2ccccc21 ZINC000408516093 418805922 /nfs/dbraw/zinc/80/59/22/418805922.db2.gz NCISDWOAIJQFEI-UHFFFAOYSA-N 0 0 301.306 1.275 50 5 DDBARN COc1c([N+](=O)[O-])cc(-c2nn3c(C)nnc3[nH]2)cc1[N+](=O)[O-] ZINC000002892528 274090655 /nfs/dbraw/zinc/09/06/55/274090655.db2.gz LACGKXMAGIITAP-UHFFFAOYSA-N 0 0 319.237 1.253 50 5 DDBARN O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl ZINC000018036630 280328950 /nfs/dbraw/zinc/32/89/50/280328950.db2.gz WDHWVBYYVWBZGG-BKUVIOGVSA-N 0 0 320.688 1.691 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NCCNc1ncnc2sccc21 ZINC000585092306 483920649 /nfs/dbraw/zinc/92/06/49/483920649.db2.gz OJTHATMRHFSDSF-UHFFFAOYSA-N 0 0 319.350 1.857 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NC(=O)CSC[C@@H]1CCCCO1 ZINC000585124614 771955854 /nfs/dbraw/zinc/95/58/54/771955854.db2.gz JMJDEVDQJSVGEK-VIFPVBQESA-N 0 0 314.367 1.569 50 5 DDBARN C[C@H](O)CC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000087425061 185224436 /nfs/dbraw/zinc/22/44/36/185224436.db2.gz NTGBFQVQIVCWCW-JTQLQIEISA-N 0 0 312.370 1.440 50 5 DDBARN COCCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000097052000 185403780 /nfs/dbraw/zinc/40/37/80/185403780.db2.gz IHLZDTKLTUGYIT-UHFFFAOYSA-N 0 0 307.350 1.194 50 5 DDBARN C[S@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000076023441 353391690 /nfs/dbraw/zinc/39/16/90/353391690.db2.gz LAQSQCKYFBBOQF-OAQYLSRUSA-N 0 0 315.370 1.234 50 5 DDBARN COC(=O)c1ccoc1Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000079021230 353546875 /nfs/dbraw/zinc/54/68/75/353546875.db2.gz GONUPXRKLLUQBR-UHFFFAOYSA-N 0 0 318.241 1.931 50 5 DDBARN Nc1ncnc(Oc2ccc3sc(=O)oc3c2)c1[N+](=O)[O-] ZINC000003912719 181058078 /nfs/dbraw/zinc/05/80/78/181058078.db2.gz DWBAEPDSOHRNKS-UHFFFAOYSA-N 0 0 306.259 1.927 50 5 DDBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248376 181087812 /nfs/dbraw/zinc/08/78/12/181087812.db2.gz YQITYQYYDKOXFW-UHFFFAOYSA-N 0 0 319.229 1.719 50 5 DDBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCCC3)c(=O)oc21 ZINC000004475984 181112148 /nfs/dbraw/zinc/11/21/48/181112148.db2.gz VMCPLMQRRGETID-UHFFFAOYSA-N 0 0 318.285 1.946 50 5 DDBARN O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1nnc2ccccc21 ZINC000006244264 181322518 /nfs/dbraw/zinc/32/25/18/181322518.db2.gz KKVCPLJCZCZQST-LLVKDONJSA-N 0 0 314.301 1.779 50 5 DDBARN Cn1cc(C[C@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)cn1 ZINC000095993858 193483171 /nfs/dbraw/zinc/48/31/71/193483171.db2.gz PHQRBGYMRDLMBK-GFCCVEGCSA-N 0 0 316.361 1.890 50 5 DDBARN Cc1c(Br)c([N+](=O)[O-])nn1CCN1CCOCC1 ZINC000020294611 182203798 /nfs/dbraw/zinc/20/37/98/182203798.db2.gz XKIOQBNICVXEQK-UHFFFAOYSA-N 0 0 319.159 1.194 50 5 DDBARN O=C(NCCCN1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000024366953 182379769 /nfs/dbraw/zinc/37/97/69/182379769.db2.gz MHBCXJIOINDSIF-UHFFFAOYSA-N 0 0 308.338 1.439 50 5 DDBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(C)c1 ZINC000025305544 182408206 /nfs/dbraw/zinc/40/82/06/182408206.db2.gz WHKRWQYJFQOEEQ-SECBINFHSA-N 0 0 317.305 1.085 50 5 DDBARN COc1cc(C(=O)OCCNc2ncccn2)ccc1[N+](=O)[O-] ZINC000065531874 184362032 /nfs/dbraw/zinc/36/20/32/184362032.db2.gz NCCDEBJRGHLMFP-UHFFFAOYSA-N 0 0 318.289 1.662 50 5 DDBARN CC(C)(C)ONC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156151601 197089604 /nfs/dbraw/zinc/08/96/04/197089604.db2.gz JCPUCQNOQZMEPF-UHFFFAOYSA-N 0 0 305.290 1.896 50 5 DDBARN O=[N+]([O-])c1ccccc1CNS(=O)(=O)N1CCCCCC1 ZINC000056088611 296514117 /nfs/dbraw/zinc/51/41/17/296514117.db2.gz MYKGEWOPFJMKKA-UHFFFAOYSA-N 0 0 313.379 1.805 50 5 DDBARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000132864 406624073 /nfs/dbraw/zinc/62/40/73/406624073.db2.gz PYIQYGGHLDLQGJ-LBPRGKRZSA-N 0 0 315.289 1.648 50 5 DDBARN O=C(CCCN1C(=O)CCC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002866826 406704553 /nfs/dbraw/zinc/70/45/53/406704553.db2.gz WLWMQEYOYDPTHR-UHFFFAOYSA-N 0 0 305.290 1.463 50 5 DDBARN C[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000005192736 406731484 /nfs/dbraw/zinc/73/14/84/406731484.db2.gz OFURCKIWGVBPMF-SNVBAGLBSA-N 0 0 322.369 1.040 50 5 DDBARN CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004008143 406720661 /nfs/dbraw/zinc/72/06/61/406720661.db2.gz CQONULVPXIUROW-UHFFFAOYSA-N 0 0 319.770 1.330 50 5 DDBARN NC(=O)[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000069897068 406788399 /nfs/dbraw/zinc/78/83/99/406788399.db2.gz ZLXRQHQRQYOIPO-ZDUSSCGKSA-N 0 0 320.349 1.263 50 5 DDBARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1[N+](=O)[O-] ZINC000009012041 406800041 /nfs/dbraw/zinc/80/00/41/406800041.db2.gz AAVPRMBZFJPHHR-JTQLQIEISA-N 0 0 316.277 1.017 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nc2nccc(C)n2n1 ZINC000012886690 406853620 /nfs/dbraw/zinc/85/36/20/406853620.db2.gz PQBHPNADNPYFGG-UHFFFAOYSA-N 0 0 312.289 1.902 50 5 DDBARN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCS(=O)CC1 ZINC000072311305 406881064 /nfs/dbraw/zinc/88/10/64/406881064.db2.gz BVYCTCPSMJDFMN-UHFFFAOYSA-N 0 0 311.363 1.970 50 5 DDBARN CN(CC(=O)NCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000026346777 406904714 /nfs/dbraw/zinc/90/47/14/406904714.db2.gz ZNRKTQTWNSHWMG-UHFFFAOYSA-N 0 0 305.256 1.705 50 5 DDBARN COc1ccc(S(=O)(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC000032895359 406955474 /nfs/dbraw/zinc/95/54/74/406955474.db2.gz PIRAAMNGGVFAEY-UHFFFAOYSA-N 0 0 300.336 1.824 50 5 DDBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000077990746 407016541 /nfs/dbraw/zinc/01/65/41/407016541.db2.gz CFETUFXGBPJGEQ-LLVKDONJSA-N 0 0 304.224 1.734 50 5 DDBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000078026243 407017404 /nfs/dbraw/zinc/01/74/04/407017404.db2.gz VLDNILWXDQRKOK-GFCCVEGCSA-N 0 0 318.251 1.663 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(CCN3CCOCC3)CC2)cc1 ZINC000039971499 407001866 /nfs/dbraw/zinc/00/18/66/407001866.db2.gz WSCGBABDTOHRLZ-UHFFFAOYSA-N 0 0 320.393 1.049 50 5 DDBARN COC(=O)[C@H]1C[C@@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959996 407217949 /nfs/dbraw/zinc/21/79/49/407217949.db2.gz UBKOMJHZGMHGMB-ZIAGYGMSSA-N 0 0 308.334 1.400 50 5 DDBARN Nc1nnc(CCNc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000170603348 407448207 /nfs/dbraw/zinc/44/82/07/407448207.db2.gz OYCUYOQJJSRIPN-UHFFFAOYSA-N 0 0 300.278 1.763 50 5 DDBARN CN(C)C(=O)C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000170601971 407448448 /nfs/dbraw/zinc/44/84/48/407448448.db2.gz PJYQDOJIAUZWBC-UHFFFAOYSA-N 0 0 318.377 1.867 50 5 DDBARN CCNC(=O)C1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190022303 408147142 /nfs/dbraw/zinc/14/71/42/408147142.db2.gz QXYVWAXGSAYLRN-UHFFFAOYSA-N 0 0 319.361 1.926 50 5 DDBARN C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000253370387 408814154 /nfs/dbraw/zinc/81/41/54/408814154.db2.gz QDRTZHLQNKWHQN-NXEZZACHSA-N 0 0 313.379 1.725 50 5 DDBARN C[C@@H]1CN(C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000160496367 274350597 /nfs/dbraw/zinc/35/05/97/274350597.db2.gz GIFDVNLPQKWKKR-XQQFMLRXSA-N 0 0 321.381 1.463 50 5 DDBARN O=[N+]([O-])c1cnn(-c2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000084483563 275041952 /nfs/dbraw/zinc/04/19/52/275041952.db2.gz RZAVXPVWQVKCJX-UHFFFAOYSA-N 0 0 307.273 1.885 50 5 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CNC(=O)c1ccc(N[C@@H](CC(C)C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000065536474 184362252 /nfs/dbraw/zinc/36/22/52/184362252.db2.gz YDWPXPCJCBWUHL-LBPRGKRZSA-N 0 0 323.349 1.954 50 5 DDBARN COc1cccc([C@H]2c3c(C)[nH]nc3OC(N)=C2[N+](=O)[O-])c1 ZINC000000481917 406649859 /nfs/dbraw/zinc/64/98/59/406649859.db2.gz GUGCBPYKURWCMZ-NSHDSACASA-N 0 0 302.290 1.656 50 5 DDBARN CCCCN(C)c1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1 ZINC000005503301 406732428 /nfs/dbraw/zinc/73/24/28/406732428.db2.gz NXDGZFVWJUEVRO-UHFFFAOYSA-N 0 0 310.358 1.040 50 5 DDBARN COC(=O)c1cc(C(=O)NN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000008137464 406778348 /nfs/dbraw/zinc/77/83/48/406778348.db2.gz LZZQSWKGBCCUOB-UHFFFAOYSA-N 0 0 307.306 1.512 50 5 DDBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nncn1C1CC1 ZINC000071882354 406861211 /nfs/dbraw/zinc/86/12/11/406861211.db2.gz DPBVWDZYAKVTEY-QPJJXVBHSA-N 0 0 313.317 1.851 50 5 DDBARN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CCNC2=O)C1 ZINC000071907724 406865280 /nfs/dbraw/zinc/86/52/80/406865280.db2.gz AIWQYXFYWWYSJH-NSHDSACASA-N 0 0 305.338 1.292 50 5 DDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(N)n[nH]1 ZINC000014359842 406874805 /nfs/dbraw/zinc/87/48/05/406874805.db2.gz KJIKSDPJJVYJBR-UHFFFAOYSA-N 0 0 324.322 1.035 50 5 DDBARN COc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000015174409 406879800 /nfs/dbraw/zinc/87/98/00/406879800.db2.gz KMQRPAYPNMSTAX-UHFFFAOYSA-N 0 0 323.330 1.994 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CC3)c3ccccc32)c1 ZINC000072667299 406884734 /nfs/dbraw/zinc/88/47/34/406884734.db2.gz UXBFFWHBOIYIHS-ZDUSSCGKSA-N 0 0 314.345 1.704 50 5 DDBARN Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)n2ncnc2n1 ZINC000025571140 406899045 /nfs/dbraw/zinc/89/90/45/406899045.db2.gz YLWYJHQRTZXGQR-UHFFFAOYSA-N 0 0 313.321 1.865 50 5 DDBARN CN1C[C@]2([N+](=O)[O-])CC(Oc3ccccc3)=C[C@]([N+](=O)[O-])(C1)C2 ZINC000036033906 406975581 /nfs/dbraw/zinc/97/55/81/406975581.db2.gz FMLSXIISAOVPEC-CABCVRRESA-N 0 0 319.317 1.720 50 5 DDBARN Cc1cc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n(C)n1 ZINC000040512234 407004178 /nfs/dbraw/zinc/00/41/78/407004178.db2.gz IIYYVQOYUPSBJY-UHFFFAOYSA-N 0 0 303.322 1.955 50 5 DDBARN Cc1cc2ncn(C[C@@H](O)Cn3cnc([N+](=O)[O-])n3)c2cc1C ZINC000095438919 407214303 /nfs/dbraw/zinc/21/43/03/407214303.db2.gz MLUSMUQELSDNGL-LLVKDONJSA-N 0 0 316.321 1.214 50 5 DDBARN Cc1nc2ccccc2n1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435681 407265602 /nfs/dbraw/zinc/26/56/02/407265602.db2.gz KVYOSPIDUMUDGQ-GFCCVEGCSA-N 0 0 301.306 1.511 50 5 DDBARN COC[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000096431055 407265665 /nfs/dbraw/zinc/26/56/65/407265665.db2.gz RCMOQTAJEQMOKF-CYBMUJFWSA-N 0 0 321.377 1.916 50 5 DDBARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000044551512 418429420 /nfs/dbraw/zinc/42/94/20/418429420.db2.gz HGPFCIBVTORZCE-AAEUAGOBSA-N 0 0 303.318 1.947 50 5 DDBARN Cc1cccnc1NC(=O)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000408524031 418809132 /nfs/dbraw/zinc/80/91/32/418809132.db2.gz POQSEBLBJWQWDM-UHFFFAOYSA-N 0 0 315.333 2.442 50 5 DDBARN CC(=O)c1ccc(N[C@@H](CO)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000408523367 418809175 /nfs/dbraw/zinc/80/91/75/418809175.db2.gz JMXYBJVJJQPVJC-CYBMUJFWSA-N 0 0 318.333 1.546 50 5 DDBARN Cc1ccnc(N2CCC[C@H](c3nnc(N)o3)C2)c1[N+](=O)[O-] ZINC000585092829 483920640 /nfs/dbraw/zinc/92/06/40/483920640.db2.gz PNZKKYHJFPQUSV-VIFPVBQESA-N 0 0 304.310 1.647 50 5 DDBARN COc1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)c1 ZINC000128627421 526185139 /nfs/dbraw/zinc/18/51/39/526185139.db2.gz VPCOYLFYAUAIIV-UHFFFAOYSA-N 0 0 317.301 1.712 50 5 DDBARN O=C(Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(F)F ZINC000585126318 771958224 /nfs/dbraw/zinc/95/82/24/771958224.db2.gz WLKCAUNFUYUSLV-UHFFFAOYSA-N 0 0 301.249 1.635 50 5 DDBARN O=c1c2ccsc2ccn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000097052830 185404171 /nfs/dbraw/zinc/40/41/71/185404171.db2.gz YQMDHYDNYMTVBY-SNVBAGLBSA-N 0 0 320.330 1.229 50 5 DDBARN COc1ccc(C(N)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000431485 180789199 /nfs/dbraw/zinc/78/91/99/180789199.db2.gz NIJHDORLODSFFV-UHFFFAOYSA-N 0 0 315.285 1.955 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ncccn2)c1 ZINC000072291555 353197422 /nfs/dbraw/zinc/19/74/22/353197422.db2.gz UHRNIYZBJIGPJE-UHFFFAOYSA-N 0 0 324.300 1.752 50 5 DDBARN Cn1cc([C@@](C)(O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000078869943 353535750 /nfs/dbraw/zinc/53/57/50/353535750.db2.gz DUUAIBKTPHMKPH-AWEZNQCLSA-N 0 0 319.321 1.358 50 5 DDBARN Cc1nc([N+](=O)[O-])c(N2CCN(C)CC2)n1Cc1ccccc1 ZINC000003832886 181047569 /nfs/dbraw/zinc/04/75/69/181047569.db2.gz ZYMGZPLQRLNOFM-UHFFFAOYSA-N 0 0 315.377 1.900 50 5 DDBARN O=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004401870 181107543 /nfs/dbraw/zinc/10/75/43/181107543.db2.gz KVFSHEKCEFPSHC-UHFFFAOYSA-N 0 0 308.294 1.927 50 5 DDBARN O=[N+]([O-])c1ccn(Cc2nc(-c3ccc4c(c3)OCO4)no2)n1 ZINC000004770125 181149910 /nfs/dbraw/zinc/14/99/10/181149910.db2.gz REYLOWPOQJZIDI-UHFFFAOYSA-N 0 0 315.245 1.618 50 5 DDBARN Cc1cc(NCC23COCCN2CCOC3)ccc1[N+](=O)[O-] ZINC000585132584 354810524 /nfs/dbraw/zinc/81/05/24/354810524.db2.gz BCBGWXIZNKHBRG-UHFFFAOYSA-N 0 0 307.350 1.416 50 5 DDBARN COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000078551775 191884445 /nfs/dbraw/zinc/88/44/45/191884445.db2.gz FZMZPIHEUVTRFA-SNVBAGLBSA-N 0 0 311.269 1.903 50 5 DDBARN CCOc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005207281 181217274 /nfs/dbraw/zinc/21/72/74/181217274.db2.gz AZCFKDCUUJJTNM-UHFFFAOYSA-N 0 0 300.336 1.778 50 5 DDBARN O=c1cc(COc2cccnc2[N+](=O)[O-])nc2sccn21 ZINC000005970939 181302310 /nfs/dbraw/zinc/30/23/10/181302310.db2.gz OYQJTTATKHARTN-UHFFFAOYSA-N 0 0 304.287 1.638 50 5 DDBARN Cc1ccnc2nc(C(=O)Nc3cccc([N+](=O)[O-])c3C)nn21 ZINC000019164696 182106862 /nfs/dbraw/zinc/10/68/62/182106862.db2.gz VRSBGRFLIOJGAI-UHFFFAOYSA-N 0 0 312.289 1.902 50 5 DDBARN Cc1ccc(OCCOCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000020118569 182189439 /nfs/dbraw/zinc/18/94/39/182189439.db2.gz XTWJUQBNGXLPMS-UHFFFAOYSA-N 0 0 310.350 1.631 50 5 DDBARN NC(=O)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000040542677 183098712 /nfs/dbraw/zinc/09/87/12/183098712.db2.gz OWHPGPKQJHGHLA-UHFFFAOYSA-N 0 0 305.334 1.251 50 5 DDBARN C[C@@H](Cn1ccnc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000052749844 183870004 /nfs/dbraw/zinc/87/00/04/183870004.db2.gz UPDZRUUDVCMGQJ-LBPRGKRZSA-N 0 0 317.349 1.798 50 5 DDBARN Cc1nc(C(C)C)oc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000521394431 257241515 /nfs/dbraw/zinc/24/15/15/257241515.db2.gz RMKBMZFQKNDEHQ-UHFFFAOYSA-N 0 0 307.310 1.528 50 5 DDBARN Cc1ccc(S(=O)(=O)Oc2c[n+]([O-])ccc2[N+](=O)[O-])cc1 ZINC000248017077 292185606 /nfs/dbraw/zinc/18/56/06/292185606.db2.gz LBIQIXUMMHLDMD-UHFFFAOYSA-N 0 0 310.287 1.304 50 5 DDBARN CCOC(=O)CN1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000000366263 406641861 /nfs/dbraw/zinc/64/18/61/406641861.db2.gz NMRPOHVKAQYACD-LLVKDONJSA-N 0 0 306.274 1.000 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000006926288 406744539 /nfs/dbraw/zinc/74/45/39/406744539.db2.gz VQGOKTVOAMBNNA-SNVBAGLBSA-N 0 0 303.196 1.677 50 5 DDBARN CCC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC ZINC000007554027 406760587 /nfs/dbraw/zinc/76/05/87/406760587.db2.gz QQXRZOCDKZFFLU-LBPRGKRZSA-N 0 0 321.358 1.951 50 5 DDBARN COc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000069388996 406706872 /nfs/dbraw/zinc/70/68/72/406706872.db2.gz AGAHSIYERWUIHL-NSHDSACASA-N 0 0 310.306 1.277 50 5 DDBARN Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000008995166 406799312 /nfs/dbraw/zinc/79/93/12/406799312.db2.gz QLARMJQWEQXUKR-SNVBAGLBSA-N 0 0 300.274 1.461 50 5 DDBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccn1 ZINC000012636838 406850054 /nfs/dbraw/zinc/85/00/54/406850054.db2.gz LTFVBWORNCDNCO-UHFFFAOYSA-N 0 0 322.346 1.292 50 5 DDBARN NS(=O)(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000071899642 406864353 /nfs/dbraw/zinc/86/43/53/406864353.db2.gz HJQPSNMGNIICNT-SECBINFHSA-N 0 0 317.342 1.239 50 5 DDBARN O=C(Cn1cccn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024972220 406892387 /nfs/dbraw/zinc/89/23/87/406892387.db2.gz MKGWUBWUKCJRJJ-UHFFFAOYSA-N 0 0 315.333 1.140 50 5 DDBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(N)=O)C1 ZINC000034887426 406965558 /nfs/dbraw/zinc/96/55/58/406965558.db2.gz QILMBZWXKRSDRJ-MNOVXSKESA-N 0 0 320.349 1.119 50 5 DDBARN COCCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777299 406953804 /nfs/dbraw/zinc/95/38/04/406953804.db2.gz JYXBVNLVGWNOIL-UHFFFAOYSA-N 0 0 311.319 1.591 50 5 DDBARN C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000033081288 406959092 /nfs/dbraw/zinc/95/90/92/406959092.db2.gz CBWGLRNXYAGECH-GFUIURDCSA-N 0 0 319.361 1.445 50 5 DDBARN Cc1c(CSCc2nc(N)nc(N)n2)cccc1[N+](=O)[O-] ZINC000089540494 407138802 /nfs/dbraw/zinc/13/88/02/407138802.db2.gz YXFDUVJTYSPRBL-UHFFFAOYSA-N 0 0 306.351 1.686 50 5 DDBARN O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CC1 ZINC000096232551 407253692 /nfs/dbraw/zinc/25/36/92/407253692.db2.gz HRTZLGNEZKSTIF-UHFFFAOYSA-N 0 0 316.317 1.364 50 5 DDBARN CC(=O)NCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000095980543 407220618 /nfs/dbraw/zinc/22/06/18/407220618.db2.gz LKZHZTKHRSJEGB-UHFFFAOYSA-N 0 0 303.116 1.300 50 5 DDBARN COCC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000253424308 407444985 /nfs/dbraw/zinc/44/49/85/407444985.db2.gz DGDBXSMBNHFCGF-VIFPVBQESA-N 0 0 313.310 1.122 50 5 DDBARN CNC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000225435572 407583288 /nfs/dbraw/zinc/58/32/88/407583288.db2.gz QDWOYAIFZILYMZ-GFCCVEGCSA-N 0 0 316.317 1.176 50 5 DDBARN O=C1[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl ZINC000018256286 280329924 /nfs/dbraw/zinc/32/99/24/280329924.db2.gz WDHWVBYYVWBZGG-USZNOCQGSA-N 0 0 320.688 1.691 50 5 DDBARN C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000097044224 696605098 /nfs/dbraw/zinc/60/50/98/696605098.db2.gz CBWGLRNXYAGECH-SZZPACECSA-N 0 0 319.361 1.445 50 5 DDBARN COCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cn1 ZINC000095415158 185358652 /nfs/dbraw/zinc/35/86/52/185358652.db2.gz GRQLSCRROJYXID-JTQLQIEISA-N 0 0 304.310 1.675 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])c1)NC1(c2ccccc2)CCC1 ZINC000084525198 192437827 /nfs/dbraw/zinc/43/78/27/192437827.db2.gz FINVQPCRRBPERI-UHFFFAOYSA-N 0 0 300.318 1.987 50 5 DDBARN CC(C)[C@@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003602182 181038786 /nfs/dbraw/zinc/03/87/86/181038786.db2.gz PQLYNXPUCDDRDY-SECBINFHSA-N 0 0 319.317 1.352 50 5 DDBARN COc1ccccc1Nc1nc(N(C)C)nc(N)c1[N+](=O)[O-] ZINC000004306390 181094944 /nfs/dbraw/zinc/09/49/44/181094944.db2.gz LEIQVTFKDYHGCQ-UHFFFAOYSA-N 0 0 304.310 1.785 50 5 DDBARN CS(=O)(=O)NCCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000004313602 181095994 /nfs/dbraw/zinc/09/59/94/181095994.db2.gz RZIHTVKIHPMKSM-UHFFFAOYSA-N 0 0 307.759 1.599 50 5 DDBARN Cc1n[nH]c(C(=O)NC[C@H](O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000077631864 191744912 /nfs/dbraw/zinc/74/49/12/191744912.db2.gz LKXJLMGTQMBNQQ-JTQLQIEISA-N 0 0 324.724 1.743 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCc3ccccc32)c1 ZINC000081156957 192230281 /nfs/dbraw/zinc/23/02/81/192230281.db2.gz QRQXZXDZVXSUBX-HNNXBMFYSA-N 0 0 316.361 1.995 50 5 DDBARN NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000016662898 283319294 /nfs/dbraw/zinc/31/92/94/283319294.db2.gz XAENJXKCLRQVLA-SECBINFHSA-N 0 0 307.306 1.021 50 5 DDBARN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCN(c2nccs2)CC1 ZINC000604441992 359751732 /nfs/dbraw/zinc/75/17/32/359751732.db2.gz SGHIYERJTRTTNZ-UHFFFAOYSA-N 0 0 321.362 1.732 50 5 DDBARN Cn1ccnc1Sc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000005959309 181301498 /nfs/dbraw/zinc/30/14/98/181301498.db2.gz LZPLIFJIRLIUFJ-UHFFFAOYSA-N 0 0 313.360 1.883 50 5 DDBARN Cc1cc([N+](=O)[O-])cn(Cc2nc(-c3cccs3)n[nH]2)c1=O ZINC000093904763 193326084 /nfs/dbraw/zinc/32/60/84/193326084.db2.gz MOLDJYAMQWAURH-UHFFFAOYSA-N 0 0 317.330 1.960 50 5 DDBARN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccncc2)CC1 ZINC000097376060 193713233 /nfs/dbraw/zinc/71/32/33/193713233.db2.gz ADFWPAIDIRELFS-UHFFFAOYSA-N 0 0 313.317 1.429 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 ZINC000020745070 182245891 /nfs/dbraw/zinc/24/58/91/182245891.db2.gz OZEWNVJOBXCJGQ-JTQLQIEISA-N 0 0 316.277 1.017 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@@H]1CCCO1 ZINC000024432923 182380758 /nfs/dbraw/zinc/38/07/58/182380758.db2.gz SFDNKTIREHDYIY-JTQLQIEISA-N 0 0 300.336 1.442 50 5 DDBARN CCN(CCCNc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000038035983 182976157 /nfs/dbraw/zinc/97/61/57/182976157.db2.gz SAWQYAWNSZTCPS-UHFFFAOYSA-N 0 0 319.358 1.817 50 5 DDBARN [NH3+]Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000063191051 184277260 /nfs/dbraw/zinc/27/72/60/184277260.db2.gz BAEOFUHZGUELLQ-UHFFFAOYSA-N 0 0 307.331 1.854 50 5 DDBARN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000071902801 184896615 /nfs/dbraw/zinc/89/66/15/184896615.db2.gz OMRKZYRPZFZJFN-VIFPVBQESA-N 0 0 318.255 1.589 50 5 DDBARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065473 406618776 /nfs/dbraw/zinc/61/87/76/406618776.db2.gz CIBVLNVBSOKSSA-GFCCVEGCSA-N 0 0 315.289 1.648 50 5 DDBARN O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc([N+](=O)[O-])o1 ZINC000000126821 406623593 /nfs/dbraw/zinc/62/35/93/406623593.db2.gz GRDHSWVANLMGQQ-UHFFFAOYSA-N 0 0 301.214 1.324 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000002067054 406682280 /nfs/dbraw/zinc/68/22/80/406682280.db2.gz KNEPPUJNMDUVJW-UHFFFAOYSA-N 0 0 321.249 1.497 50 5 DDBARN Cc1nn(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000002776918 406698635 /nfs/dbraw/zinc/69/86/35/406698635.db2.gz HIARTZWIZXXOSR-UWVGGRQHSA-N 0 0 310.354 1.434 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1 ZINC000003065962 406710212 /nfs/dbraw/zinc/71/02/12/406710212.db2.gz HBVLPUBTEXIGNQ-UHFFFAOYSA-N 0 0 322.342 1.952 50 5 DDBARN Cc1c(C(=O)OCC(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000003224808 406714264 /nfs/dbraw/zinc/71/42/64/406714264.db2.gz LDKQMLQIVWXKTK-LLVKDONJSA-N 0 0 322.317 1.355 50 5 DDBARN O=C(COC(=O)c1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003248399 406717713 /nfs/dbraw/zinc/71/77/13/406717713.db2.gz GRLNSZOSKRMTCE-UHFFFAOYSA-N 0 0 319.248 1.924 50 5 DDBARN O=C(c1ccccn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004684551 406725428 /nfs/dbraw/zinc/72/54/28/406725428.db2.gz AXZCBXRYSBTMCC-UHFFFAOYSA-N 0 0 312.329 1.952 50 5 DDBARN O=[N+]([O-])c1cccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000071892937 406862754 /nfs/dbraw/zinc/86/27/54/406862754.db2.gz OPWIZFYLRGCVMQ-AWEZNQCLSA-N 0 0 310.375 1.746 50 5 DDBARN Cn1ncc(C(=O)N=[S@](C)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000013466085 406863374 /nfs/dbraw/zinc/86/33/74/406863374.db2.gz GYSQZQICXGFFNA-OAQYLSRUSA-N 0 0 308.319 1.625 50 5 DDBARN NS(=O)(=O)C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000071899638 406864009 /nfs/dbraw/zinc/86/40/09/406864009.db2.gz JWOXHGBOEYEIHK-SECBINFHSA-N 0 0 317.342 1.239 50 5 DDBARN CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000071902800 406864879 /nfs/dbraw/zinc/86/48/79/406864879.db2.gz OMRKZYRPZFZJFN-SECBINFHSA-N 0 0 318.255 1.589 50 5 DDBARN Cc1c(CN2C(=O)N[C@]3(CCSC3)C2=O)cccc1[N+](=O)[O-] ZINC000044944245 407034886 /nfs/dbraw/zinc/03/48/86/407034886.db2.gz QJNKVIJBWJESPL-AWEZNQCLSA-N 0 0 321.358 1.831 50 5 DDBARN COc1ccc(S(=O)(=O)N2CC(C)(OC)C2)c([N+](=O)[O-])c1 ZINC000089919522 407158112 /nfs/dbraw/zinc/15/81/12/407158112.db2.gz UPMUKPAQTCDZNR-UHFFFAOYSA-N 0 0 316.335 1.013 50 5 DDBARN CCN(CC(=O)N(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000052896594 407160363 /nfs/dbraw/zinc/16/03/63/407160363.db2.gz LSAMUBJCXPJKDG-UHFFFAOYSA-N 0 0 322.365 1.334 50 5 DDBARN O=C(N[C@H]1CCCCNC1=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000097058050 407277953 /nfs/dbraw/zinc/27/79/53/407277953.db2.gz XSYYCSYBWNVDOZ-JTQLQIEISA-N 0 0 313.260 1.272 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cn[nH]n1 ZINC000267312402 407830576 /nfs/dbraw/zinc/83/05/76/407830576.db2.gz DJERVJZGSLZJAX-SSDOTTSWSA-N 0 0 323.334 1.841 50 5 DDBARN Cn1nccc1N1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000241657593 407911810 /nfs/dbraw/zinc/91/18/10/407911810.db2.gz PXNLBPBWAHSUIB-VIFPVBQESA-N 0 0 308.367 1.866 50 5 DDBARN O=C(c1ccccn1)N1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000192492022 408596820 /nfs/dbraw/zinc/59/68/20/408596820.db2.gz TWGLAFBRJPLQFZ-VIFPVBQESA-N 0 0 319.346 1.773 50 5 DDBARN O=C(N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1(O)CCC1 ZINC000170083700 418517487 /nfs/dbraw/zinc/51/74/87/418517487.db2.gz QOTOKWDPPZHVBL-UHFFFAOYSA-N 0 0 319.361 1.154 50 5 DDBARN CNc1ncnc2c1N[C@H](NN)c1cc([N+](=O)[O-])ccc1S2 ZINC000019171932 277305958 /nfs/dbraw/zinc/30/59/58/277305958.db2.gz VWWDZENIGYTKFU-SNVBAGLBSA-N 0 0 319.350 1.465 50 5 DDBARN Cn1cccc1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000097143901 279371407 /nfs/dbraw/zinc/37/14/07/279371407.db2.gz MINUGCVONYZXRN-LLVKDONJSA-N 0 0 305.290 1.740 50 5 DDBARN CCO[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCC2 ZINC000154909041 279929360 /nfs/dbraw/zinc/92/93/60/279929360.db2.gz PHJMUSPBRAGJTQ-QWRGUYRKSA-N 0 0 307.354 1.751 50 5 DDBARN CO[C@H]1CCCC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000084271904 483994102 /nfs/dbraw/zinc/99/41/02/483994102.db2.gz SQAIXOLLVUGVMV-RYUDHWBXSA-N 0 0 311.338 1.991 50 5 DDBARN CCOc1ccc(C(=O)Cn2cccnc2=N)cc1[N+](=O)[O-] ZINC000022018574 696075922 /nfs/dbraw/zinc/07/59/22/696075922.db2.gz GZECJULRUVIDSG-UHFFFAOYSA-N 0 0 302.290 1.552 50 5 DDBARN Cc1nc(N2CCC(Cc3nncn3C)CC2)ccc1[N+](=O)[O-] ZINC000952993165 721533938 /nfs/dbraw/zinc/53/39/38/721533938.db2.gz LVJQEECURFRYRN-UHFFFAOYSA-N 0 0 316.365 1.886 50 5 DDBARN Cc1cc(S(=O)(=O)NCc2ccncc2)ccc1[N+](=O)[O-] ZINC000095453286 185369518 /nfs/dbraw/zinc/36/95/18/185369518.db2.gz ICGUQBUECAAJMA-UHFFFAOYSA-N 0 0 307.331 1.777 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000069829970 190826169 /nfs/dbraw/zinc/82/61/69/190826169.db2.gz VLTOVHUNQOTVDH-SECBINFHSA-N 0 0 319.317 1.553 50 5 DDBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n(C(=O)OC)n1 ZINC000048552232 352542218 /nfs/dbraw/zinc/54/22/18/352542218.db2.gz KDFWYKWSDFJORI-UHFFFAOYSA-N 0 0 305.246 1.859 50 5 DDBARN Cc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)c(N(C)C)c1 ZINC000084928111 192474260 /nfs/dbraw/zinc/47/42/60/192474260.db2.gz IGJHBMASWXLPKC-UHFFFAOYSA-N 0 0 302.338 1.954 50 5 DDBARN CC(=O)N1c2ccccc2N(C(C)=O)[C@@H]2C=C([N+](=O)[O-])C=C[C@H]21 ZINC000075283028 353357167 /nfs/dbraw/zinc/35/71/67/353357167.db2.gz HOADNDIHMPLSBQ-HZPDHXFCSA-N 0 0 313.313 1.874 50 5 DDBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCO1 ZINC000003442554 181020361 /nfs/dbraw/zinc/02/03/61/181020361.db2.gz RUXPAAUZRGNUKO-SNVBAGLBSA-N 0 0 314.725 1.922 50 5 DDBARN CCOC(=O)COc1c(OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004416142 181108217 /nfs/dbraw/zinc/10/82/17/181108217.db2.gz GPLKIEMJYYDBQN-UHFFFAOYSA-N 0 0 300.223 1.454 50 5 DDBARN Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000004481870 181112588 /nfs/dbraw/zinc/11/25/88/181112588.db2.gz AIKFIMKHXZRLMP-UHFFFAOYSA-N 0 0 311.348 1.759 50 5 DDBARN COc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000004712883 181141019 /nfs/dbraw/zinc/14/10/19/181141019.db2.gz IUOKXWYHTHMGEG-UHFFFAOYSA-N 0 0 304.306 1.425 50 5 DDBARN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000004743839 181146101 /nfs/dbraw/zinc/14/61/01/181146101.db2.gz FFMMGCYPPHTPAJ-UHFFFAOYSA-N 0 0 318.289 1.470 50 5 DDBARN COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000004743073 181146138 /nfs/dbraw/zinc/14/61/38/181146138.db2.gz MBDJODJWDOLIII-UHFFFAOYSA-N 0 0 320.305 1.125 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1CO ZINC000081487622 192274205 /nfs/dbraw/zinc/27/42/05/192274205.db2.gz FKZLIKNROYHYKC-HIFRSBDPSA-N 0 0 321.377 1.988 50 5 DDBARN O=C(N1CCOCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027341286 283893097 /nfs/dbraw/zinc/89/30/97/283893097.db2.gz WOEXPDLTZWMDCM-UHFFFAOYSA-N 0 0 320.349 1.169 50 5 DDBARN Cc1ccc(NC(=O)C(=O)NCc2ccncc2)c([N+](=O)[O-])c1 ZINC000010327489 181665543 /nfs/dbraw/zinc/66/55/43/181665543.db2.gz HXMMMWLQYUWCNG-UHFFFAOYSA-N 0 0 314.301 1.553 50 5 DDBARN CCC(CC)NS(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000012691014 181788418 /nfs/dbraw/zinc/78/84/18/181788418.db2.gz ZDMGOTYQNOSHIH-UHFFFAOYSA-N 0 0 318.399 1.516 50 5 DDBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000020606237 182237901 /nfs/dbraw/zinc/23/79/01/182237901.db2.gz UYOHAZXKVJSVJY-IJLUTSLNSA-N 0 0 308.334 1.998 50 5 DDBARN CCN(CC)C(=O)CN(C)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000022807654 182335978 /nfs/dbraw/zinc/33/59/78/182335978.db2.gz AWCBASYQYSONGQ-UHFFFAOYSA-N 0 0 323.349 1.686 50 5 DDBARN CN(Cc1ccccn1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000040556349 183102555 /nfs/dbraw/zinc/10/25/55/183102555.db2.gz QUURGCSJSFXSAD-UHFFFAOYSA-N 0 0 311.301 1.634 50 5 DDBARN COc1cc(C(=O)n2ccc([N+](=O)[O-])n2)cc(OC)c1OC ZINC000000078640 406617440 /nfs/dbraw/zinc/61/74/40/406617440.db2.gz BMMMAGPCYBNBKQ-UHFFFAOYSA-N 0 0 307.262 1.506 50 5 DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000071016 406618690 /nfs/dbraw/zinc/61/86/90/406618690.db2.gz JBIYEDHAISFPCC-LLVKDONJSA-N 0 0 316.277 1.043 50 5 DDBARN CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(N)=O)n2)cc1 ZINC000001432611 406667460 /nfs/dbraw/zinc/66/74/60/406667460.db2.gz XQGUPHSQEVPNDJ-UHFFFAOYSA-N 0 0 317.305 1.091 50 5 DDBARN CCOC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cn2)nc1N ZINC000002161373 406683644 /nfs/dbraw/zinc/68/36/44/406683644.db2.gz VUTUSUIHBVUSNU-UHFFFAOYSA-N 0 0 321.318 1.690 50 5 DDBARN COC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000002739522 406696979 /nfs/dbraw/zinc/69/69/79/406696979.db2.gz JOUJJJWUJFIUCL-UHFFFAOYSA-N 0 0 306.318 1.928 50 5 DDBARN O=[N+]([O-])c1nc(N2CCOCC2)n(CCc2ccccc2)n1 ZINC000009142751 406803050 /nfs/dbraw/zinc/80/30/50/406803050.db2.gz FLWQXIGXLVIGOE-UHFFFAOYSA-N 0 0 303.322 1.266 50 5 DDBARN Cc1cc(OCc2nc(N)nc(N(C)C)n2)ccc1[N+](=O)[O-] ZINC000008944516 406799438 /nfs/dbraw/zinc/79/94/38/406799438.db2.gz ZIZUKPWGWUDAAK-UHFFFAOYSA-N 0 0 304.310 1.315 50 5 DDBARN COC(=O)c1cc(C(=O)OC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000025396944 406897081 /nfs/dbraw/zinc/89/70/81/406897081.db2.gz XRTZOWZILUCSRB-GFCCVEGCSA-N 0 0 309.274 1.717 50 5 DDBARN CC(C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035585200 406973415 /nfs/dbraw/zinc/97/34/15/406973415.db2.gz NENONYOEPNGZKL-UHFFFAOYSA-N 0 0 313.379 1.310 50 5 DDBARN Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1 ZINC000036058250 406975173 /nfs/dbraw/zinc/97/51/73/406975173.db2.gz BQFKSLBLOMEADE-BJOHPYRUSA-N 0 0 305.334 1.732 50 5 DDBARN Cc1nn([C@H]2CCCN(c3cnn(C)c3)C2=O)c(C)c1[N+](=O)[O-] ZINC000076062501 406952770 /nfs/dbraw/zinc/95/27/70/406952770.db2.gz GVERSGCDWWASAR-LBPRGKRZSA-N 0 0 318.337 1.510 50 5 DDBARN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000077990742 407016381 /nfs/dbraw/zinc/01/63/81/407016381.db2.gz LANSXQJGRPGTAH-NSHDSACASA-N 0 0 304.224 1.734 50 5 DDBARN O=[N+]([O-])c1ncn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)n1 ZINC000096008307 407223870 /nfs/dbraw/zinc/22/38/70/407223870.db2.gz DYPUWEGLWLNFFA-UHFFFAOYSA-N 0 0 323.675 1.608 50 5 DDBARN CN(C)c1ccc(COC(=O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000096502374 407273169 /nfs/dbraw/zinc/27/31/69/407273169.db2.gz DTNMAHANJKJTFY-UHFFFAOYSA-N 0 0 304.306 1.751 50 5 DDBARN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 ZINC000221698582 407550393 /nfs/dbraw/zinc/55/03/93/407550393.db2.gz WQRARKUJSUIFDP-XQRVVYSFSA-N 0 0 319.361 1.399 50 5 DDBARN O=[N+]([O-])c1ccc(OCc2nnn(CC(F)(F)F)n2)cc1 ZINC000239761421 407904110 /nfs/dbraw/zinc/90/41/10/407904110.db2.gz CJVXRUMZPLTGOD-UHFFFAOYSA-N 0 0 303.200 1.723 50 5 DDBARN Cc1nc(Sc2ncccc2[N+](=O)[O-])sc1CC(N)=O ZINC000045650785 418441302 /nfs/dbraw/zinc/44/13/02/418441302.db2.gz LHMHFTZGKCLACK-UHFFFAOYSA-N 0 0 310.360 1.934 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000133637442 280662747 /nfs/dbraw/zinc/66/27/47/280662747.db2.gz LUWJARGTKBHZKC-SNVBAGLBSA-N 0 0 316.321 1.631 50 5 DDBARN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000097097832 290243392 /nfs/dbraw/zinc/24/33/92/290243392.db2.gz DNNGPTGDVPUIIW-RISCZKNCSA-N 0 0 319.361 1.857 50 5 DDBARN Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000005590631 295355303 /nfs/dbraw/zinc/35/53/03/295355303.db2.gz QCJYVHOWYPTHIZ-UHFFFAOYSA-N 0 0 323.286 1.918 50 5 DDBARN Nc1n[nH]c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000006321226 331495449 /nfs/dbraw/zinc/49/54/49/331495449.db2.gz QJSIXOJRUIHETF-UHFFFAOYSA-N 0 0 312.286 1.165 50 5 DDBARN O=[N+]([O-])c1cccnc1N1CCN(c2cncc(F)c2)CC1 ZINC000585092192 483920519 /nfs/dbraw/zinc/92/05/19/483920519.db2.gz ITPFKCSJHQLUKI-UHFFFAOYSA-N 0 0 303.297 1.851 50 5 DDBARN CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000328593987 528938908 /nfs/dbraw/zinc/93/89/08/528938908.db2.gz GHMQQDQPWUJAGQ-SNVBAGLBSA-N 0 0 309.322 1.700 50 5 DDBARN COC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](C(N)=O)C1 ZINC000585092758 771941846 /nfs/dbraw/zinc/94/18/46/771941846.db2.gz MQKOTZQKGGOPMZ-VIFPVBQESA-N 0 0 307.306 1.083 50 5 DDBARN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000078997041 185143187 /nfs/dbraw/zinc/14/31/87/185143187.db2.gz UHKCRJDMLZAOMZ-NVXWUHKLSA-N 0 0 312.325 1.912 50 5 DDBARN Cc1nn(C)cc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000375568 180770477 /nfs/dbraw/zinc/77/04/77/180770477.db2.gz BLZQCWATNSDCNL-VMPITWQZSA-N 0 0 300.318 1.966 50 5 DDBARN C[S@](=O)CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000076023455 353391591 /nfs/dbraw/zinc/39/15/91/353391591.db2.gz WTGGBJNUPAPJKL-OAQYLSRUSA-N 0 0 315.370 1.234 50 5 DDBARN Nc1n[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000003290957 181000916 /nfs/dbraw/zinc/00/09/16/181000916.db2.gz BWPUBTSMYLABBM-UHFFFAOYSA-N 0 0 312.286 1.165 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc[nH]n1 ZINC000003446447 181020599 /nfs/dbraw/zinc/02/05/99/181020599.db2.gz LXNUAYVLMMIJOL-UHFFFAOYSA-N 0 0 309.307 1.452 50 5 DDBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1 ZINC000003502635 181026847 /nfs/dbraw/zinc/02/68/47/181026847.db2.gz AREQEOUYVNWRQV-SNVBAGLBSA-N 0 0 308.290 1.047 50 5 DDBARN COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+](=O)[O-] ZINC000005111631 181204898 /nfs/dbraw/zinc/20/48/98/181204898.db2.gz FWHDLLWTESTDBL-UHFFFAOYSA-N 0 0 320.309 1.123 50 5 DDBARN O=C(NCc1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005251406 181221807 /nfs/dbraw/zinc/22/18/07/181221807.db2.gz RHNCYIDXBZYIAO-UHFFFAOYSA-N 0 0 305.315 1.911 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1C[C@@H]1C ZINC000006641737 181364031 /nfs/dbraw/zinc/36/40/31/181364031.db2.gz JUXJDAGQBDFDSO-WPRPVWTQSA-N 0 0 308.290 1.741 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C(N)=O)CC1 ZINC000024166474 182375501 /nfs/dbraw/zinc/37/55/01/182375501.db2.gz PVXOUWPCAYZBHR-UHFFFAOYSA-N 0 0 320.349 1.039 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@H]1CCCO1 ZINC000024432925 182380745 /nfs/dbraw/zinc/38/07/45/182380745.db2.gz SFDNKTIREHDYIY-SNVBAGLBSA-N 0 0 300.336 1.442 50 5 DDBARN Cc1ccc(OCc2nc(N)nc(N(C)C)n2)c([N+](=O)[O-])c1 ZINC000025042624 182399595 /nfs/dbraw/zinc/39/95/95/182399595.db2.gz KADZBCDKUOMDII-UHFFFAOYSA-N 0 0 304.310 1.315 50 5 DDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nccc1[N+](=O)[O-] ZINC000040554070 183101071 /nfs/dbraw/zinc/10/10/71/183101071.db2.gz OPLKKHXFADKGIS-UHFFFAOYSA-N 0 0 321.249 1.347 50 5 DDBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC[C@H]1CCCO1 ZINC000000196111 406628694 /nfs/dbraw/zinc/62/86/94/406628694.db2.gz RJWUAOJSWRXVTM-MRVPVSSYSA-N 0 0 302.718 1.048 50 5 DDBARN COC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000001069104 406662745 /nfs/dbraw/zinc/66/27/45/406662745.db2.gz QLKGESWLEQCVSR-UHFFFAOYSA-N 0 0 304.262 1.217 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCCO1 ZINC000007033681 406747437 /nfs/dbraw/zinc/74/74/37/406747437.db2.gz RNOOLSDGRLBKFU-LLVKDONJSA-N 0 0 308.290 1.564 50 5 DDBARN Cc1c(Cn2cnc3c(c2=O)CCCN3)cccc1[N+](=O)[O-] ZINC000069742313 406765842 /nfs/dbraw/zinc/76/58/42/406765842.db2.gz GXBJVQIBCSQJEQ-UHFFFAOYSA-N 0 0 300.318 1.866 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccncc1 ZINC000004623162 406727148 /nfs/dbraw/zinc/72/71/48/406727148.db2.gz VHRKZDRZFLGQHF-UHFFFAOYSA-N 0 0 307.331 1.511 50 5 DDBARN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008703852 406793917 /nfs/dbraw/zinc/79/39/17/406793917.db2.gz HLEJPVVNYYNCAR-GFCCVEGCSA-N 0 0 306.322 1.679 50 5 DDBARN O=C(CSc1nccc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009427151 406809739 /nfs/dbraw/zinc/80/97/39/406809739.db2.gz UQFPETJMPMWTFQ-UHFFFAOYSA-N 0 0 306.303 1.409 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccncc1 ZINC000010327911 406820865 /nfs/dbraw/zinc/82/08/65/406820865.db2.gz ZIFSMWPHTIYVLV-UHFFFAOYSA-N 0 0 314.301 1.553 50 5 DDBARN CC12CN3CC(C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2=O ZINC000019312815 406885280 /nfs/dbraw/zinc/88/52/80/406885280.db2.gz RUDWIIFBULKGGN-UHFFFAOYSA-N 0 0 301.346 1.820 50 5 DDBARN Cc1nn(C(=O)CCCn2cc([N+](=O)[O-])cn2)c(C)c1[N+](=O)[O-] ZINC000012372154 406843178 /nfs/dbraw/zinc/84/31/78/406843178.db2.gz GFGXYKNMPXKYQS-UHFFFAOYSA-N 0 0 322.281 1.633 50 5 DDBARN Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000028326836 406917085 /nfs/dbraw/zinc/91/70/85/406917085.db2.gz FSHYQCVUNFDGGQ-MFKMUULPSA-N 0 0 314.363 1.749 50 5 DDBARN Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)no1 ZINC000078251582 407022029 /nfs/dbraw/zinc/02/20/29/407022029.db2.gz CKPVWXLERUHEAO-UHFFFAOYSA-N 0 0 318.337 1.312 50 5 DDBARN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2ccccn2)cc1 ZINC000045796988 407049561 /nfs/dbraw/zinc/04/95/61/407049561.db2.gz AWSLCGACFGJAAA-UHFFFAOYSA-N 0 0 321.358 1.652 50 5 DDBARN Cc1nn(C)c(N(C)C[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000047331249 407072615 /nfs/dbraw/zinc/07/26/15/407072615.db2.gz LIFLFLMJJVMPED-LLVKDONJSA-N 0 0 318.333 1.913 50 5 DDBARN CCO[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1(C)C ZINC000096419327 407263242 /nfs/dbraw/zinc/26/32/42/407263242.db2.gz ARFVLWKFXNYFHO-VHSXEESVSA-N 0 0 310.354 1.902 50 5 DDBARN NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000097146891 407282862 /nfs/dbraw/zinc/28/28/62/407282862.db2.gz VYDRXEDZSZRUJP-NSHDSACASA-N 0 0 307.237 1.283 50 5 DDBARN Nc1nc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000170594332 407446809 /nfs/dbraw/zinc/44/68/09/407446809.db2.gz DADBRCWNHVSPHP-CMPLNLGQSA-N 0 0 316.292 1.997 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1COc2ccccc2C1 ZINC000191675618 408470270 /nfs/dbraw/zinc/47/02/70/408470270.db2.gz TWSMEKMLFBJDNG-SNVBAGLBSA-N 0 0 302.290 1.518 50 5 DDBARN [NH3+]Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000170091481 408820190 /nfs/dbraw/zinc/82/01/90/408820190.db2.gz HPOUSKMZTJUWQH-UHFFFAOYSA-N 0 0 307.331 1.854 50 5 DDBARN O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000045059889 418435761 /nfs/dbraw/zinc/43/57/61/418435761.db2.gz KQKZRSYGBGNFBK-KBPBESRZSA-N 0 0 318.329 1.479 50 5 DDBARN CCOC(=O)c1ccc2ncc3c(=O)nc(N)sc3c2c1 ZINC000034925912 276445199 /nfs/dbraw/zinc/44/51/99/276445199.db2.gz MJJYNENEOJDMDQ-UHFFFAOYSA-N 0 0 301.327 1.964 50 5 DDBARN C[C@H]1C[C@@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000097046797 279977084 /nfs/dbraw/zinc/97/70/84/279977084.db2.gz XVLPQELVSYBDCM-AAEUAGOBSA-N 0 0 319.361 1.392 50 5 DDBARN CN1CCN(c2ccc(C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000008726350 290057389 /nfs/dbraw/zinc/05/73/89/290057389.db2.gz NRDUWIAGZYGTRD-UHFFFAOYSA-N 0 0 318.377 1.583 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000073032732 191270803 /nfs/dbraw/zinc/27/08/03/191270803.db2.gz YWGDTDSOHPHFAQ-OAHLLOKOSA-N 0 0 300.314 1.987 50 5 DDBARN Cn1cc(N2CCC[C@H](Nc3ccncc3[N+](=O)[O-])C2)cn1 ZINC000076063572 353396581 /nfs/dbraw/zinc/39/65/81/353396581.db2.gz UUBKVBQSJRNRNJ-NSHDSACASA-N 0 0 302.338 1.804 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCCNC1=O ZINC000080598403 353616560 /nfs/dbraw/zinc/61/65/60/353616560.db2.gz MZXVCDBXCAQJPK-LBPRGKRZSA-N 0 0 320.349 1.105 50 5 DDBARN O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1Cc1ccccc1 ZINC000004141961 181078671 /nfs/dbraw/zinc/07/86/71/181078671.db2.gz AYFDJVUCZAHQPT-UHFFFAOYSA-N 0 0 318.310 1.940 50 5 DDBARN CC[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004563936 181124510 /nfs/dbraw/zinc/12/45/10/181124510.db2.gz DQECTPNDJKLPOV-VIFPVBQESA-N 0 0 304.306 1.219 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1ccccc1 ZINC000006120293 181314203 /nfs/dbraw/zinc/31/42/03/181314203.db2.gz HMFAAGIPHQPUQL-UHFFFAOYSA-N 0 0 301.302 1.115 50 5 DDBARN Cc1cc(S(=O)(=O)N(C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000096421256 193632391 /nfs/dbraw/zinc/63/23/91/193632391.db2.gz IOQNORWZFFBFCP-UHFFFAOYSA-N 0 0 310.335 1.462 50 5 DDBARN O=[N+]([O-])c1c[nH]nc1N1CCN(Cc2ccc(F)cc2)CC1 ZINC000022239094 182315316 /nfs/dbraw/zinc/31/53/16/182315316.db2.gz FZUROSGPPMCZHH-UHFFFAOYSA-N 0 0 305.313 1.779 50 5 DDBARN CN(C)c1nc(N)nc(COc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000023105374 182347619 /nfs/dbraw/zinc/34/76/19/182347619.db2.gz HYABBKBBXSNKOS-UHFFFAOYSA-N 0 0 324.728 1.660 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(O)CC1 ZINC000023993142 182371630 /nfs/dbraw/zinc/37/16/30/182371630.db2.gz TYSQXQHWSPIFSZ-SNVBAGLBSA-N 0 0 323.349 1.387 50 5 DDBARN CC[C@@H]1CN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000029153414 182554257 /nfs/dbraw/zinc/55/42/57/182554257.db2.gz SXJRFVMPBZBNQD-GFCCVEGCSA-N 0 0 307.350 1.912 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(=O)N1CCCC1 ZINC000040525438 183091899 /nfs/dbraw/zinc/09/18/99/183091899.db2.gz ZPGSJMRVKMVYQB-UHFFFAOYSA-N 0 0 306.322 1.647 50 5 DDBARN COc1cccc(S(=O)(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000069420582 184513958 /nfs/dbraw/zinc/51/39/58/184513958.db2.gz WIADBXAJRMVNDK-UHFFFAOYSA-N 0 0 311.319 1.274 50 5 DDBARN COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(OC)c1 ZINC000000061445 406618279 /nfs/dbraw/zinc/61/82/79/406618279.db2.gz OSEQRNXHDDCDSS-UHFFFAOYSA-N 0 0 306.278 1.447 50 5 DDBARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000000184162 406627943 /nfs/dbraw/zinc/62/79/43/406627943.db2.gz QSJALDLSEXKQOW-NSHDSACASA-N 0 0 308.319 1.596 50 5 DDBARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC ZINC000000238095 406634183 /nfs/dbraw/zinc/63/41/83/406634183.db2.gz DIUHRZFDPWMVKL-GFCCVEGCSA-N 0 0 307.306 1.956 50 5 DDBARN O=C(NC(=S)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000000459199 406651167 /nfs/dbraw/zinc/65/11/67/406651167.db2.gz GGZJKPRSUJGBQG-NSHDSACASA-N 0 0 309.347 1.378 50 5 DDBARN COCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000002710669 406697212 /nfs/dbraw/zinc/69/72/12/406697212.db2.gz NUYTYSHVOYKTIL-UHFFFAOYSA-N 0 0 306.274 1.468 50 5 DDBARN C[S@](=O)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000069631305 406749028 /nfs/dbraw/zinc/74/90/28/406749028.db2.gz DTUFTYHRVQPIJU-LJQANCHMSA-N 0 0 302.377 1.182 50 5 DDBARN CN(Cc1nnc2n1CCC2)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000011120785 406825679 /nfs/dbraw/zinc/82/56/79/406825679.db2.gz 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ZINC000077524966 483961029 /nfs/dbraw/zinc/96/10/29/483961029.db2.gz QLTKHHLFJBHGPJ-UHFFFAOYSA-N 0 0 315.333 1.947 50 5 DDBARN O=[N+]([O-])c1ccc(OC[C@H](O)CNc2ncccc2F)cc1 ZINC000084484907 483996033 /nfs/dbraw/zinc/99/60/33/483996033.db2.gz VVVVYOUFEVJYBE-LLVKDONJSA-N 0 0 307.281 1.981 50 5 DDBARN CC[C@H](C)[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O ZINC000084721406 484000158 /nfs/dbraw/zinc/00/01/58/484000158.db2.gz LBQBHKQALAQANF-UFBFGSQYSA-N 0 0 308.338 1.266 50 5 DDBARN O=C(Cc1noc([C@H]2CC2[N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000095394460 185352316 /nfs/dbraw/zinc/35/23/16/185352316.db2.gz LCWAXCFLHYXSJT-VHSXEESVSA-N 0 0 306.253 1.523 50 5 DDBARN C[C@H]([C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000170617922 197792466 /nfs/dbraw/zinc/79/24/66/197792466.db2.gz QKFKHKQLULSSFQ-NXEZZACHSA-N 0 0 314.363 1.280 50 5 DDBARN COC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000000455805 180796594 /nfs/dbraw/zinc/79/65/94/180796594.db2.gz XLBRNCDMOOIALA-UHFFFAOYSA-N 0 0 306.318 1.928 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](Cn1cccn1)C(C)(C)C ZINC000002782606 180956727 /nfs/dbraw/zinc/95/67/27/180956727.db2.gz NHCGWUDGAANIOI-NSHDSACASA-N 0 0 320.353 1.370 50 5 DDBARN COc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1OC ZINC000002798772 180959495 /nfs/dbraw/zinc/95/94/95/180959495.db2.gz QHBPMCXZYQPLIV-UHFFFAOYSA-N 0 0 320.305 1.239 50 5 DDBARN Cc1c(NC(=O)COC(=O)C2=COCCO2)cccc1[N+](=O)[O-] ZINC000003468073 181024242 /nfs/dbraw/zinc/02/42/42/181024242.db2.gz YNDQYEDGSJHUJO-UHFFFAOYSA-N 0 0 322.273 1.273 50 5 DDBARN CS(=O)(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004142193 181078414 /nfs/dbraw/zinc/07/84/14/181078414.db2.gz BBAGHXUQVHCXRS-UHFFFAOYSA-N 0 0 307.759 1.599 50 5 DDBARN O=C(COC(=O)c1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000004576470 181126188 /nfs/dbraw/zinc/12/61/88/181126188.db2.gz VSJBRINBPRKHEN-UHFFFAOYSA-N 0 0 302.242 1.323 50 5 DDBARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000004976601 181182898 /nfs/dbraw/zinc/18/28/98/181182898.db2.gz PMCHYTXWHGGJJI-UHFFFAOYSA-N 0 0 324.300 1.887 50 5 DDBARN CCn1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000188558801 200266017 /nfs/dbraw/zinc/26/60/17/200266017.db2.gz BJXGHAWYJMMCBC-UHFFFAOYSA-N 0 0 316.317 1.715 50 5 DDBARN CCOC(=O)C1CCC(O)(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000191737262 200754890 /nfs/dbraw/zinc/75/48/90/200754890.db2.gz HLYJGMZXIKQQKQ-UHFFFAOYSA-N 0 0 311.338 1.584 50 5 DDBARN O=c1c([N+](=O)[O-])cc([N+](=O)[O-])cn1Cc1cccc([N+](=O)[O-])c1 ZINC000261491873 203071407 /nfs/dbraw/zinc/07/14/07/203071407.db2.gz CTYBECXQFXVILM-UHFFFAOYSA-N 0 0 320.217 1.621 50 5 DDBARN O=c1onc(-c2cccs2)n1CCn1ccc([N+](=O)[O-])n1 ZINC000095990839 193481955 /nfs/dbraw/zinc/48/19/55/193481955.db2.gz HQQAZUAZRIKJRR-UHFFFAOYSA-N 0 0 307.291 1.370 50 5 DDBARN CC[C@H](C)NS(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000014020624 181920695 /nfs/dbraw/zinc/92/06/95/181920695.db2.gz VMSJMRSEZZWENF-QMMMGPOBSA-N 0 0 304.372 1.126 50 5 DDBARN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000014220968 181939280 /nfs/dbraw/zinc/93/92/80/181939280.db2.gz GYBUPFVMQKOAME-ONGXEEELSA-N 0 0 300.336 1.441 50 5 DDBARN CN(Cc1ccccc1F)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000019025707 182103678 /nfs/dbraw/zinc/10/36/78/182103678.db2.gz FINVVNAHWWNJCH-UHFFFAOYSA-N 0 0 319.292 1.554 50 5 DDBARN COC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000024723692 182388711 /nfs/dbraw/zinc/38/87/11/182388711.db2.gz GVZFMKUBQVOUIY-LBPRGKRZSA-N 0 0 308.334 1.841 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2cccc(O)c2)CC1 ZINC000060377998 184147560 /nfs/dbraw/zinc/14/75/60/184147560.db2.gz CELPVZORUULYSG-UHFFFAOYSA-N 0 0 317.349 1.356 50 5 DDBARN C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000069061924 406676502 /nfs/dbraw/zinc/67/65/02/406676502.db2.gz JMNBRPFGUIUVEQ-FZMZJTMJSA-N 0 0 323.349 1.840 50 5 DDBARN CCN(Cc1nonc1C)C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000002785931 406701165 /nfs/dbraw/zinc/70/11/65/406701165.db2.gz DYYCTPBCJUYUBL-VIFPVBQESA-N 0 0 308.298 1.092 50 5 DDBARN COc1cc(NS(=O)(=O)c2ccc(N)cc2)cc([N+](=O)[O-])c1 ZINC000000345475 406642991 /nfs/dbraw/zinc/64/29/91/406642991.db2.gz MKFACWWVGVKSNC-UHFFFAOYSA-N 0 0 323.330 1.986 50 5 DDBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCO1 ZINC000003234719 406713945 /nfs/dbraw/zinc/71/39/45/406713945.db2.gz IVPQEOYPUORHTG-GFCCVEGCSA-N 0 0 308.290 1.047 50 5 DDBARN Cc1nc(N2CCOCC2)nc(N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000004170765 406722467 /nfs/dbraw/zinc/72/24/67/406722467.db2.gz XWUQCZBIVMKEQO-NSHDSACASA-N 0 0 321.381 1.909 50 5 DDBARN O=C1CCCN1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000008308667 406783341 /nfs/dbraw/zinc/78/33/41/406783341.db2.gz KCLOMWKQYGXYJT-UHFFFAOYSA-N 0 0 309.351 1.728 50 5 DDBARN CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O ZINC000012137710 406835974 /nfs/dbraw/zinc/83/59/74/406835974.db2.gz BMQWHLVQDSMGTJ-UVTDQMKNSA-N 0 0 305.334 1.940 50 5 DDBARN COc1ccccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000012649303 406849255 /nfs/dbraw/zinc/84/92/55/406849255.db2.gz QTEHBCKRJVZBLZ-UHFFFAOYSA-N 0 0 310.697 1.910 50 5 DDBARN O=C(NCc1ccncc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013208454 406859107 /nfs/dbraw/zinc/85/91/07/406859107.db2.gz UINIMUPULFKCCM-UHFFFAOYSA-N 0 0 302.246 1.828 50 5 DDBARN Cc1noc(C)c1CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029585920 406924789 /nfs/dbraw/zinc/92/47/89/406924789.db2.gz MNFGDHBYDNFQDE-UHFFFAOYSA-N 0 0 320.353 1.255 50 5 DDBARN COc1ncccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000030307467 406931675 /nfs/dbraw/zinc/93/16/75/406931675.db2.gz BWJUBXOYPNDULU-UHFFFAOYSA-N 0 0 301.302 1.857 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nnc(-c2ccco2)o1 ZINC000089799886 407150326 /nfs/dbraw/zinc/15/03/26/407150326.db2.gz CYKRACUZRPTXHC-UHFFFAOYSA-N 0 0 304.222 1.073 50 5 DDBARN CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000095458794 407214380 /nfs/dbraw/zinc/21/43/80/407214380.db2.gz TXBLXBYMHHTPSM-UHFFFAOYSA-N 0 0 320.349 1.813 50 5 DDBARN C[C@H](CN(C)C(=O)c1c([N+](=O)[O-])cnn1C)c1nccs1 ZINC000097108155 407280164 /nfs/dbraw/zinc/28/01/64/407280164.db2.gz FZKVYNNDLMDWDA-MRVPVSSYSA-N 0 0 309.351 1.661 50 5 DDBARN COc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1[O-] ZINC000097162648 407283835 /nfs/dbraw/zinc/28/38/35/407283835.db2.gz QBSXFIDYHQASER-CMPLNLGQSA-N 0 0 309.366 1.868 50 5 DDBARN NC(=O)CN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227648673 407634763 /nfs/dbraw/zinc/63/47/63/407634763.db2.gz JDDWLTXUJMZDHF-UHFFFAOYSA-N 0 0 313.745 1.005 50 5 DDBARN CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000047249826 418454541 /nfs/dbraw/zinc/45/45/41/418454541.db2.gz MCRXUZBZRJSKCR-RYUDHWBXSA-N 0 0 305.334 1.819 50 5 DDBARN CCC1(CC)[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)[C@H]1OC ZINC000245316765 222214338 /nfs/dbraw/zinc/21/43/38/222214338.db2.gz KORSNSKHDNNRBF-OASPWFOLSA-N 0 0 324.381 1.898 50 5 DDBARN CNS(=O)(=O)c1ccc(Sc2ncco2)c([N+](=O)[O-])c1 ZINC000408514850 418806302 /nfs/dbraw/zinc/80/63/02/418806302.db2.gz KBNCDIAOEHSASJ-UHFFFAOYSA-N 0 0 315.332 1.642 50 5 DDBARN Cc1nc(N2CCOCC2)nc(N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000004170763 279091883 /nfs/dbraw/zinc/09/18/83/279091883.db2.gz ZEPACJNGJQFXLN-UHFFFAOYSA-N 0 0 321.381 1.766 50 5 DDBARN CCOC[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000328597058 528936209 /nfs/dbraw/zinc/93/62/09/528936209.db2.gz CZIPJCRLRGKVCK-BXUZGUMPSA-N 0 0 308.334 1.513 50 5 DDBARN Cc1nn(C)cc1C(=O)NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015636525 696058047 /nfs/dbraw/zinc/05/80/47/696058047.db2.gz GBJMZKYMZHGVHL-UHFFFAOYSA-N 0 0 303.278 1.599 50 5 DDBARN COC(=O)/C=C(/C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000857760968 704621385 /nfs/dbraw/zinc/62/13/85/704621385.db2.gz DYKNCOVMMBWJDZ-UTCJRWHESA-N 0 0 304.100 1.673 50 5 DDBARN CNS(=O)(=O)c1ccc(N[C@H](C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC000585088407 771937972 /nfs/dbraw/zinc/93/79/72/771937972.db2.gz GMPJKHJIGWVPKN-SSDOTTSWSA-N 0 0 323.321 1.959 50 5 DDBARN Cc1nc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)no1 ZINC000095438567 185365658 /nfs/dbraw/zinc/36/56/58/185365658.db2.gz JNQVRTKIUKJNPY-UHFFFAOYSA-N 0 0 303.234 1.151 50 5 DDBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1nccn1C ZINC000095468487 185372438 /nfs/dbraw/zinc/37/24/38/185372438.db2.gz COJGFIADYDAWJF-LLVKDONJSA-N 0 0 317.349 1.787 50 5 DDBARN CS(=O)(=O)CCSc1nc2ccccn2c1[N+](=O)[O-] ZINC000069738177 190809095 /nfs/dbraw/zinc/80/90/95/190809095.db2.gz POLRVHYDSXDJRO-UHFFFAOYSA-N 0 0 301.349 1.379 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000000298044 352108852 /nfs/dbraw/zinc/10/88/52/352108852.db2.gz WGQIDENZQJCDIA-FJJYHAOUSA-N 0 0 300.270 1.428 50 5 DDBARN Cc1cnc(NCCS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000172807816 198151824 /nfs/dbraw/zinc/15/18/24/198151824.db2.gz PFZGFAYQDUPZPG-UHFFFAOYSA-N 0 0 302.356 1.038 50 5 DDBARN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000374991 180770515 /nfs/dbraw/zinc/77/05/15/180770515.db2.gz LPFTVCCUASWHQD-UHFFFAOYSA-N 0 0 315.123 1.830 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccccc12 ZINC000001432170 180866512 /nfs/dbraw/zinc/86/65/12/180866512.db2.gz YQEWIPUSZKIUCD-UHFFFAOYSA-N 0 0 313.317 1.632 50 5 DDBARN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 ZINC000080230110 353597394 /nfs/dbraw/zinc/59/73/94/353597394.db2.gz VQMTUUNYEMEMPY-NSHDSACASA-N 0 0 317.349 1.801 50 5 DDBARN O=C(CNC(=O)c1ccco1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003337150 181007641 /nfs/dbraw/zinc/00/76/41/181007641.db2.gz CQIDPXOUBQMJSE-UHFFFAOYSA-N 0 0 307.237 1.695 50 5 DDBARN CC(C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003340362 181008302 /nfs/dbraw/zinc/00/83/02/181008302.db2.gz PXORESJFSHYCBH-UHFFFAOYSA-N 0 0 307.350 1.877 50 5 DDBARN O=C([O-])[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000003890087 181052761 /nfs/dbraw/zinc/05/27/61/181052761.db2.gz DLDZOGIUOZNIEE-ZDUSSCGKSA-N 0 0 321.333 1.863 50 5 DDBARN CO[C@]1(C)C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000073267423 191298088 /nfs/dbraw/zinc/29/80/88/191298088.db2.gz HTZYREMUUNSCIO-BXUZGUMPSA-N 0 0 310.354 1.501 50 5 DDBARN Nc1nc(N2CCCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000005099683 181203228 /nfs/dbraw/zinc/20/32/28/181203228.db2.gz MWZVOPRBIUGWRQ-SECBINFHSA-N 0 0 308.342 1.158 50 5 DDBARN C[C@@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000006120201 181313851 /nfs/dbraw/zinc/31/38/51/181313851.db2.gz MPQYKYFTJHPPKZ-NQBHXWOUSA-N 0 0 307.350 1.697 50 5 DDBARN CN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193691356 201104876 /nfs/dbraw/zinc/10/48/76/201104876.db2.gz WDTSQQAHWSIVAL-UHFFFAOYSA-N 0 0 324.724 1.960 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000375954 294543989 /nfs/dbraw/zinc/54/39/89/294543989.db2.gz FAWDUQDQYPBANU-UHFFFAOYSA-N 0 0 304.350 1.883 50 5 DDBARN Cc1ccnc2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nn21 ZINC000012825384 181802024 /nfs/dbraw/zinc/80/20/24/181802024.db2.gz LERFNYJYSYFKDW-UHFFFAOYSA-N 0 0 316.252 1.732 50 5 DDBARN CC12CN3CC(C)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2O ZINC000019320069 182115258 /nfs/dbraw/zinc/11/52/58/182115258.db2.gz UQAIUZXLZWUECI-UHFFFAOYSA-N 0 0 303.362 1.612 50 5 DDBARN O=[N+]([O-])c1cccc(C(O)=CC2(C(F)(F)F)NCCN2)c1 ZINC000019323883 182115935 /nfs/dbraw/zinc/11/59/35/182115935.db2.gz KPJLSLWUJGSAKU-UHFFFAOYSA-N 0 0 303.240 1.619 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCCOc1cccc(Cl)c1 ZINC000047023325 183578959 /nfs/dbraw/zinc/57/89/59/183578959.db2.gz DHJIFOZBJJXNGU-UHFFFAOYSA-N 0 0 324.724 1.640 50 5 DDBARN COc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000058424355 184116216 /nfs/dbraw/zinc/11/62/16/184116216.db2.gz LCWDAVJEVJXZMP-ZYHUDNBSSA-N 0 0 319.317 1.426 50 5 DDBARN CCN1CC2=C(C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2C ZINC000057531492 285183717 /nfs/dbraw/zinc/18/37/17/285183717.db2.gz SPHIOXOEONABGO-ZDUSSCGKSA-N 0 0 316.317 1.407 50 5 DDBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCOCC1 ZINC000002623775 257267010 /nfs/dbraw/zinc/26/70/10/257267010.db2.gz VZUPIYJZIMKEEN-ZZXKWVIFSA-N 0 0 320.301 1.010 50 5 DDBARN O=C(NCCO)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000058264318 134793574 /nfs/dbraw/zinc/79/35/74/134793574.db2.gz JWVUGHSTVRFUGO-UHFFFAOYSA-N 0 0 311.313 1.059 50 5 DDBARN O=C(NC(=S)NCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000000083817 406620769 /nfs/dbraw/zinc/62/07/69/406620769.db2.gz HNNNQTMVOODZJF-UHFFFAOYSA-N 0 0 316.342 1.794 50 5 DDBARN COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Cl)c1O ZINC000000085965 406620841 /nfs/dbraw/zinc/62/08/41/406620841.db2.gz RTXKQSOCNPKWMF-KWQFWETISA-N 0 0 300.698 1.651 50 5 DDBARN COc1cc(/C=C/C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000164034 406625801 /nfs/dbraw/zinc/62/58/01/406625801.db2.gz CDZKSZGLNIFIGM-ONEGZZNKSA-N 0 0 322.317 1.484 50 5 DDBARN O=C(NC(=S)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000000226889 406634358 /nfs/dbraw/zinc/63/43/58/406634358.db2.gz SBCPQFXBUXBFBA-UHFFFAOYSA-N 0 0 316.342 1.794 50 5 DDBARN CCn1nnc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000000558336 406655734 /nfs/dbraw/zinc/65/57/34/406655734.db2.gz 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Nc1nc(N2CCOC[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000096453877 303503682 /nfs/dbraw/zinc/50/36/82/303503682.db2.gz CZQIPJIALILUBI-LBPRGKRZSA-N 0 0 301.306 1.545 50 5 DDBARN COCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000084093441 483989862 /nfs/dbraw/zinc/98/98/62/483989862.db2.gz KHGJFZRJMUFJCM-UHFFFAOYSA-N 0 0 307.350 1.953 50 5 DDBARN CCOC(=O)[C@H](C(=O)OC(C)(C)C)c1ccncc1[N+](=O)[O-] ZINC000095829590 185384044 /nfs/dbraw/zinc/38/40/44/185384044.db2.gz DYROSYKMPSCHIP-LLVKDONJSA-N 0 0 310.306 1.978 50 5 DDBARN COC(=O)CN(C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000095458360 185370520 /nfs/dbraw/zinc/37/05/20/185370520.db2.gz IWRDHUSFBYHNAZ-UHFFFAOYSA-N 0 0 301.730 1.765 50 5 DDBARN CO[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000170603476 197786138 /nfs/dbraw/zinc/78/61/38/197786138.db2.gz CCZXTRATEUKDFX-SMDDNHRTSA-N 0 0 308.334 1.857 50 5 DDBARN NC(=O)[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000170606544 197787854 /nfs/dbraw/zinc/78/78/54/197787854.db2.gz 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C[NH+]1CCN(Cc2cc([N+](=O)[O-])c([O-])c3ncccc23)CC1 ZINC000019973425 182172092 /nfs/dbraw/zinc/17/20/92/182172092.db2.gz XINYXKZURGSBSY-UHFFFAOYSA-N 0 0 302.334 1.596 50 5 DDBARN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc(F)cc2)no1 ZINC000024415708 182379866 /nfs/dbraw/zinc/37/98/66/182379866.db2.gz RLVCODKYERULIF-UHFFFAOYSA-N 0 0 316.248 1.994 50 5 DDBARN CC(=O)N1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000036393893 182824107 /nfs/dbraw/zinc/82/41/07/182824107.db2.gz RWEUAUZLABEZLM-UHFFFAOYSA-N 0 0 309.351 1.727 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCc2ccccc21 ZINC000065721180 184377399 /nfs/dbraw/zinc/37/73/99/184377399.db2.gz OOPCQRLQUGUJTC-ZDUSSCGKSA-N 0 0 300.318 1.903 50 5 DDBARN COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c(OC)c1 ZINC000065713420 184377433 /nfs/dbraw/zinc/37/74/33/184377433.db2.gz FOFVMUVPFQNMDV-UHFFFAOYSA-N 0 0 320.305 1.756 50 5 DDBARN CON(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069491875 184519791 /nfs/dbraw/zinc/51/97/91/184519791.db2.gz 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NC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000097109106 407280930 /nfs/dbraw/zinc/28/09/30/407280930.db2.gz DCXLDIAYNYIAHX-UHFFFAOYSA-N 0 0 316.269 1.756 50 5 DDBARN Cc1ccc(C)c(S(=O)(=O)NCCn2ccnc2)c1[N+](=O)[O-] ZINC000195579886 407470886 /nfs/dbraw/zinc/47/08/86/407470886.db2.gz OXUNMLNEDPMBJP-UHFFFAOYSA-N 0 0 324.362 1.387 50 5 DDBARN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1noc(C)n1 ZINC000170605116 407450670 /nfs/dbraw/zinc/45/06/70/407450670.db2.gz FLUURIKHULWEJO-LLVKDONJSA-N 0 0 305.294 1.750 50 5 DDBARN CCn1nc(C)c([N+](=O)[O-])c1NCC(=O)NCc1ccco1 ZINC000225454955 407588096 /nfs/dbraw/zinc/58/80/96/407588096.db2.gz QIZHDCOAFOMTPO-UHFFFAOYSA-N 0 0 307.310 1.441 50 5 DDBARN O=c1c2cnc3ncnn3c2ccn1-c1cccc([N+](=O)[O-])c1 ZINC000019959092 275043420 /nfs/dbraw/zinc/04/34/20/275043420.db2.gz IFSQWUVGSSKODX-UHFFFAOYSA-N 0 0 308.257 1.337 50 5 DDBARN COC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000002565705 277423071 /nfs/dbraw/zinc/42/30/71/277423071.db2.gz GHZUTMKPZFZYSP-UHFFFAOYSA-N 0 0 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GGBKOFYJKDSBFL-UHFFFAOYSA-N 0 0 304.309 1.931 50 5 DDBARN COc1ccc(S(=O)(=O)NCc2ccccn2)cc1[N+](=O)[O-] ZINC000007736593 406767878 /nfs/dbraw/zinc/76/78/78/406767878.db2.gz VDUZKNJQRLVMBV-UHFFFAOYSA-N 0 0 323.330 1.477 50 5 DDBARN CC[C@@H](C)[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000071920881 406868265 /nfs/dbraw/zinc/86/82/65/406868265.db2.gz WKRQDHAEICEHBO-NXEZZACHSA-N 0 0 306.322 1.422 50 5 DDBARN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000073921696 406897248 /nfs/dbraw/zinc/89/72/48/406897248.db2.gz OKFOUKCEQQDHON-LLVKDONJSA-N 0 0 322.214 1.873 50 5 DDBARN O=C([C@H]1CC=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000033111085 406959894 /nfs/dbraw/zinc/95/98/94/406959894.db2.gz LAGLHDODHNKXHN-ZDUSSCGKSA-N 0 0 316.361 1.995 50 5 DDBARN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000079015769 407048835 /nfs/dbraw/zinc/04/88/35/407048835.db2.gz YBUYBZBLTOFTIJ-CHWSQXEVSA-N 0 0 305.334 1.298 50 5 DDBARN O=C(C1CCOCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000058394154 407220999 /nfs/dbraw/zinc/22/09/99/407220999.db2.gz BSQBFFSJLYHZNG-UHFFFAOYSA-N 0 0 319.361 1.670 50 5 DDBARN CCNS(=O)(=O)[C@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000252492617 408798203 /nfs/dbraw/zinc/79/82/03/408798203.db2.gz MQOBBALIDXRKJY-JTQLQIEISA-N 0 0 317.342 1.252 50 5 DDBARN CNc1ncnc2c1N[C@@H](NN)c1cc([N+](=O)[O-])ccc1S2 ZINC000019171935 277305934 /nfs/dbraw/zinc/30/59/34/277305934.db2.gz VWWDZENIGYTKFU-JTQLQIEISA-N 0 0 319.350 1.465 50 5 DDBARN C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1 ZINC000005137705 278485685 /nfs/dbraw/zinc/48/56/85/278485685.db2.gz JTXNMEKUNHASBL-SNVBAGLBSA-N 0 0 306.370 1.804 50 5 DDBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000012402543 280175692 /nfs/dbraw/zinc/17/56/92/280175692.db2.gz KSFCXQHZDYXHJQ-BHTHQVBYSA-N 0 0 314.297 1.818 50 5 DDBARN C[C@@H]1CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000013779219 288274092 /nfs/dbraw/zinc/27/40/92/288274092.db2.gz ROFDMZPDAYZMNC-AOOOYVTPSA-N 0 0 322.369 1.181 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000239309406 297928801 /nfs/dbraw/zinc/92/88/01/297928801.db2.gz HOTHFYFSLVLRHY-FJJYHAOUSA-N 0 0 300.270 1.428 50 5 DDBARN Cc1c(NC(=O)N[C@@H]2C(=O)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000585119469 771953681 /nfs/dbraw/zinc/95/36/81/771953681.db2.gz IOKACZTUQCMLLJ-LLVKDONJSA-N 0 0 307.306 1.976 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCn1cccc1 ZINC000084433608 192430092 /nfs/dbraw/zinc/43/00/92/192430092.db2.gz DCOOCMUSDRZLKO-UHFFFAOYSA-N 0 0 302.334 1.938 50 5 DDBARN COc1cc(C(=O)O[C@@H]2CCOC2=O)c([N+](=O)[O-])cc1OC ZINC000003449708 181021415 /nfs/dbraw/zinc/02/14/15/181021415.db2.gz DMAZIASIJDJDRZ-SECBINFHSA-N 0 0 311.246 1.084 50 5 DDBARN Nc1nc(NCCO)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000005119647 181205672 /nfs/dbraw/zinc/20/56/72/181205672.db2.gz LYHBPPFKWJXPEP-UHFFFAOYSA-N 0 0 308.273 1.254 50 5 DDBARN CC(C)(C)N1OC[C@@H]2CO[C@](O)(c3ccc([N+](=O)[O-])cc3)[C@H]21 ZINC000005284024 181226524 /nfs/dbraw/zinc/22/65/24/181226524.db2.gz SMEISUOGAMZPQO-VZJVUDMVSA-N 0 0 308.334 1.801 50 5 DDBARN NC(=O)c1cn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 ZINC000090092005 283388125 /nfs/dbraw/zinc/38/81/25/283388125.db2.gz JCYODPVVYCMHLM-UHFFFAOYSA-N 0 0 309.285 1.941 50 5 DDBARN Cn1nccc1N1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000241657592 202467984 /nfs/dbraw/zinc/46/79/84/202467984.db2.gz PXNLBPBWAHSUIB-SECBINFHSA-N 0 0 308.367 1.866 50 5 DDBARN O=C(Nc1nccc(-c2ccco2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000006414077 181339069 /nfs/dbraw/zinc/33/90/69/181339069.db2.gz BJBWZSPGGDBMHS-UHFFFAOYSA-N 0 0 300.234 1.620 50 5 DDBARN CCn1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000006637458 181363300 /nfs/dbraw/zinc/36/33/00/181363300.db2.gz OPDDLOPPNHDZSK-JTQLQIEISA-N 0 0 324.362 1.851 50 5 DDBARN COC[C@H](C)NC(=O)CN1CCCc2c([N+](=O)[O-])cccc21 ZINC000094005741 193338786 /nfs/dbraw/zinc/33/87/86/193338786.db2.gz SLCUWRBYBPNXQO-NSHDSACASA-N 0 0 307.350 1.499 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000098013069 193774161 /nfs/dbraw/zinc/77/41/61/193774161.db2.gz QBCSFFWJGQXPRP-LLVKDONJSA-N 0 0 304.224 1.734 50 5 DDBARN O=C(COc1ccccc1[N+](=O)[O-])NCCc1cccnc1 ZINC000023874704 182369575 /nfs/dbraw/zinc/36/95/75/182369575.db2.gz WZPKBFFKDNLARN-UHFFFAOYSA-N 0 0 301.302 1.728 50 5 DDBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(C)(=O)=O)CC1 ZINC000024509231 182382862 /nfs/dbraw/zinc/38/28/62/182382862.db2.gz GGVADTMNHRDZLJ-NSHDSACASA-N 0 0 313.379 1.233 50 5 DDBARN Cc1nccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000048324355 183644209 /nfs/dbraw/zinc/64/42/09/183644209.db2.gz SHQZETXEDLGMAW-UHFFFAOYSA-N 0 0 301.306 1.535 50 5 DDBARN O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCO2)C1 ZINC000019874480 285146325 /nfs/dbraw/zinc/14/63/25/285146325.db2.gz PHPVAMBUKIDZHF-LBPRGKRZSA-N 0 0 302.334 1.939 50 5 DDBARN COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000000088450 406620833 /nfs/dbraw/zinc/62/08/33/406620833.db2.gz QLKNPJMXHOPWAD-UHFFFAOYSA-N 0 0 304.306 1.425 50 5 DDBARN NC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000000138662 406624284 /nfs/dbraw/zinc/62/42/84/406624284.db2.gz ASZIYRZQTPVREL-UHFFFAOYSA-N 0 0 309.285 1.941 50 5 DDBARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000000458369 406650555 /nfs/dbraw/zinc/65/05/55/406650555.db2.gz GZCLKCYWIIXQKK-LBPRGKRZSA-N 0 0 321.289 1.404 50 5 DDBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(N)nn21 ZINC000001401860 406669138 /nfs/dbraw/zinc/66/91/38/406669138.db2.gz YLNDUGRCAQBXOT-QMMMGPOBSA-N 0 0 300.278 1.755 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000002308295 406684416 /nfs/dbraw/zinc/68/44/16/406684416.db2.gz MISMCVSBJJARLQ-UHFFFAOYSA-N 0 0 321.249 1.497 50 5 DDBARN COc1cccc2c1OC[C@H](Nc1c([N+](=O)[O-])ncn1C)C2 ZINC000069558168 406734382 /nfs/dbraw/zinc/73/43/82/406734382.db2.gz QLBWELXNKXCHGM-SNVBAGLBSA-N 0 0 304.306 1.753 50 5 DDBARN Cc1cc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c(=O)n1 ZINC000004314751 406721930 /nfs/dbraw/zinc/72/19/30/406721930.db2.gz JKOGYXXMKVEJMI-UHFFFAOYSA-N 0 0 305.315 1.962 50 5 DDBARN CCOCCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008402349 406787408 /nfs/dbraw/zinc/78/74/08/406787408.db2.gz YRPXBKPFJFJJDR-UHFFFAOYSA-N 0 0 310.306 1.294 50 5 DDBARN COC(=O)Nc1c(SCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009659521 406812867 /nfs/dbraw/zinc/81/28/67/406812867.db2.gz JGPZCWXXZBGAJG-UHFFFAOYSA-N 0 0 317.279 1.766 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1ccncc1 ZINC000010327800 406820840 /nfs/dbraw/zinc/82/08/40/406820840.db2.gz VOHJJLJSHHECQR-UHFFFAOYSA-N 0 0 314.301 1.553 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000012693084 406849948 /nfs/dbraw/zinc/84/99/48/406849948.db2.gz JNLIMDSTFTXPFY-TXEJJXNPSA-N 0 0 307.350 1.951 50 5 DDBARN Cc1c(NC(=O)CSc2nc(N)n[nH]2)cccc1[N+](=O)[O-] ZINC000013117163 406858762 /nfs/dbraw/zinc/85/87/62/406858762.db2.gz DYKGJKZWEAVMKI-UHFFFAOYSA-N 0 0 308.323 1.334 50 5 DDBARN Cc1nnc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000071882341 406860694 /nfs/dbraw/zinc/86/06/94/406860694.db2.gz TYGPUJWBYYMGDW-QMMMGPOBSA-N 0 0 321.362 1.818 50 5 DDBARN Cn1cc([C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000072304740 406881067 /nfs/dbraw/zinc/88/10/67/406881067.db2.gz GBMMJTWVIAQMQC-LBPRGKRZSA-N 0 0 305.294 1.183 50 5 DDBARN O=[N+]([O-])c1ccccc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000024203849 406892563 /nfs/dbraw/zinc/89/25/63/406892563.db2.gz ZDJZTZRRMMYCEW-CZUORRHYSA-N 0 0 321.377 1.744 50 5 DDBARN O=C(OCC1CCN(CC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000077944564 407016399 /nfs/dbraw/zinc/01/63/99/407016399.db2.gz IOAGGIGSQZJAPK-NXEZZACHSA-N 0 0 310.272 1.469 50 5 DDBARN O=C(NC[C@@H]1CCOC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000048234501 407092292 /nfs/dbraw/zinc/09/22/92/407092292.db2.gz FPOAFOCWQSLBQB-NSHDSACASA-N 0 0 316.317 1.547 50 5 DDBARN COc1ccc(C(=O)N[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000047931505 407084505 /nfs/dbraw/zinc/08/45/05/407084505.db2.gz FESKEMGXOZAFPA-SNVBAGLBSA-N 0 0 304.306 1.618 50 5 DDBARN Cc1cc(NC2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000051620920 407140978 /nfs/dbraw/zinc/14/09/78/407140978.db2.gz UIQDFSMMSVXARQ-UHFFFAOYSA-N 0 0 313.379 1.739 50 5 DDBARN COC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000095452439 407213962 /nfs/dbraw/zinc/21/39/62/407213962.db2.gz SQWUWEFEKANNDF-UHFFFAOYSA-N 0 0 300.336 1.223 50 5 DDBARN NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000096427355 407264933 /nfs/dbraw/zinc/26/49/33/407264933.db2.gz IXHYYLWWTOYCQQ-ZETCQYMHSA-N 0 0 314.139 1.669 50 5 DDBARN C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC000097047989 407276700 /nfs/dbraw/zinc/27/67/00/407276700.db2.gz JNIWXRQRMJNCRT-GXFFZTMASA-N 0 0 316.317 1.992 50 5 DDBARN CS(=O)(=O)N[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000131428087 407736909 /nfs/dbraw/zinc/73/69/09/407736909.db2.gz TYTZISBEXAMMBL-VIFPVBQESA-N 0 0 317.342 1.252 50 5 DDBARN CN(CCCNC(=O)C1CCC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000408515950 418806180 /nfs/dbraw/zinc/80/61/80/418806180.db2.gz PSCNYYZGRHZAOZ-UHFFFAOYSA-N 0 0 306.366 1.920 50 5 DDBARN CC1(C)C[C@H](O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC000585131167 422309513 /nfs/dbraw/zinc/30/95/13/422309513.db2.gz NNBOZBVBDWDRND-SNVBAGLBSA-N 0 0 308.338 1.195 50 5 DDBARN COC(=O)c1ccc(-n2cc(-n3cc([N+](=O)[O-])cn3)cn2)cc1 ZINC000020220892 274001197 /nfs/dbraw/zinc/00/11/97/274001197.db2.gz ZTYVKIUFEATRQL-UHFFFAOYSA-N 0 0 313.273 1.753 50 5 DDBARN C[C@@H]1CCCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000005218636 277698948 /nfs/dbraw/zinc/69/89/48/277698948.db2.gz VJIONZVYLIUJJI-SNVBAGLBSA-N 0 0 306.370 1.804 50 5 DDBARN COCCOCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000585090117 483919056 /nfs/dbraw/zinc/91/90/56/483919056.db2.gz SLQPOOZYFZNHKN-UHFFFAOYSA-N 0 0 323.393 1.375 50 5 DDBARN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000670419702 484820023 /nfs/dbraw/zinc/82/00/23/484820023.db2.gz VCGKSWXALHCYRF-MRVPVSSYSA-N 0 0 318.289 1.157 50 5 DDBARN O=[N+]([O-])c1c(N[C@H](CO)CC2OCCO2)ccc2ncccc21 ZINC000952991946 721533587 /nfs/dbraw/zinc/53/35/87/721533587.db2.gz FONUGSVNVIRFON-JTQLQIEISA-N 0 0 319.317 1.679 50 5 DDBARN O=C(NCc1ccco1)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000072281899 295697487 /nfs/dbraw/zinc/69/74/87/295697487.db2.gz NVDCJZWBTFQEAZ-ZDUSSCGKSA-N 0 0 316.317 1.868 50 5 DDBARN COc1nn([C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000072334176 191126561 /nfs/dbraw/zinc/12/65/61/191126561.db2.gz VTASYOJSDFTODN-VIFPVBQESA-N 0 0 306.326 1.727 50 5 DDBARN COc1cc(Cl)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000000197138 180722462 /nfs/dbraw/zinc/72/24/62/180722462.db2.gz BZFIKHHBVQWSPQ-UHFFFAOYSA-N 0 0 311.685 1.487 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOc3ccccc3C2)c1 ZINC000076082578 353397194 /nfs/dbraw/zinc/39/71/94/353397194.db2.gz YCSFAGZCRGOKIZ-AWEZNQCLSA-N 0 0 318.333 1.047 50 5 DDBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCOCC1 ZINC000004036597 181065642 /nfs/dbraw/zinc/06/56/42/181065642.db2.gz NVIVAZQXXLBOEP-UHFFFAOYSA-N 0 0 305.334 1.667 50 5 DDBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NC(C)C ZINC000004810916 181154399 /nfs/dbraw/zinc/15/43/99/181154399.db2.gz QJUQYKUPJLCYIR-ZETCQYMHSA-N 0 0 319.159 1.948 50 5 DDBARN O=C(COc1cccnc1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC000005638219 181267493 /nfs/dbraw/zinc/26/74/93/181267493.db2.gz YPUITAAURJETFX-UHFFFAOYSA-N 0 0 305.265 1.824 50 5 DDBARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000005969336 181302051 /nfs/dbraw/zinc/30/20/51/181302051.db2.gz YMQPMGAYQVDFKC-GFCCVEGCSA-N 0 0 321.358 1.869 50 5 DDBARN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nnc4n3CCC4)C2)s1 ZINC000192451883 200880198 /nfs/dbraw/zinc/88/01/98/200880198.db2.gz AXGSCNYVTHUCCO-SECBINFHSA-N 0 0 320.378 1.973 50 5 DDBARN CNc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000093887645 193324302 /nfs/dbraw/zinc/32/43/02/193324302.db2.gz DLHBNENJGGSSGY-AWEZNQCLSA-N 0 0 311.313 1.724 50 5 DDBARN O=C(NCc1ccc(=O)[nH]c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000095979962 193474225 /nfs/dbraw/zinc/47/42/25/193474225.db2.gz GITKGAVHLHKZNI-UHFFFAOYSA-N 0 0 307.693 1.867 50 5 DDBARN NC(=O)[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000016662900 182056697 /nfs/dbraw/zinc/05/66/97/182056697.db2.gz XAENJXKCLRQVLA-VIFPVBQESA-N 0 0 307.306 1.021 50 5 DDBARN Cc1nn(CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000017887842 182087592 /nfs/dbraw/zinc/08/75/92/182087592.db2.gz HIARTZWIZXXOSR-AOOOYVTPSA-N 0 0 310.354 1.434 50 5 DDBARN O=[N+]([O-])c1ccc(NC(=S)NCCCN2CCOCC2)cc1 ZINC000019831750 182154916 /nfs/dbraw/zinc/15/49/16/182154916.db2.gz LGHYCNKKTCVWJT-UHFFFAOYSA-N 0 0 324.406 1.604 50 5 DDBARN C[C@@H](C(=O)NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020272837 182202761 /nfs/dbraw/zinc/20/27/61/182202761.db2.gz UJGNUOANKRWMHP-CYBMUJFWSA-N 0 0 321.377 1.537 50 5 DDBARN C[C@@H]1CCCN([C@]2(O)c3cc([N+](=O)[O-])ccc3N(C)C2=O)C1 ZINC000015016992 296400700 /nfs/dbraw/zinc/40/07/00/296400700.db2.gz QCRYIEAIXFKWNH-BMIGLBTASA-N 0 0 305.334 1.448 50 5 DDBARN O=c1c2ccc([N+](=O)[O-])cc2c(=O)n2n1CN(c1ccccc1)C2 ZINC000020095951 285210123 /nfs/dbraw/zinc/21/01/23/285210123.db2.gz RKBLQHCSYVUDHF-UHFFFAOYSA-N 0 0 324.296 1.507 50 5 DDBARN CCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000000470588 406649908 /nfs/dbraw/zinc/64/99/08/406649908.db2.gz BQQGWADWISJRNR-UHFFFAOYSA-N 0 0 310.701 1.897 50 5 DDBARN O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002711338 406695367 /nfs/dbraw/zinc/69/53/67/406695367.db2.gz NLYCFOSXJGHPLP-UHFFFAOYSA-N 0 0 310.653 1.289 50 5 DDBARN CCn1ncc(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000002778051 406698664 /nfs/dbraw/zinc/69/86/64/406698664.db2.gz RNSJEBPRPNCMPS-UHFFFAOYSA-N 0 0 306.326 1.125 50 5 DDBARN Nc1nc(N2CCCCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000005099563 406732567 /nfs/dbraw/zinc/73/25/67/406732567.db2.gz IGSLXHZVPCVQOO-SNVBAGLBSA-N 0 0 322.369 1.548 50 5 DDBARN 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CC(C)CN(CC(C)C)S(=O)(=O)c1cn(C)nc1[N+](=O)[O-] ZINC000084544207 483996795 /nfs/dbraw/zinc/99/67/95/483996795.db2.gz WGOWLOJPHVCNFE-UHFFFAOYSA-N 0 0 318.399 1.631 50 5 DDBARN Cn1cc(CCCn2nnc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000088500824 185254385 /nfs/dbraw/zinc/25/43/85/185254385.db2.gz PDBKITOHNSTAEE-UHFFFAOYSA-N 0 0 313.321 1.615 50 5 DDBARN CCc1ccc(NC(=O)[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000095395855 185352801 /nfs/dbraw/zinc/35/28/01/185352801.db2.gz BKHFTCUEVCQXDF-LBPRGKRZSA-N 0 0 320.393 1.732 50 5 DDBARN O=C(NC[C@H]1CCCO1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329427 191124194 /nfs/dbraw/zinc/12/41/94/191124194.db2.gz XWBQRAAPGADVOE-GFCCVEGCSA-N 0 0 316.317 1.894 50 5 DDBARN COc1cc(C(=O)O[C@H]2CCOC2=O)c([N+](=O)[O-])cc1OC ZINC000003449706 181021544 /nfs/dbraw/zinc/02/15/44/181021544.db2.gz DMAZIASIJDJDRZ-VIFPVBQESA-N 0 0 311.246 1.084 50 5 DDBARN CCN1CCO[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000004269501 181090117 /nfs/dbraw/zinc/09/01/17/181090117.db2.gz 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CC(C)CNC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000002640480 406692328 /nfs/dbraw/zinc/69/23/28/406692328.db2.gz OWFKNTVEXBLLTQ-UHFFFAOYSA-N 0 0 304.306 1.077 50 5 DDBARN CCCCN1C[C@H](C(=O)Nc2ncc([N+](=O)[O-])s2)CC1=O ZINC000009698835 406812641 /nfs/dbraw/zinc/81/26/41/406812641.db2.gz VIOSPTNASYQJOH-MRVPVSSYSA-N 0 0 312.351 1.638 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)Cc1ccccc1 ZINC000070957278 406829265 /nfs/dbraw/zinc/82/92/65/406829265.db2.gz NBGIPRMYVZNMKL-MRXNPFEDSA-N 0 0 314.341 1.857 50 5 DDBARN CN(C[C@H](O)COCc1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC000071900390 406865524 /nfs/dbraw/zinc/86/55/24/406865524.db2.gz UGSXRAPKGPWUOB-ZDUSSCGKSA-N 0 0 320.349 1.342 50 5 DDBARN C[C@@H](CS(C)(=O)=O)N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000072281931 406878488 /nfs/dbraw/zinc/87/84/88/406878488.db2.gz PMXPCLWGNRCKQD-VIFPVBQESA-N 0 0 312.351 1.112 50 5 DDBARN COC(=O)Nc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025666498 406898936 /nfs/dbraw/zinc/89/89/36/406898936.db2.gz 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406701433 /nfs/dbraw/zinc/70/14/33/406701433.db2.gz LEWWZTSQWUAVRQ-UHFFFAOYSA-N 0 0 320.305 1.239 50 5 DDBARN CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000069533092 406731997 /nfs/dbraw/zinc/73/19/97/406731997.db2.gz YBYPNVLUFKOYNX-UHFFFAOYSA-N 0 0 324.362 1.494 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 ZINC000014238036 406874093 /nfs/dbraw/zinc/87/40/93/406874093.db2.gz RGNRWBVSMWNZDX-UHFFFAOYSA-N 0 0 310.335 1.160 50 5 DDBARN Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)o1 ZINC000015017285 406878471 /nfs/dbraw/zinc/87/84/71/406878471.db2.gz HDVUNXGWFGJPCO-OAHLLOKOSA-N 0 0 316.269 1.909 50 5 DDBARN NC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000072294773 406879633 /nfs/dbraw/zinc/87/96/33/406879633.db2.gz RKBYQCKZOOYLQB-NSHDSACASA-N 0 0 322.708 1.533 50 5 DDBARN NC(=O)Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1 ZINC000020530656 406887382 /nfs/dbraw/zinc/88/73/82/406887382.db2.gz TXKFVHSWANOGTO-UHFFFAOYSA-N 0 0 312.289 1.129 50 5 DDBARN COC(=O)c1sccc1NC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000026124138 406901925 /nfs/dbraw/zinc/90/19/25/406901925.db2.gz HAPTVYGTUYRCNR-UHFFFAOYSA-N 0 0 310.291 1.278 50 5 DDBARN CCN(CC(=O)NC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967489 406936016 /nfs/dbraw/zinc/93/60/16/406936016.db2.gz PFEIAWATABRQMA-UHFFFAOYSA-N 0 0 320.349 1.405 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc2ncccc21 ZINC000031672442 406941504 /nfs/dbraw/zinc/94/15/04/406941504.db2.gz FKDBPCKBJCSDBZ-UHFFFAOYSA-N 0 0 324.296 1.943 50 5 DDBARN C[C@@H]1CCC[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000076021977 406950934 /nfs/dbraw/zinc/95/09/34/406950934.db2.gz AIVOCLSPBKUING-NEPJUHHUSA-N 0 0 307.350 1.794 50 5 DDBARN Cc1nnc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)n1C ZINC000089736078 407145247 /nfs/dbraw/zinc/14/52/47/407145247.db2.gz ODFPYEKMNOHVJZ-UHFFFAOYSA-N 0 0 316.321 1.805 50 5 DDBARN O=C(Nc1cccnc1N1CCSCC1)[C@H]1CC1[N+](=O)[O-] ZINC000051988312 407146661 /nfs/dbraw/zinc/14/66/61/407146661.db2.gz SCGNQMCMBAENPE-GXSJLCMTSA-N 0 0 308.363 1.239 50 5 DDBARN NS(=O)(=O)c1ccccc1OCc1csc([N+](=O)[O-])c1 ZINC000089814528 407152443 /nfs/dbraw/zinc/15/24/43/407152443.db2.gz AYXWJVGZAWTADO-UHFFFAOYSA-N 0 0 314.344 1.883 50 5 DDBARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000052992344 407161736 /nfs/dbraw/zinc/16/17/36/407161736.db2.gz HWEIUQRIXPKKRB-UONOGXRCSA-N 0 0 323.393 1.339 50 5 DDBARN CNC(=O)c1ccc(NCCc2cncn2C)c([N+](=O)[O-])c1 ZINC000097108389 407280257 /nfs/dbraw/zinc/28/02/57/407280257.db2.gz QDAKLRUGMGQPCX-UHFFFAOYSA-N 0 0 303.322 1.343 50 5 DDBARN CCCCn1c(=N)c(C(N)=O)cc2c1nc1ccccn1c2=O ZINC000100706971 407308239 /nfs/dbraw/zinc/30/82/39/407308239.db2.gz LRRJYNYUTADQFM-UHFFFAOYSA-N 0 0 311.345 1.028 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])cc(C)c1-n1ccc([N+](=O)[O-])n1 ZINC000170613110 407454914 /nfs/dbraw/zinc/45/49/14/407454914.db2.gz UUNVCSJEOYFOMU-UHFFFAOYSA-N 0 0 306.234 1.784 50 5 DDBARN Cc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)n(C(C)(C)C)n1 ZINC000170619298 407457508 /nfs/dbraw/zinc/45/75/08/407457508.db2.gz WJPHBNDCDDPGHG-UHFFFAOYSA-N 0 0 320.353 1.998 50 5 DDBARN O=[N+]([O-])c1ccc(OC2CN(C[C@@H](O)C(F)(F)F)C2)cc1 ZINC000189461945 408025242 /nfs/dbraw/zinc/02/52/42/408025242.db2.gz AXONSIUQXMKODG-LLVKDONJSA-N 0 0 306.240 1.581 50 5 DDBARN Cc1cc(C(=O)NC[C@H](C)Cn2ccnc2)c(N)c([N+](=O)[O-])c1 ZINC000176829532 408454123 /nfs/dbraw/zinc/45/41/23/408454123.db2.gz BORPETSOSJKDJL-NSHDSACASA-N 0 0 317.349 1.748 50 5 DDBARN CNC(=O)[C@H]1CCC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420611405 420330260 /nfs/dbraw/zinc/33/02/60/420330260.db2.gz NHVOPAVHKTXLDT-WPRPVWTQSA-N 0 0 306.322 1.020 50 5 DDBARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000189037468 279010472 /nfs/dbraw/zinc/01/04/72/279010472.db2.gz HSSJUAMUDWBKIB-CYBMUJFWSA-N 0 0 305.334 1.582 50 5 DDBARN CNC(=O)c1ccc(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000083882264 483987502 /nfs/dbraw/zinc/98/75/02/483987502.db2.gz VABQNKZLAZSSLF-UHFFFAOYSA-N 0 0 317.301 1.195 50 5 DDBARN COC(=O)c1ncn(-c2ccccc2[N+](=O)[O-])c1C(=O)OC ZINC000670422569 484822400 /nfs/dbraw/zinc/82/24/00/484822400.db2.gz BNYJVEQLLIABNZ-UHFFFAOYSA-N 0 0 305.246 1.354 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc(C(F)(F)F)on1 ZINC000585087646 771936468 /nfs/dbraw/zinc/93/64/68/771936468.db2.gz BGUDSXNFJIOKJZ-UHFFFAOYSA-N 0 0 319.199 1.115 50 5 DDBARN CCC(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000095432613 185363931 /nfs/dbraw/zinc/36/39/31/185363931.db2.gz IYBULQINXGCBRL-CQSZACIVSA-N 0 0 307.350 1.182 50 5 DDBARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003455541 181022320 /nfs/dbraw/zinc/02/23/20/181022320.db2.gz FSKPYEMQRPLHCN-VIFPVBQESA-N 0 0 303.274 1.945 50 5 DDBARN COc1cc(/C=C2\C([N+](=O)[O-])=C(C)CS2(=O)=O)ccc1O ZINC000211063507 354309474 /nfs/dbraw/zinc/30/94/74/354309474.db2.gz DJEMNEOAQVRQRM-WUXMJOGZSA-N 0 0 311.315 1.721 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004629526 181131028 /nfs/dbraw/zinc/13/10/28/181131028.db2.gz ATXADUGNHJOJQO-UHFFFAOYSA-N 0 0 304.262 1.352 50 5 DDBARN NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000004891530 181168465 /nfs/dbraw/zinc/16/84/65/181168465.db2.gz GVCGBQXGMSJVQW-FLIBITNWSA-N 0 0 301.258 1.444 50 5 DDBARN Cn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccco1 ZINC000074783010 191360294 /nfs/dbraw/zinc/36/02/94/191360294.db2.gz NHQDYJIZYSTODV-UHFFFAOYSA-N 0 0 320.334 1.972 50 5 DDBARN COc1ccc(Cc2noc([C@H]3CC3[N+](=O)[O-])n2)cc1OC ZINC000096405295 193620786 /nfs/dbraw/zinc/62/07/86/193620786.db2.gz ZTOPKNJUUAMGFO-UWVGGRQHSA-N 0 0 305.290 1.810 50 5 DDBARN CON(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000007979086 181514333 /nfs/dbraw/zinc/51/43/33/181514333.db2.gz QZKGUKQNQMKEKT-UHFFFAOYSA-N 0 0 317.367 1.669 50 5 DDBARN COc1cc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000267515368 206119367 /nfs/dbraw/zinc/11/93/67/206119367.db2.gz DBCVWHNGRMIFCA-DOMZBBRYSA-N 0 0 321.377 1.760 50 5 DDBARN O=[N+]([O-])c1cccc(-c2noc(CN3CCC(CO)CC3)n2)c1 ZINC000058403742 184113230 /nfs/dbraw/zinc/11/32/30/184113230.db2.gz VZICTRPIUMJFAI-UHFFFAOYSA-N 0 0 318.333 1.849 50 5 DDBARN [NH3+]Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000063191052 184277038 /nfs/dbraw/zinc/27/70/38/184277038.db2.gz CQKJRELQDCMKHR-UHFFFAOYSA-N 0 0 307.331 1.854 50 5 DDBARN COC[C@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000065577114 184368206 /nfs/dbraw/zinc/36/82/06/184368206.db2.gz GDDKZAWQUZOUQW-LBPRGKRZSA-N 0 0 322.365 1.779 50 5 DDBARN CCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)N1CCOCC1 ZINC000000977713 406661130 /nfs/dbraw/zinc/66/11/30/406661130.db2.gz CVMUWLDJMNHLIW-UHFFFAOYSA-N 0 0 308.290 1.244 50 5 DDBARN Nc1nonc1-c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000001067648 406661158 /nfs/dbraw/zinc/66/11/58/406661158.db2.gz XKPAWWRRCCIJSI-UHFFFAOYSA-N 0 0 308.641 1.930 50 5 DDBARN CCOC(=O)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002156186 406683937 /nfs/dbraw/zinc/68/39/37/406683937.db2.gz SABRKUXVDKTNKA-UHFFFAOYSA-N 0 0 301.686 1.933 50 5 DDBARN Cc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000003387400 406717708 /nfs/dbraw/zinc/71/77/08/406717708.db2.gz UJBFUCLAUIPZHC-GFCCVEGCSA-N 0 0 322.317 1.355 50 5 DDBARN CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000003884033 406720420 /nfs/dbraw/zinc/72/04/20/406720420.db2.gz JDNLLSPTEVFQIK-UHFFFAOYSA-N 0 0 321.333 1.473 50 5 DDBARN C/C(=N\NC(=O)C1=CC[C@@H]([N+](=O)[O-])C=C1)c1ccc(N)cc1 ZINC000004947951 406728362 /nfs/dbraw/zinc/72/83/62/406728362.db2.gz JHKRPAURHADAPZ-FBJMNJBLSA-N 0 0 300.318 1.641 50 5 DDBARN Cc1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000009662751 406812574 /nfs/dbraw/zinc/81/25/74/406812574.db2.gz YQEFTPLHTBWGHM-QWRGUYRKSA-N 0 0 309.322 1.313 50 5 DDBARN CCOC(=O)N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000009496056 406809612 /nfs/dbraw/zinc/80/96/12/406809612.db2.gz XXZKWIZFTGYRDZ-UHFFFAOYSA-N 0 0 321.333 1.818 50 5 DDBARN O=[N+]([O-])c1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000071892942 406862335 /nfs/dbraw/zinc/86/23/35/406862335.db2.gz RFMNHJCGHHSCAV-LLVKDONJSA-N 0 0 316.404 1.808 50 5 DDBARN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000071900445 406865556 /nfs/dbraw/zinc/86/55/56/406865556.db2.gz YZOWAODKJHLEQP-NSHDSACASA-N 0 0 317.367 1.061 50 5 DDBARN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000078251563 407021999 /nfs/dbraw/zinc/02/19/99/407021999.db2.gz IUVXWKPYUCPFHY-UHFFFAOYSA-N 0 0 317.349 1.917 50 5 DDBARN O=C1OCC[C@@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000089773161 407147738 /nfs/dbraw/zinc/14/77/38/407147738.db2.gz DFIQQVBRNDJBBF-AWEZNQCLSA-N 0 0 323.324 1.926 50 5 DDBARN O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000052901894 407160989 /nfs/dbraw/zinc/16/09/89/407160989.db2.gz NURKREYWLBYVGS-RYUDHWBXSA-N 0 0 310.281 1.016 50 5 DDBARN Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000097114073 407280949 /nfs/dbraw/zinc/28/09/49/407280949.db2.gz ITPCWOPCLPFUAR-SECBINFHSA-N 0 0 312.713 1.588 50 5 DDBARN O=[N+]([O-])c1ccn(C[C@H](O)COc2cccc3[nH]ccc32)n1 ZINC000195545775 407464194 /nfs/dbraw/zinc/46/41/94/407464194.db2.gz KUHQLJFDHJKQSH-JTQLQIEISA-N 0 0 302.290 1.713 50 5 DDBARN CN(CCn1cccn1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000195576730 407467358 /nfs/dbraw/zinc/46/73/58/407467358.db2.gz SPEUDTRHGRMPHQ-UHFFFAOYSA-N 0 0 324.362 1.331 50 5 DDBARN C[C@@H](NC(=O)N(C)Cc1nc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000225854032 407609829 /nfs/dbraw/zinc/60/98/29/407609829.db2.gz VMKHDGUIGMEGSH-SECBINFHSA-N 0 0 304.310 1.616 50 5 DDBARN Cc1cc(Cl)c(C(=O)N2CCn3cnnc3C2)cc1[N+](=O)[O-] ZINC000295281512 224656072 /nfs/dbraw/zinc/65/60/72/224656072.db2.gz PIVRWLYHVHAZPF-UHFFFAOYSA-N 0 0 321.724 1.804 50 5 DDBARN Cc1[nH]c(=O)ccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000155840855 221665556 /nfs/dbraw/zinc/66/55/56/221665556.db2.gz MLEMEGVOVPKLRE-UHFFFAOYSA-N 0 0 316.317 1.846 50 5 DDBARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000044551514 418429206 /nfs/dbraw/zinc/42/92/06/418429206.db2.gz HGPFCIBVTORZCE-DGCLKSJQSA-N 0 0 303.318 1.947 50 5 DDBARN O=c1[nH]c(CCNc2ncnc3cccc([N+](=O)[O-])c32)cs1 ZINC000408514761 418805918 /nfs/dbraw/zinc/80/59/18/418805918.db2.gz OGTVHDDUTUHOEZ-UHFFFAOYSA-N 0 0 317.330 2.355 50 5 DDBARN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000408514293 418806072 /nfs/dbraw/zinc/80/60/72/418806072.db2.gz DHQVTROHBCSNFV-ZDUSSCGKSA-N 0 0 323.324 1.721 50 5 DDBARN CNC(=O)[C@H]1CCC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420611403 420330083 /nfs/dbraw/zinc/33/00/83/420330083.db2.gz NHVOPAVHKTXLDT-WCBMZHEXSA-N 0 0 306.322 1.020 50 5 DDBARN CC(=O)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000440359 277021111 /nfs/dbraw/zinc/02/11/11/277021111.db2.gz PCHAIJWXQSOEDZ-LLVKDONJSA-N 0 0 317.223 1.910 50 5 DDBARN Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000008995167 279110556 /nfs/dbraw/zinc/11/05/56/279110556.db2.gz QLARMJQWEQXUKR-JTQLQIEISA-N 0 0 300.274 1.461 50 5 DDBARN Cc1cc(=O)n2c(n1)SC[C@@]2(O)c1ccc([N+](=O)[O-])cc1 ZINC000015228476 280305817 /nfs/dbraw/zinc/30/58/17/280305817.db2.gz CLYGSKXLMJQPAM-CYBMUJFWSA-N 0 0 305.315 1.259 50 5 DDBARN Cc1nc(N2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000160398082 281927769 /nfs/dbraw/zinc/92/77/69/281927769.db2.gz CVJUYEVWQKMEBS-ZDUSSCGKSA-N 0 0 306.366 1.599 50 5 DDBARN Cn1cc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088794835 185266177 /nfs/dbraw/zinc/26/61/77/185266177.db2.gz UENMVGMNUIWWKG-UHFFFAOYSA-N 0 0 322.346 1.075 50 5 DDBARN O=C(NCCO)c1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000095402836 185354914 /nfs/dbraw/zinc/35/49/14/185354914.db2.gz SUQYMBISFNSODE-UHFFFAOYSA-N 0 0 321.358 1.991 50 5 DDBARN COC(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000000029067 180671389 /nfs/dbraw/zinc/67/13/89/180671389.db2.gz XSQWJUBJSXANTN-NXEZZACHSA-N 0 0 322.317 1.631 50 5 DDBARN COc1ccc(OCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000003447455 181021660 /nfs/dbraw/zinc/02/16/60/181021660.db2.gz RTMYCUJMLBYEMK-UHFFFAOYSA-N 0 0 308.212 1.661 50 5 DDBARN CC(C)(C)OC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004412204 181108092 /nfs/dbraw/zinc/10/80/92/181108092.db2.gz DPHAOBJBPBESAC-UHFFFAOYSA-N 0 0 316.335 1.215 50 5 DDBARN Cc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000004504710 181116975 /nfs/dbraw/zinc/11/69/75/181116975.db2.gz PUSNNOFQIQWMHQ-NSHDSACASA-N 0 0 312.347 1.162 50 5 DDBARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004581382 181126644 /nfs/dbraw/zinc/12/66/44/181126644.db2.gz DMOIRLHWICVFRH-UHFFFAOYSA-N 0 0 324.296 1.943 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1ccc(Cl)cc1 ZINC000004743049 181145904 /nfs/dbraw/zinc/14/59/04/181145904.db2.gz ZADMFHDTXXUCSV-UHFFFAOYSA-N 0 0 308.725 1.804 50 5 DDBARN O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NCc1ccco1 ZINC000004806767 181154031 /nfs/dbraw/zinc/15/40/31/181154031.db2.gz VJULXTKZXKLDDP-UHFFFAOYSA-N 0 0 301.262 1.619 50 5 DDBARN Nc1nc(N2CCCC2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000005068939 181200422 /nfs/dbraw/zinc/20/04/22/181200422.db2.gz GOIIXKXGAACJDW-UHFFFAOYSA-N 0 0 304.310 1.772 50 5 DDBARN Cc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000005466501 181247105 /nfs/dbraw/zinc/24/71/05/181247105.db2.gz YDMQCDMXAWNXTK-UHFFFAOYSA-N 0 0 306.297 1.864 50 5 DDBARN CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C(C)C)c1=N ZINC000100630588 283465092 /nfs/dbraw/zinc/46/50/92/283465092.db2.gz VFFVSHYVVBBGJE-UHFFFAOYSA-N 0 0 311.345 1.069 50 5 DDBARN Cc1cc(S(=O)(=O)NCc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000096406676 193621627 /nfs/dbraw/zinc/62/16/27/193621627.db2.gz VPVKYIASVDEPKB-UHFFFAOYSA-N 0 0 310.335 1.115 50 5 DDBARN CCCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000012922523 181811900 /nfs/dbraw/zinc/81/19/00/181811900.db2.gz JERXYFQKDKDNRQ-QMMMGPOBSA-N 0 0 313.741 1.893 50 5 DDBARN NC(=O)c1ccc(CSc2cccc[n+]2[O-])c([N+](=O)[O-])c1 ZINC000016118490 182035026 /nfs/dbraw/zinc/03/50/26/182035026.db2.gz VNVSBOKEZSLCMU-UHFFFAOYSA-N 0 0 305.315 1.619 50 5 DDBARN COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000017031480 182069216 /nfs/dbraw/zinc/06/92/16/182069216.db2.gz PHOLDHULRUIWDK-UHFFFAOYSA-N 0 0 307.222 1.487 50 5 DDBARN COc1cc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000267515371 206118813 /nfs/dbraw/zinc/11/88/13/206118813.db2.gz DBCVWHNGRMIFCA-WFASDCNBSA-N 0 0 321.377 1.760 50 5 DDBARN O=c1c([N+](=O)[O-])c(NCC[C@@H]2CCCO2)nc2ccccn21 ZINC000024202930 182376356 /nfs/dbraw/zinc/37/63/56/182376356.db2.gz DBOZBULIMQKSLH-JTQLQIEISA-N 0 0 304.306 1.584 50 5 DDBARN C[S@@](=O)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000110592494 194340518 /nfs/dbraw/zinc/34/05/18/194340518.db2.gz ZCPKPILANHUOKV-NRFANRHFSA-N 0 0 311.363 1.660 50 5 DDBARN CCONC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000058430545 184117377 /nfs/dbraw/zinc/11/73/77/184117377.db2.gz CMBMPVYPTMVILN-UHFFFAOYSA-N 0 0 314.294 1.310 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1nccs1 ZINC000065487534 184352548 /nfs/dbraw/zinc/35/25/48/184352548.db2.gz NZYCAUSCOUUYLL-UHFFFAOYSA-N 0 0 313.360 1.838 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCOC(C)C ZINC000046033734 256535225 /nfs/dbraw/zinc/53/52/25/256535225.db2.gz KOTOYTNCNOKTAU-UHFFFAOYSA-N 0 0 316.379 1.997 50 5 DDBARN NS(=O)(=O)C[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349219580 257236832 /nfs/dbraw/zinc/23/68/32/257236832.db2.gz RCXDCIWFRJCPRE-VIFPVBQESA-N 0 0 319.770 1.506 50 5 DDBARN COC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000000195163 406628244 /nfs/dbraw/zinc/62/82/44/406628244.db2.gz NXABTSZNHJFTMJ-UHFFFAOYSA-N 0 0 304.262 1.367 50 5 DDBARN COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000000209669 406630937 /nfs/dbraw/zinc/63/09/37/406630937.db2.gz DWSSNYADLJAVDO-NXEZZACHSA-N 0 0 324.333 1.861 50 5 DDBARN CC[C@@H](Sc1nnnn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000621685 406659882 /nfs/dbraw/zinc/65/98/82/406659882.db2.gz PMIAANYWSLKYKY-SNVBAGLBSA-N 0 0 322.350 1.628 50 5 DDBARN CCOc1nc(NCCO)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004684943 406725612 /nfs/dbraw/zinc/72/56/12/406725612.db2.gz DEJNNAROGRRGFG-UHFFFAOYSA-N 0 0 320.309 1.326 50 5 DDBARN COc1ccc(CC(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000008684093 406793774 /nfs/dbraw/zinc/79/37/74/406793774.db2.gz PIAVIMLTJUQQJD-UHFFFAOYSA-N 0 0 318.285 1.748 50 5 DDBARN COc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000008830329 406796713 /nfs/dbraw/zinc/79/67/13/406796713.db2.gz LRLBEYQRFVERTQ-UHFFFAOYSA-N 0 0 304.258 1.819 50 5 DDBARN Cc1ccc(C(=O)NCC(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000009954447 406817411 /nfs/dbraw/zinc/81/74/11/406817411.db2.gz GSSCHJGOASHMQB-UHFFFAOYSA-N 0 0 320.330 1.728 50 5 DDBARN CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000071857399 406853649 /nfs/dbraw/zinc/85/36/49/406853649.db2.gz WNRNGJZAESTBIW-QMMMGPOBSA-N 0 0 318.326 1.884 50 5 DDBARN O=C(NCCNc1cnccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031599530 406940283 /nfs/dbraw/zinc/94/02/83/406940283.db2.gz CEJMFCOYVQFZLL-UHFFFAOYSA-N 0 0 321.724 1.880 50 5 DDBARN O=[N+]([O-])c1cccnc1NCc1cccnc1N1CCOCC1 ZINC000032779289 406953827 /nfs/dbraw/zinc/95/38/27/406953827.db2.gz GFQRGTIBLCHSIP-UHFFFAOYSA-N 0 0 315.333 1.834 50 5 DDBARN CC(C)(CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000033026750 406958475 /nfs/dbraw/zinc/95/84/75/406958475.db2.gz ZBCBEJIUIINWTD-UHFFFAOYSA-N 0 0 321.377 1.364 50 5 DDBARN O=C(CCn1cnc([N+](=O)[O-])c1)N1CCOc2ccccc21 ZINC000033168109 406959846 /nfs/dbraw/zinc/95/98/46/406959846.db2.gz QYWSONVEVYNWCE-UHFFFAOYSA-N 0 0 302.290 1.607 50 5 DDBARN Cc1cccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1[N+](=O)[O-] ZINC000054691439 407187543 /nfs/dbraw/zinc/18/75/43/407187543.db2.gz WFOXVCJOICFNJK-CYBMUJFWSA-N 0 0 313.313 1.860 50 5 DDBARN Cc1nn(C)c(N2CCN(C3=NC[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000096424092 407264431 /nfs/dbraw/zinc/26/44/31/407264431.db2.gz YDMVZIWJPWRKOJ-VIFPVBQESA-N 0 0 324.410 1.250 50 5 DDBARN Cc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000170600116 407447804 /nfs/dbraw/zinc/44/78/04/407447804.db2.gz HCTOISGUERECHP-UHFFFAOYSA-N 0 0 310.291 1.200 50 5 DDBARN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCCC1=O ZINC000170619103 407457194 /nfs/dbraw/zinc/45/71/94/407457194.db2.gz UTJLJZVMRGBZOR-VIFPVBQESA-N 0 0 311.363 1.787 50 5 DDBARN COC(=O)C[C@@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000179144326 407733761 /nfs/dbraw/zinc/73/37/61/407733761.db2.gz GLBAXFPSUADFKQ-JTQLQIEISA-N 0 0 321.333 1.653 50 5 DDBARN C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000252477522 408795709 /nfs/dbraw/zinc/79/57/09/408795709.db2.gz PVHDRJFKGMYCEI-YUSALJHKSA-N 0 0 309.391 1.276 50 5 DDBARN COC[C@H]1CN(c2cc([N+](=O)[O-])ccc2C(=O)OC)CCO1 ZINC000408523685 418808838 /nfs/dbraw/zinc/80/88/38/418808838.db2.gz MIPMOGCHZKCWRR-LLVKDONJSA-N 0 0 310.306 1.233 50 5 DDBARN CCS(=O)(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000015443347 280030914 /nfs/dbraw/zinc/03/09/14/280030914.db2.gz YEGBPXJEKSXHQB-UHFFFAOYSA-N 0 0 314.363 1.350 50 5 DDBARN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000170599185 288310153 /nfs/dbraw/zinc/31/01/53/288310153.db2.gz XWYDDLVIRDDWFG-WCQYABFASA-N 0 0 319.361 1.999 50 5 DDBARN COC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H](C(N)=O)C1 ZINC000585092757 771941996 /nfs/dbraw/zinc/94/19/96/771941996.db2.gz MQKOTZQKGGOPMZ-SECBINFHSA-N 0 0 307.306 1.083 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1O ZINC000078953353 185134983 /nfs/dbraw/zinc/13/49/83/185134983.db2.gz AHCGMURYNYCVBL-GXTWGEPZSA-N 0 0 307.350 1.740 50 5 DDBARN C[S@](=O)c1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000095409065 185356741 /nfs/dbraw/zinc/35/67/41/185356741.db2.gz NPBDANAIJYXLKO-OAQYLSRUSA-N 0 0 307.335 1.317 50 5 DDBARN C[S@](=O)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000095416537 185359103 /nfs/dbraw/zinc/35/91/03/185359103.db2.gz DHHGXFWMEPMMQN-MRXNPFEDSA-N 0 0 308.157 1.543 50 5 DDBARN C[C@H]1CCc2ccccc2N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000107145677 185469839 /nfs/dbraw/zinc/46/98/39/185469839.db2.gz QPBBHYOLSDJREN-WFASDCNBSA-N 0 0 316.361 1.994 50 5 DDBARN COC(=O)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279879877 215202050 /nfs/dbraw/zinc/20/20/50/215202050.db2.gz GCJCVFGZBFNFDT-UHFFFAOYSA-N 0 0 304.661 1.219 50 5 DDBARN Nc1cn2nncc2c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000075270263 353357123 /nfs/dbraw/zinc/35/71/23/353357123.db2.gz HRUKGFBMQCWRBB-UHFFFAOYSA-N 0 0 302.319 1.907 50 5 DDBARN Cn1cc(CCCn2cc(Br)c([N+](=O)[O-])n2)cn1 ZINC000088499712 353755936 /nfs/dbraw/zinc/75/59/36/353755936.db2.gz CZDAKAADMSLEDT-UHFFFAOYSA-N 0 0 314.143 1.920 50 5 DDBARN C[C@H](O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000004381584 181104481 /nfs/dbraw/zinc/10/44/81/181104481.db2.gz JNJKESDXZNNJBX-QMMMGPOBSA-N 0 0 300.270 1.725 50 5 DDBARN CC(C)[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O ZINC000004521447 181119677 /nfs/dbraw/zinc/11/96/77/181119677.db2.gz ZTFFRKNPAXXEBL-SNVBAGLBSA-N 0 0 300.246 1.564 50 5 DDBARN O=C(COC(=O)c1cnccn1)Nc1ccccc1[N+](=O)[O-] ZINC000005786201 181283694 /nfs/dbraw/zinc/28/36/94/181283694.db2.gz ZUPCFYWQZCVQEJ-UHFFFAOYSA-N 0 0 302.246 1.180 50 5 DDBARN CN(C[C@@H]1CN(C)CCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040423 357800270 /nfs/dbraw/zinc/80/02/70/357800270.db2.gz OVJCRINPJZCBGJ-ZDUSSCGKSA-N 0 0 316.361 1.910 50 5 DDBARN COc1cccc2c1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000180750122 199204820 /nfs/dbraw/zinc/20/48/20/199204820.db2.gz GQBOZWCVIJEUGW-UHFFFAOYSA-N 0 0 302.290 1.525 50 5 DDBARN Cc1nc(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)cs1 ZINC000089709099 192848258 /nfs/dbraw/zinc/84/82/58/192848258.db2.gz JTUKPFHFHDLIFG-UHFFFAOYSA-N 0 0 324.366 1.098 50 5 DDBARN O=C(NCc1ccncc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013208437 181838087 /nfs/dbraw/zinc/83/80/87/181838087.db2.gz RFHDQADAKBFOKA-UHFFFAOYSA-N 0 0 302.246 1.828 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])cn1S(=O)(=O)c1ccc(C)cc1 ZINC000015446283 182002335 /nfs/dbraw/zinc/00/23/35/182002335.db2.gz AYFBDJWRDWDJJZ-UHFFFAOYSA-N 0 0 324.314 1.728 50 5 DDBARN Cc1ccoc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000016555813 182049243 /nfs/dbraw/zinc/04/92/43/182049243.db2.gz JQUXZAZXWYUPIY-UHFFFAOYSA-N 0 0 304.258 1.952 50 5 DDBARN O=C(CN1CCC2(CC1)OCCO2)Nc1cccc([N+](=O)[O-])c1 ZINC000017055675 182072599 /nfs/dbraw/zinc/07/25/99/182072599.db2.gz OKSHDQFWACWVJR-UHFFFAOYSA-N 0 0 321.333 1.372 50 5 DDBARN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000018179470 182097153 /nfs/dbraw/zinc/09/71/53/182097153.db2.gz RNQWCRYRLQLXCZ-AOOOYVTPSA-N 0 0 300.336 1.393 50 5 DDBARN O=C(NCCN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000019733028 182138884 /nfs/dbraw/zinc/13/88/84/182138884.db2.gz RVPYXPIPYIIUHN-UHFFFAOYSA-N 0 0 313.741 1.310 50 5 DDBARN Cc1nnc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000024886115 182394022 /nfs/dbraw/zinc/39/40/22/182394022.db2.gz CVBYFLFBLNCECA-UHFFFAOYSA-N 0 0 307.218 1.372 50 5 DDBARN COc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000040504977 183084587 /nfs/dbraw/zinc/08/45/87/183084587.db2.gz MJYPHJBTLZFHPF-UHFFFAOYSA-N 0 0 302.290 1.709 50 5 DDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OC1CCCC1 ZINC000042485697 183275933 /nfs/dbraw/zinc/27/59/33/183275933.db2.gz UZOSDVLKYVVOMC-UHFFFAOYSA-N 0 0 318.285 1.677 50 5 DDBARN COc1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000044892052 183448875 /nfs/dbraw/zinc/44/88/75/183448875.db2.gz GREVDMMXNPQINC-UHFFFAOYSA-N 0 0 318.285 1.657 50 5 DDBARN Cc1nn(CC(=O)Nc2cc(C(C)C)[nH]n2)c(C)c1[N+](=O)[O-] ZINC000058167446 184083829 /nfs/dbraw/zinc/08/38/29/184083829.db2.gz JKKWIWJSQSDZMX-UHFFFAOYSA-N 0 0 306.326 1.893 50 5 DDBARN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1CO ZINC000153928122 196922125 /nfs/dbraw/zinc/92/21/25/196922125.db2.gz NMZKQCHJGDHISB-GFCCVEGCSA-N 0 0 303.318 1.602 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1nc2ccccc2[nH]1 ZINC000001429945 406668959 /nfs/dbraw/zinc/66/89/59/406668959.db2.gz KNZSEPOIFBQUHV-UHFFFAOYSA-N 0 0 314.305 1.027 50 5 DDBARN Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000001742360 406677957 /nfs/dbraw/zinc/67/79/57/406677957.db2.gz ANAOJFLIRAIMCA-UHFFFAOYSA-N 0 0 311.348 1.759 50 5 DDBARN CCn1ncc(CN(C)C(=O)Cn2cc([N+](=O)[O-])c(C)n2)c1C ZINC000002777769 406698059 /nfs/dbraw/zinc/69/80/59/406698059.db2.gz BBMZXBVHZYOVAJ-UHFFFAOYSA-N 0 0 320.353 1.283 50 5 DDBARN CCn1nc(C)c(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000002777636 406698504 /nfs/dbraw/zinc/69/85/04/406698504.db2.gz RJXRNIPMQCEYRU-UHFFFAOYSA-N 0 0 320.353 1.434 50 5 DDBARN COc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1 ZINC000002763776 406699616 /nfs/dbraw/zinc/69/96/16/406699616.db2.gz XYKNQGOZHZNJDI-UHFFFAOYSA-N 0 0 306.278 1.447 50 5 DDBARN Cc1nn(CC(=O)NCc2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000000370945 406642807 /nfs/dbraw/zinc/64/28/07/406642807.db2.gz AFLSYVSUTRBVBG-UHFFFAOYSA-N 0 0 306.297 1.864 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 ZINC000005594855 406736596 /nfs/dbraw/zinc/73/65/96/406736596.db2.gz NNUAGAZLTMCWDO-UHFFFAOYSA-N 0 0 310.335 1.160 50 5 DDBARN NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069737887 406761880 /nfs/dbraw/zinc/76/18/80/406761880.db2.gz QTILDPAGFIBQRG-DUMNWFOQSA-N 0 0 321.308 1.471 50 5 DDBARN Cc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000003387402 406717768 /nfs/dbraw/zinc/71/77/68/406717768.db2.gz UJBFUCLAUIPZHC-LBPRGKRZSA-N 0 0 322.317 1.355 50 5 DDBARN Cc1nn(C(=O)c2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000003669104 406719394 /nfs/dbraw/zinc/71/93/94/406719394.db2.gz ZLOJHILFLYOZJL-UHFFFAOYSA-N 0 0 314.099 1.284 50 5 DDBARN O=C(NCCc1nnc2ccccn21)c1ccc([N+](=O)[O-])cc1 ZINC000011546127 406828796 /nfs/dbraw/zinc/82/87/96/406828796.db2.gz QAYLTGZSRSFHQD-UHFFFAOYSA-N 0 0 311.301 1.610 50 5 DDBARN Cc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1CCO ZINC000011905777 406832420 /nfs/dbraw/zinc/83/24/20/406832420.db2.gz BJXWPBBAAHMVJW-UHFFFAOYSA-N 0 0 321.358 1.814 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2nc(C)nc2C1 ZINC000072312244 406880544 /nfs/dbraw/zinc/88/05/44/406880544.db2.gz RRLVDQDIJFJYPA-UHFFFAOYSA-N 0 0 317.305 1.302 50 5 DDBARN O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000020649569 406887453 /nfs/dbraw/zinc/88/74/53/406887453.db2.gz RAXHUFOYCGQUQD-LBPRGKRZSA-N 0 0 320.349 1.065 50 5 DDBARN O=[N+]([O-])c1cccnc1NC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000025067434 406894686 /nfs/dbraw/zinc/89/46/86/406894686.db2.gz OAXSLFXQPPWCGU-GXTWGEPZSA-N 0 0 322.365 1.139 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CO ZINC000035207278 406970042 /nfs/dbraw/zinc/97/00/42/406970042.db2.gz FCAZCCCJIFRDTK-LBPRGKRZSA-N 0 0 314.363 1.439 50 5 DDBARN NC(=O)[C@@H](CNc1ccncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000075127648 406922110 /nfs/dbraw/zinc/92/21/10/406922110.db2.gz MINXHJSPBNWEHG-LLVKDONJSA-N 0 0 318.308 1.885 50 5 DDBARN CC(C)N1C[C@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000075128290 406922751 /nfs/dbraw/zinc/92/27/51/406922751.db2.gz JCOSSAIXPCBKKE-SECBINFHSA-N 0 0 309.297 1.929 50 5 DDBARN O=C(NC[C@@H]1CCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000045857509 407050698 /nfs/dbraw/zinc/05/06/98/407050698.db2.gz RSMGMWAROCRUPE-AWEZNQCLSA-N 0 0 316.317 1.689 50 5 DDBARN O=C([C@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048250380 407092051 /nfs/dbraw/zinc/09/20/51/407092051.db2.gz ZDPDAQDJIANYGM-CQSZACIVSA-N 0 0 305.334 1.422 50 5 DDBARN O=c1n2ccccc2nn1CCOc1ccc([N+](=O)[O-])cc1F ZINC000046877780 407065661 /nfs/dbraw/zinc/06/56/61/407065661.db2.gz DUJHBMWWAUGWTF-UHFFFAOYSA-N 0 0 318.264 1.622 50 5 DDBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCS(=O)(=O)C1 ZINC000089780852 407149041 /nfs/dbraw/zinc/14/90/41/407149041.db2.gz LBROUEFCLBYWIW-JTQLQIEISA-N 0 0 313.335 1.294 50 5 DDBARN O=C(NC[C@@H]1COCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000089807785 407151212 /nfs/dbraw/zinc/15/12/12/407151212.db2.gz HZIJOEXJLYOOSU-SNVBAGLBSA-N 0 0 305.290 1.221 50 5 DDBARN Cn1ncnc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000095980565 407220062 /nfs/dbraw/zinc/22/00/62/407220062.db2.gz WZRQLHVCGGZDIY-UHFFFAOYSA-N 0 0 313.115 1.493 50 5 DDBARN Cc1cc([N+](=O)[O-])cnc1NCCc1nnc2n1CCCC2 ZINC000096011420 407223905 /nfs/dbraw/zinc/22/39/05/407223905.db2.gz QHTKRMLCTQONHW-UHFFFAOYSA-N 0 0 302.338 1.881 50 5 DDBARN NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000096427356 407264818 /nfs/dbraw/zinc/26/48/18/407264818.db2.gz IXHYYLWWTOYCQQ-SSDOTTSWSA-N 0 0 314.139 1.669 50 5 DDBARN CCc1cnc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)o1 ZINC000096428803 407265077 /nfs/dbraw/zinc/26/50/77/407265077.db2.gz HKXFCXZMVROBCJ-UHFFFAOYSA-N 0 0 301.258 1.941 50 5 DDBARN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC000185698225 407477695 /nfs/dbraw/zinc/47/76/95/407477695.db2.gz NASHLDPGSFZWKA-SECBINFHSA-N 0 0 320.309 1.631 50 5 DDBARN O=C(NCc1nc2cc(F)ccc2[nH]1)c1c[nH]nc1[N+](=O)[O-] ZINC000170617955 407456643 /nfs/dbraw/zinc/45/66/43/407456643.db2.gz PAJWGCMZKIEHOO-UHFFFAOYSA-N 0 0 304.241 1.263 50 5 DDBARN CC(C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000408517752 418806879 /nfs/dbraw/zinc/80/68/79/418806879.db2.gz RLUFMVTYDQPMMD-ZDUSSCGKSA-N 0 0 310.354 1.095 50 5 DDBARN Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc2n(C)c1=O ZINC000004736758 279302469 /nfs/dbraw/zinc/30/24/69/279302469.db2.gz ZXNLAJIQGWNUOS-UHFFFAOYSA-N 0 0 312.285 1.207 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000053212 282168793 /nfs/dbraw/zinc/16/87/93/282168793.db2.gz SYNMVBLZDRPEQR-UHFFFAOYSA-N 0 0 301.711 1.990 50 5 DDBARN O=C1CCC(=O)N1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606382 185260088 /nfs/dbraw/zinc/26/00/88/185260088.db2.gz DIGCZFWESYYHOR-UHFFFAOYSA-N 0 0 303.318 1.102 50 5 DDBARN Cc1ccc(C(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000063307714 190696292 /nfs/dbraw/zinc/69/62/92/190696292.db2.gz IFNDZWZIMCHJQS-LBPRGKRZSA-N 0 0 320.301 1.666 50 5 DDBARN CNS(=O)(=O)c1ccc(N(C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000170615822 197791796 /nfs/dbraw/zinc/79/17/96/197791796.db2.gz NYBRSECNHUNDBF-GFCCVEGCSA-N 0 0 313.379 1.738 50 5 DDBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000003502637 181026866 /nfs/dbraw/zinc/02/68/66/181026866.db2.gz AREQEOUYVNWRQV-JTQLQIEISA-N 0 0 308.290 1.047 50 5 DDBARN O=C1NC(=S)NC1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005427508 181242374 /nfs/dbraw/zinc/24/23/74/181242374.db2.gz YUARHYGIDPYYIP-FLIBITNWSA-N 0 0 318.358 1.540 50 5 DDBARN O=C([C@@H]1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000071904082 296019096 /nfs/dbraw/zinc/01/90/96/296019096.db2.gz YPJDNKHFXVAVLZ-AWEZNQCLSA-N 0 0 305.334 1.422 50 5 DDBARN O=[N+]([O-])c1c(N2CCC[C@H](C3OCCO3)C2)nc2ccccn21 ZINC000060362948 184147352 /nfs/dbraw/zinc/14/73/52/184147352.db2.gz YREKFCHVXOJWEF-NSHDSACASA-N 0 0 318.333 1.832 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCn2ncnc21 ZINC000069560978 184525780 /nfs/dbraw/zinc/52/57/80/184525780.db2.gz AVJKQFVSULAHDG-UHFFFAOYSA-N 0 0 323.334 1.094 50 5 DDBARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000132861 406622583 /nfs/dbraw/zinc/62/25/83/406622583.db2.gz PYIQYGGHLDLQGJ-GFCCVEGCSA-N 0 0 315.289 1.648 50 5 DDBARN CCN1CCO[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000002438098 406686850 /nfs/dbraw/zinc/68/68/50/406686850.db2.gz IXIDKVIQJYBWLC-LBPRGKRZSA-N 0 0 307.306 1.171 50 5 DDBARN CCSC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002711385 406696991 /nfs/dbraw/zinc/69/69/91/406696991.db2.gz XVKIOJIUMGFCCW-UHFFFAOYSA-N 0 0 315.376 1.708 50 5 DDBARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000292539 406637662 /nfs/dbraw/zinc/63/76/62/406637662.db2.gz YLJXVEYHCWPYIA-LBPRGKRZSA-N 0 0 321.358 1.951 50 5 DDBARN Cc1nn(CCC(=O)N2C[C@H](C)OC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000069655694 406750712 /nfs/dbraw/zinc/75/07/12/406750712.db2.gz JLXFJQBRUDVQCK-JTQLQIEISA-N 0 0 324.381 1.824 50 5 DDBARN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCOCC1 ZINC000004798022 406728746 /nfs/dbraw/zinc/72/87/46/406728746.db2.gz GCUVVWNGVRLXHR-UHFFFAOYSA-N 0 0 309.322 1.142 50 5 DDBARN Cc1cnn(-c2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])c1 ZINC000004853946 406729406 /nfs/dbraw/zinc/72/94/06/406729406.db2.gz VHGLHKBRUFVAMC-UHFFFAOYSA-N 0 0 304.310 1.024 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000069841054 406778075 /nfs/dbraw/zinc/77/80/75/406778075.db2.gz VEIKBRKPJZJVFA-SNVBAGLBSA-N 0 0 321.312 1.224 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccc(=O)[nH]1 ZINC000009143481 406802914 /nfs/dbraw/zinc/80/29/14/406802914.db2.gz YGEGUYWJXPICKH-UHFFFAOYSA-N 0 0 320.330 1.717 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 ZINC000009685577 406813569 /nfs/dbraw/zinc/81/35/69/406813569.db2.gz AMENULKDKMORBU-UHFFFAOYSA-N 0 0 302.242 1.368 50 5 DDBARN COC(=O)[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000012856413 406853775 /nfs/dbraw/zinc/85/37/75/406853775.db2.gz ACQYYRCCBQUDRD-ZETCQYMHSA-N 0 0 311.246 1.084 50 5 DDBARN O=C(NCCNc1ncccn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000071899687 406863672 /nfs/dbraw/zinc/86/36/72/406863672.db2.gz SSPFZUADSWKUFW-UHFFFAOYSA-N 0 0 321.724 1.880 50 5 DDBARN CN1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000075143199 406924876 /nfs/dbraw/zinc/92/48/76/406924876.db2.gz GBFWVGFXVZGKED-JOAKQRRISA-N 0 0 307.281 1.094 50 5 DDBARN CN(C)C(=O)CN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029851270 406927903 /nfs/dbraw/zinc/92/79/03/406927903.db2.gz DXICXIYNBJBWBX-UHFFFAOYSA-N 0 0 320.393 1.191 50 5 DDBARN Cc1ccn2c(=O)cc(Cn3cc([N+](=O)[O-])ccc3=O)nc2c1 ZINC000031671785 406941768 /nfs/dbraw/zinc/94/17/68/406941768.db2.gz WKBTVMITTGPAQF-UHFFFAOYSA-N 0 0 312.285 1.121 50 5 DDBARN CCn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1=O ZINC000047181865 407070688 /nfs/dbraw/zinc/07/06/88/407070688.db2.gz VXTWDJZFTOKMKB-UHFFFAOYSA-N 0 0 301.302 1.958 50 5 DDBARN O=C(CCn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 ZINC000089690392 407144438 /nfs/dbraw/zinc/14/44/38/407144438.db2.gz NRAZYSUVRZQINO-UHFFFAOYSA-N 0 0 319.292 1.602 50 5 DDBARN CC(C)N1C(=O)CN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000095963086 407217895 /nfs/dbraw/zinc/21/78/95/407217895.db2.gz MCLWDMUXNCULPB-UHFFFAOYSA-N 0 0 309.370 1.123 50 5 DDBARN CCc1ccc([C@@H]2COCCN2c2ncc([N+](=O)[O-])c(N)n2)o1 ZINC000096453869 407269172 /nfs/dbraw/zinc/26/91/72/407269172.db2.gz FKVCQNRMUKVKGI-NSHDSACASA-N 0 0 319.321 1.700 50 5 DDBARN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)S(C)(=O)=O ZINC000170617923 407457176 /nfs/dbraw/zinc/45/71/76/407457176.db2.gz QKFKHKQLULSSFQ-UWVGGRQHSA-N 0 0 314.363 1.280 50 5 DDBARN COC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000408520323 418807700 /nfs/dbraw/zinc/80/77/00/418807700.db2.gz VGTQVLYOULDJAG-UHFFFAOYSA-N 0 0 324.318 1.587 50 5 DDBARN Cc1ccnc(N2CCC[C@H](c3nc(N)n[nH]3)C2)c1[N+](=O)[O-] ZINC000585141899 422312013 /nfs/dbraw/zinc/31/20/13/422312013.db2.gz IAPZAACXSYIOKH-VIFPVBQESA-N 0 0 303.326 1.383 50 5 DDBARN CC(=O)N1N=C2[C@@H]([C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC2CC1 ZINC000019732236 277021193 /nfs/dbraw/zinc/02/11/93/277021193.db2.gz QMRWUEGSQCBNKA-HOTGVXAUSA-N 0 0 314.345 1.948 50 5 DDBARN O=[N+]([O-])c1cnc(N[C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000095403249 280382160 /nfs/dbraw/zinc/38/21/60/280382160.db2.gz GRRUWXIHAWYYPX-ZETCQYMHSA-N 0 0 305.743 1.632 50 5 DDBARN CN(CC(F)F)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000097081295 289540389 /nfs/dbraw/zinc/54/03/89/289540389.db2.gz IZRCESPYCZKNQM-LLVKDONJSA-N 0 0 313.260 1.811 50 5 DDBARN NC(=O)C[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087221759 337377182 /nfs/dbraw/zinc/37/71/82/337377182.db2.gz XFTGNZWINOXPLJ-CYBMUJFWSA-N 0 0 319.361 1.784 50 5 DDBARN COC(=O)COc1ccc([N+](=O)[O-])c(OCC(=O)OC)c1C ZINC000670425885 484822960 /nfs/dbraw/zinc/82/29/60/484822960.db2.gz LMFRQKIWAHGQTM-UHFFFAOYSA-N 0 0 313.262 1.007 50 5 DDBARN COC(=O)/C=C/c1ccc(N[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000095997031 696603505 /nfs/dbraw/zinc/60/35/05/696603505.db2.gz PEGQPQNVROPNST-RXNUUUNCSA-N 0 0 305.290 1.081 50 5 DDBARN Cc1ccnc(N2CCC(Cc3nncn3C)CC2)c1[N+](=O)[O-] ZINC000952992464 721534004 /nfs/dbraw/zinc/53/40/04/721534004.db2.gz FJJVGUUACVVWGX-UHFFFAOYSA-N 0 0 316.365 1.886 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC23CCC3)cc1 ZINC000123703797 185834556 /nfs/dbraw/zinc/83/45/56/185834556.db2.gz PJPPZMHTWKTNAX-UHFFFAOYSA-N 0 0 312.347 1.538 50 5 DDBARN Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])c(N)n3)nc12 ZINC000075091865 353346489 /nfs/dbraw/zinc/34/64/89/353346489.db2.gz CAMVRWLGVLAIEX-UHFFFAOYSA-N 0 0 313.321 1.578 50 5 DDBARN Cc1nn(CCc2nc3c4ccccc4ncn3n2)cc1[N+](=O)[O-] ZINC000002807871 180960684 /nfs/dbraw/zinc/96/06/84/180960684.db2.gz OCKOFWCOTOKKNL-UHFFFAOYSA-N 0 0 323.316 1.933 50 5 DDBARN CCCCNC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003509569 181028325 /nfs/dbraw/zinc/02/83/25/181028325.db2.gz QAVBTRRWNVMDHM-UHFFFAOYSA-N 0 0 310.306 1.433 50 5 DDBARN CC1=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@](C)(O)C1 ZINC000004154615 181079040 /nfs/dbraw/zinc/07/90/40/181079040.db2.gz JXFJFLBGBGRSSJ-LBPRGKRZSA-N 0 0 308.250 1.433 50 5 DDBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 ZINC000005176951 181213835 /nfs/dbraw/zinc/21/38/35/181213835.db2.gz 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181629705 /nfs/dbraw/zinc/62/97/05/181629705.db2.gz MMNPVMDSOJEBIK-UHFFFAOYSA-N 0 0 318.351 1.308 50 5 DDBARN O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019233357 182111146 /nfs/dbraw/zinc/11/11/46/182111146.db2.gz AQPFXWDONFUCFG-UHFFFAOYSA-N 0 0 313.741 1.310 50 5 DDBARN COCCNc1ccc(C(=O)O[C@H](C)C(C)=O)cc1[N+](=O)[O-] ZINC000019422312 182122570 /nfs/dbraw/zinc/12/25/70/182122570.db2.gz DSTKZYNUJPMCNO-SNVBAGLBSA-N 0 0 310.306 1.787 50 5 DDBARN Cn1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cn1 ZINC000024585227 182384494 /nfs/dbraw/zinc/38/44/94/182384494.db2.gz RQAZKLUKCZRXPW-UHFFFAOYSA-N 0 0 313.277 1.161 50 5 DDBARN O=[N+]([O-])c1c(NCc2nnc3n2CCC3)nc2sccn21 ZINC000025005911 182398947 /nfs/dbraw/zinc/39/89/47/182398947.db2.gz QYRORPYKDBPRDW-UHFFFAOYSA-N 0 0 305.323 1.454 50 5 DDBARN CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000031930361 182629680 /nfs/dbraw/zinc/62/96/80/182629680.db2.gz UVZFNVXUVXURNS-AWEZNQCLSA-N 0 0 307.350 1.714 50 5 DDBARN COC(=O)[C@](C)(Cl)CS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000035323625 182770865 /nfs/dbraw/zinc/77/08/65/182770865.db2.gz FTOBSTQBIQDHFX-LLVKDONJSA-N 0 0 321.738 1.539 50 5 DDBARN C[S@](=O)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000110592496 194339794 /nfs/dbraw/zinc/33/97/94/194339794.db2.gz ZCPKPILANHUOKV-OAQYLSRUSA-N 0 0 311.363 1.660 50 5 DDBARN O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1c1ccccc1 ZINC000004558094 285016644 /nfs/dbraw/zinc/01/66/44/285016644.db2.gz FASUMANJBDEXRK-UHFFFAOYSA-N 0 0 304.283 1.944 50 5 DDBARN O=[N+]([O-])c1ccc(NC2CCN(c3ncccn3)CC2)nc1 ZINC000052159910 285134111 /nfs/dbraw/zinc/13/41/11/285134111.db2.gz JUZUMVXVQGJPQA-UHFFFAOYSA-N 0 0 300.322 1.861 50 5 DDBARN C[C@H]1C[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271643937 209087663 /nfs/dbraw/zinc/08/76/63/209087663.db2.gz YRUCMHNMICMPDL-NWDGAFQWSA-N 0 0 308.334 1.905 50 5 DDBARN COC(=O)C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000029165235 257269555 /nfs/dbraw/zinc/26/95/55/257269555.db2.gz 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406878161 /nfs/dbraw/zinc/87/81/61/406878161.db2.gz OZCLURFWYQNUFH-VHSXEESVSA-N 0 0 323.374 1.470 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3nccc32)cc1 ZINC000036619552 406981255 /nfs/dbraw/zinc/98/12/55/406981255.db2.gz CCHFQIJNDOMXMP-UHFFFAOYSA-N 0 0 308.319 1.390 50 5 DDBARN CCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC(C)C ZINC000036394284 406980619 /nfs/dbraw/zinc/98/06/19/406980619.db2.gz NQBRWNWOHMPUSZ-UHFFFAOYSA-N 0 0 309.366 1.820 50 5 DDBARN Cc1cnn(CCNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000084265296 407085896 /nfs/dbraw/zinc/08/58/96/407085896.db2.gz OOWDDBGNMRFTDY-UHFFFAOYSA-N 0 0 304.306 1.295 50 5 DDBARN O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000052901898 407160665 /nfs/dbraw/zinc/16/06/65/407160665.db2.gz NURKREYWLBYVGS-NWDGAFQWSA-N 0 0 310.281 1.016 50 5 DDBARN O=[N+]([O-])c1ccc2nc(N[C@@H]3CCS(=O)(=O)C3)sc2c1 ZINC000066451150 407250720 /nfs/dbraw/zinc/25/07/20/407250720.db2.gz HZDBKCDRSPHESA-SSDOTTSWSA-N 0 0 313.360 1.804 50 5 DDBARN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000096483358 407271739 /nfs/dbraw/zinc/27/17/39/407271739.db2.gz FJRSEEKQBWOHDW-SECBINFHSA-N 0 0 319.358 1.386 50 5 DDBARN C[C@@H]1CN(C[C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000195570848 274352660 /nfs/dbraw/zinc/35/26/60/274352660.db2.gz GIFDVNLPQKWKKR-JHJVBQTASA-N 0 0 321.381 1.463 50 5 DDBARN CNS(=O)(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 ZINC000048562013 277037329 /nfs/dbraw/zinc/03/73/29/277037329.db2.gz PEMFBWSDDIGXPH-UHFFFAOYSA-N 0 0 317.392 1.056 50 5 DDBARN COC(=O)c1ccc(I)cc1[N+](=O)[O-] ZINC000117419966 484031226 /nfs/dbraw/zinc/03/12/26/484031226.db2.gz BOKIFDFIGLFMFY-UHFFFAOYSA-N 0 0 307.043 1.986 50 5 DDBARN CCOC[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000328597060 528936599 /nfs/dbraw/zinc/93/65/99/528936599.db2.gz CZIPJCRLRGKVCK-RISCZKNCSA-N 0 0 308.334 1.513 50 5 DDBARN CC(C)(C)OC(=O)[C@H]1COCCN1c1ncccc1[N+](=O)[O-] ZINC000585092750 771941853 /nfs/dbraw/zinc/94/18/53/771941853.db2.gz 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181300565 /nfs/dbraw/zinc/30/05/65/181300565.db2.gz CDZKSZGLNIFIGM-ARJAWSKDSA-N 0 0 322.317 1.484 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ncon2)c1 ZINC000281461750 216316722 /nfs/dbraw/zinc/31/67/22/216316722.db2.gz FVZTXYHSSUWYFL-JTQLQIEISA-N 0 0 320.305 1.933 50 5 DDBARN Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(Cc1ccccc1)c3=O ZINC000008997696 283673939 /nfs/dbraw/zinc/67/39/39/283673939.db2.gz IAKBSNDVBJFVLA-UHFFFAOYSA-N 0 0 319.324 1.676 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C=C[C@H](CO)C1 ZINC000095976837 193471349 /nfs/dbraw/zinc/47/13/49/193471349.db2.gz OWMDLGOBMBVIKA-GXSJLCMTSA-N 0 0 310.737 1.844 50 5 DDBARN O=[N+]([O-])c1ccc(/C=C/c2cnc(N3CCOCC3)nc2)nc1 ZINC000096460607 193657383 /nfs/dbraw/zinc/65/73/83/193657383.db2.gz FMNAJYPHHMCSEV-OWOJBTEDSA-N 0 0 313.317 1.787 50 5 DDBARN Cc1ccc(C(=O)NCCNc2cnccn2)cc1[N+](=O)[O-] ZINC000040505004 183085382 /nfs/dbraw/zinc/08/53/82/183085382.db2.gz NIJNEGOHXCHXED-UHFFFAOYSA-N 0 0 301.306 1.535 50 5 DDBARN CN(C)C(=O)c1cccc(NC(=O)Cn2nccc2[N+](=O)[O-])c1 ZINC000057515990 184040708 /nfs/dbraw/zinc/04/07/08/184040708.db2.gz ADJMATJPPPXNML-UHFFFAOYSA-N 0 0 317.305 1.132 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H]1C ZINC000058150997 184081307 /nfs/dbraw/zinc/08/13/07/184081307.db2.gz IBEFCJGBGUOTNP-LBPRGKRZSA-N 0 0 307.350 1.953 50 5 DDBARN O=c1c2cc([N+](=O)[O-])ccc2oc2nc3n(c(=O)c12)CCS3 ZINC000000528397 285209461 /nfs/dbraw/zinc/20/94/61/285209461.db2.gz YCLOZAPBNIBINK-UHFFFAOYSA-N 0 0 317.282 1.517 50 5 DDBARN COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(OC)c1OC ZINC000000036487 406614703 /nfs/dbraw/zinc/61/47/03/406614703.db2.gz FAEBZOJHRLNECM-NOZJJQNGSA-N 0 0 310.306 1.309 50 5 DDBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(N)=O)n1 ZINC000001432485 406669817 /nfs/dbraw/zinc/66/98/17/406669817.db2.gz ZRRQLKGRQMLYHO-UHFFFAOYSA-N 0 0 303.278 1.162 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000069310308 406695708 /nfs/dbraw/zinc/69/57/08/406695708.db2.gz 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/nfs/dbraw/zinc/44/65/38/418446538.db2.gz QGHBHBJAMXSCLK-JQWIXIFHSA-N 0 0 305.334 1.593 50 5 DDBARN Cc1ccnc(N2CCC(c3nc(N)n[nH]3)CC2)c1[N+](=O)[O-] ZINC000585142400 422311310 /nfs/dbraw/zinc/31/13/10/422311310.db2.gz WGXKUIHNZOUYNX-UHFFFAOYSA-N 0 0 303.326 1.383 50 5 DDBARN COc1ncnc2c1N[C@H](NO)c1cc([N+](=O)[O-])ccc1S2 ZINC000012389993 278099534 /nfs/dbraw/zinc/09/95/34/278099534.db2.gz HEXASBGZOYSWEH-SNVBAGLBSA-N 0 0 321.318 1.948 50 5 DDBARN C[C@@H]1CCCN(c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])C1 ZINC000004922456 278484570 /nfs/dbraw/zinc/48/45/70/278484570.db2.gz KNJUATXSDNXOIH-LLVKDONJSA-N 0 0 303.322 1.650 50 5 DDBARN O=[N+]([O-])c1cccnc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000025067414 304811473 /nfs/dbraw/zinc/81/14/73/304811473.db2.gz OAXSLFXQPPWCGU-OCCSQVGLSA-N 0 0 322.365 1.139 50 5 DDBARN CCOC[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000328597059 529028655 /nfs/dbraw/zinc/02/86/55/529028655.db2.gz CZIPJCRLRGKVCK-FZMZJTMJSA-N 0 0 308.334 1.513 50 5 DDBARN CC(C)[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(N)=O ZINC000863981659 706049887 /nfs/dbraw/zinc/04/98/87/706049887.db2.gz FFRZEPHWYUUVPR-SNVBAGLBSA-N 0 0 317.704 1.627 50 5 DDBARN CC(C)[C@H]1CN(CCn2cc(Cl)c([N+](=O)[O-])n2)CCO1 ZINC000585133843 771963797 /nfs/dbraw/zinc/96/37/97/771963797.db2.gz XIHBJUTUGSPJCM-LLVKDONJSA-N 0 0 302.762 1.802 50 5 DDBARN CCN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000096794935 185388445 /nfs/dbraw/zinc/38/84/45/185388445.db2.gz MGMBLEVPRQHANI-AWEZNQCLSA-N 0 0 321.377 1.712 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CCO)CCC1 ZINC000095462031 185370831 /nfs/dbraw/zinc/37/08/31/185370831.db2.gz SOJHYJNQZHLMHT-UHFFFAOYSA-N 0 0 314.363 1.487 50 5 DDBARN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000107144993 185469765 /nfs/dbraw/zinc/46/97/65/185469765.db2.gz ZLLCHMBWSIMHGJ-DGCLKSJQSA-N 0 0 318.333 1.440 50 5 DDBARN Nc1nnc(Sc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)s1 ZINC000003120011 180982923 /nfs/dbraw/zinc/98/29/23/180982923.db2.gz UCLNTKNHNVUWQH-UHFFFAOYSA-N 0 0 323.315 1.063 50 5 DDBARN CN(C)C(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097095518 353917346 /nfs/dbraw/zinc/91/73/46/353917346.db2.gz XZUQRHFOWNSSFN-UHFFFAOYSA-N 0 0 313.741 1.846 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccnc1 ZINC000004116677 181075628 /nfs/dbraw/zinc/07/56/28/181075628.db2.gz UJBQAMLGEHHEGR-UHFFFAOYSA-N 0 0 307.331 1.777 50 5 DDBARN Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248375 181087626 /nfs/dbraw/zinc/08/76/26/181087626.db2.gz QRGKSZNKSIPJRJ-UHFFFAOYSA-N 0 0 319.229 1.719 50 5 DDBARN O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCCCCC1 ZINC000004808468 181154929 /nfs/dbraw/zinc/15/49/29/181154929.db2.gz DKOQWLZWNFTSNX-UHFFFAOYSA-N 0 0 303.322 1.794 50 5 DDBARN O=C(NCc1ccccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005251430 181222185 /nfs/dbraw/zinc/22/21/85/181222185.db2.gz XNPQKLLTJFFOTK-UHFFFAOYSA-N 0 0 317.276 1.989 50 5 DDBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000040504980 283368120 /nfs/dbraw/zinc/36/81/20/283368120.db2.gz BBGLSZKHMHGTMV-ZETCQYMHSA-N 0 0 318.255 1.867 50 5 DDBARN CCc1c(C)sc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1C(N)=O ZINC000006412688 181339323 /nfs/dbraw/zinc/33/93/23/181339323.db2.gz PYNXBTOBJBTQCC-UHFFFAOYSA-N 0 0 323.334 1.601 50 5 DDBARN NC(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000012735843 181791543 /nfs/dbraw/zinc/79/15/43/181791543.db2.gz NOYGQHHUYRKERA-JTQLQIEISA-N 0 0 319.317 1.550 50 5 DDBARN COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)C)cc1OC ZINC000022021292 182304703 /nfs/dbraw/zinc/30/47/03/182304703.db2.gz BNMVBUJVSBCVKX-UHFFFAOYSA-N 0 0 312.322 1.767 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccccc2C)c1 ZINC000041744006 183218504 /nfs/dbraw/zinc/21/85/04/183218504.db2.gz ZRELWOUZIHXSTL-UHFFFAOYSA-N 0 0 302.286 1.900 50 5 DDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000106096679 194185747 /nfs/dbraw/zinc/18/57/47/194185747.db2.gz GYJQTSBVQZWZCD-RBSFLKMASA-N 0 0 304.346 1.624 50 5 DDBARN Nc1nc(NC[C@@H]2COc3ccccc3O2)ncc1[N+](=O)[O-] ZINC000058194206 184086736 /nfs/dbraw/zinc/08/67/36/184086736.db2.gz SCYGOHLZGQNSPL-MRVPVSSYSA-N 0 0 303.278 1.219 50 5 DDBARN C[C@H]1C[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000058308923 184103797 /nfs/dbraw/zinc/10/37/97/184103797.db2.gz APSRSNWYZIMRSK-ONGXEEELSA-N 0 0 302.290 1.988 50 5 DDBARN CNC(=O)c1ccc(N[C@@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000060378017 184147482 /nfs/dbraw/zinc/14/74/82/184147482.db2.gz USZGLEDWXGXNQM-LLVKDONJSA-N 0 0 320.349 1.376 50 5 DDBARN C[C@@H]1CC(=O)NCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000071889426 184890124 /nfs/dbraw/zinc/89/01/24/184890124.db2.gz CPKHVHKQMKTAAW-SNVBAGLBSA-N 0 0 300.318 1.858 50 5 DDBARN Cc1nc(NC[C@@H]2CCCO2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000049025934 134754788 /nfs/dbraw/zinc/75/47/88/134754788.db2.gz AZZYISXSKXDPAD-NSHDSACASA-N 0 0 323.353 1.121 50 5 DDBARN COC(=O)CS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000000169941 406627246 /nfs/dbraw/zinc/62/72/46/406627246.db2.gz YGEHDCKICFQHGT-SECBINFHSA-N 0 0 317.344 1.329 50 5 DDBARN O=c1c[n+]([O-])c2ccccc2n1OCc1ccc([N+](=O)[O-])cc1 ZINC000002845371 406704111 /nfs/dbraw/zinc/70/41/11/406704111.db2.gz AKCITDWRPMOALV-UHFFFAOYSA-N 0 0 313.269 1.172 50 5 DDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)N1CCCC1 ZINC000002661189 406696701 /nfs/dbraw/zinc/69/67/01/406696701.db2.gz UXRODFJYPBYMBY-BQYQJAHWSA-N 0 0 304.302 1.774 50 5 DDBARN COC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002779364 406698642 /nfs/dbraw/zinc/69/86/42/406698642.db2.gz JVHCJGKDVFLBER-NSHDSACASA-N 0 0 312.347 1.619 50 5 DDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC000003263587 406716982 /nfs/dbraw/zinc/71/69/82/406716982.db2.gz GQBFFSLYXUFBEW-UHFFFAOYSA-N 0 0 304.258 1.661 50 5 DDBARN O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000069519249 406728949 /nfs/dbraw/zinc/72/89/49/406728949.db2.gz IWNRHEQOFWTQKY-UHFFFAOYSA-N 0 0 315.333 1.866 50 5 DDBARN Nc1cccc2c1C(=O)N(C(=O)c1ccccc1[N+](=O)[O-])C2=O ZINC000008166231 406779189 /nfs/dbraw/zinc/77/91/89/406779189.db2.gz UEJZTQQIJLASHO-UHFFFAOYSA-N 0 0 311.253 1.613 50 5 DDBARN CCCCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000008203719 406780925 /nfs/dbraw/zinc/78/09/25/406780925.db2.gz VUNCOGZPKUGHHG-UHFFFAOYSA-N 0 0 309.322 1.640 50 5 DDBARN C[C@H]1CCCN([C@]2(O)c3cc([N+](=O)[O-])ccc3N(C)C2=O)C1 ZINC000015016993 406878634 /nfs/dbraw/zinc/87/86/34/406878634.db2.gz QCRYIEAIXFKWNH-BONVTDFDSA-N 0 0 305.334 1.448 50 5 DDBARN CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347074 406905059 /nfs/dbraw/zinc/90/50/59/406905059.db2.gz INQWIBUHBJTPON-JTQLQIEISA-N 0 0 308.338 1.261 50 5 DDBARN C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CCC1 ZINC000037520883 406990686 /nfs/dbraw/zinc/99/06/86/406990686.db2.gz BFAOXTDZCHGRCO-LLVKDONJSA-N 0 0 317.345 1.959 50 5 DDBARN CCc1ccc([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000048222636 407091240 /nfs/dbraw/zinc/09/12/40/407091240.db2.gz JGCBZWSMARHCPF-SNVBAGLBSA-N 0 0 303.322 1.626 50 5 DDBARN CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000048333750 407094820 /nfs/dbraw/zinc/09/48/20/407094820.db2.gz AFRICNPCGFDLKI-LBPRGKRZSA-N 0 0 321.333 1.946 50 5 DDBARN CN1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000091028888 407174826 /nfs/dbraw/zinc/17/48/26/407174826.db2.gz JHJVDQQBZFZELM-UHFFFAOYSA-N 0 0 317.342 1.060 50 5 DDBARN COc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(=S)n2C)c1 ZINC000066625747 407255944 /nfs/dbraw/zinc/25/59/44/407255944.db2.gz BVFNCCBDLLREPO-UHFFFAOYSA-N 0 0 323.334 1.324 50 5 DDBARN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000095978571 407220222 /nfs/dbraw/zinc/22/02/22/407220222.db2.gz BQNIGSVPEOJCBO-CQSZACIVSA-N 0 0 307.350 1.890 50 5 DDBARN Cn1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccco1 ZINC000096450920 407268273 /nfs/dbraw/zinc/26/82/73/407268273.db2.gz JQQPCHPTFXJMMH-UHFFFAOYSA-N 0 0 320.334 1.972 50 5 DDBARN Cc1nc2[nH]c(NCc3cccc([N+](=O)[O-])c3)nn2c(=O)c1C ZINC000101262552 407309097 /nfs/dbraw/zinc/30/90/97/407309097.db2.gz IPXSDBHTMZRCPB-UHFFFAOYSA-N 0 0 314.305 1.555 50 5 DDBARN CCN1C[C@H](CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])Oc2ccccc21 ZINC000239591361 222210474 /nfs/dbraw/zinc/21/04/74/222210474.db2.gz BBCCMERGBBIIHZ-OUCADQQQSA-N 0 0 319.361 1.398 50 5 DDBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000101356609 274655060 /nfs/dbraw/zinc/65/50/60/274655060.db2.gz KSFCXQHZDYXHJQ-CRJCFHLZSA-N 0 0 314.297 1.818 50 5 DDBARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000239432739 279178603 /nfs/dbraw/zinc/17/86/03/279178603.db2.gz WGQIDENZQJCDIA-YXMPFFBPSA-N 0 0 300.270 1.428 50 5 DDBARN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@H]1O ZINC000078997046 185143205 /nfs/dbraw/zinc/14/32/05/185143205.db2.gz UHKCRJDMLZAOMZ-WBVHZDCISA-N 0 0 312.325 1.912 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2ccncc2)C1 ZINC000328593372 231234574 /nfs/dbraw/zinc/23/45/74/231234574.db2.gz IBUSZHXNCARHFT-CYBMUJFWSA-N 0 0 315.333 1.593 50 5 DDBARN Cc1nn(C)c(Sc2n[nH]c(-c3ccncc3)n2)c1[N+](=O)[O-] ZINC000095397320 185353363 /nfs/dbraw/zinc/35/33/63/185353363.db2.gz IZXIBQAUTAVGSH-UHFFFAOYSA-N 0 0 317.334 1.968 50 5 DDBARN CCCc1n[nH]c(C(=O)NCc2nncn2C2CC2)c1[N+](=O)[O-] ZINC000072283364 191104198 /nfs/dbraw/zinc/10/41/98/191104198.db2.gz KHCXZYHTTZTTHP-UHFFFAOYSA-N 0 0 319.325 1.127 50 5 DDBARN COC(=O)c1cc(C(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000000060831 180680668 /nfs/dbraw/zinc/68/06/68/180680668.db2.gz WDFMNNPFDGBHGU-LBPRGKRZSA-N 0 0 308.290 1.290 50 5 DDBARN C[C@@H]1COc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000072531915 191187896 /nfs/dbraw/zinc/18/78/96/191187896.db2.gz NNNXMFBNUYRRKR-LLVKDONJSA-N 0 0 316.317 1.996 50 5 DDBARN NNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000297651 180750914 /nfs/dbraw/zinc/75/09/14/180750914.db2.gz OPHPHFDWAMEXTM-UHFFFAOYSA-N 0 0 309.303 1.539 50 5 DDBARN Cc1nn(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1[N+](=O)[O-] ZINC000002884406 180966939 /nfs/dbraw/zinc/96/69/39/180966939.db2.gz QWAKNPGZPJQQJX-UHFFFAOYSA-N 0 0 317.305 1.146 50 5 DDBARN CCOC(=O)[C@@](C)(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136032144 354116245 /nfs/dbraw/zinc/11/62/45/354116245.db2.gz FUWMYHHRQWFGBY-ZDUSSCGKSA-N 0 0 310.262 1.913 50 5 DDBARN Nc1nc(NCc2ccco2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000005142035 181208750 /nfs/dbraw/zinc/20/87/50/181208750.db2.gz JLQKIPRBSDZAAV-UHFFFAOYSA-N 0 0 304.310 1.772 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccccn1 ZINC000006820114 181395113 /nfs/dbraw/zinc/39/51/13/181395113.db2.gz OURWGPUHERMBFT-UHFFFAOYSA-N 0 0 307.331 1.511 50 5 DDBARN CC(C)NS(=O)(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 ZINC000023990870 182371477 /nfs/dbraw/zinc/37/14/77/182371477.db2.gz JBJBEJODWFNQEU-UHFFFAOYSA-N 0 0 317.367 1.076 50 5 DDBARN CC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1 ZINC000026966939 182459720 /nfs/dbraw/zinc/45/97/20/182459720.db2.gz PJOLEXZMXOPCSO-AWEZNQCLSA-N 0 0 303.274 1.945 50 5 DDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000106526802 194225027 /nfs/dbraw/zinc/22/50/27/194225027.db2.gz FBXZUWIEIZAUPJ-OASPWFOLSA-N 0 0 300.318 1.892 50 5 DDBARN CS(=O)(=O)N[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000131427876 286621036 /nfs/dbraw/zinc/62/10/36/286621036.db2.gz TYTZISBEXAMMBL-SECBINFHSA-N 0 0 317.342 1.252 50 5 DDBARN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CCOCC1 ZINC000069077020 406679737 /nfs/dbraw/zinc/67/97/37/406679737.db2.gz GTBFXNVGPDGOAO-UHFFFAOYSA-N 0 0 309.322 1.452 50 5 DDBARN C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000069394256 406704624 /nfs/dbraw/zinc/70/46/24/406704624.db2.gz TWFXORHIOLTYER-NSHDSACASA-N 0 0 315.333 1.844 50 5 DDBARN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccncc1 ZINC000069149191 406685942 /nfs/dbraw/zinc/68/59/42/406685942.db2.gz JNOJJOIGPDVPCJ-UHFFFAOYSA-N 0 0 316.317 1.868 50 5 DDBARN Nc1nc(NC[C@H]2CCc3ccccc3N2)ncc1[N+](=O)[O-] ZINC000069533915 406731478 /nfs/dbraw/zinc/73/14/78/406731478.db2.gz 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DDBARN O=C(NCc1ccco1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000097081104 407278509 /nfs/dbraw/zinc/27/85/09/407278509.db2.gz KSZYKYFSIRVPPV-CQSZACIVSA-N 0 0 315.285 1.997 50 5 DDBARN CN(CC1(O)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000127939771 407480287 /nfs/dbraw/zinc/48/02/87/407480287.db2.gz GOCUFMKAVGSIFT-UHFFFAOYSA-N 0 0 314.363 1.520 50 5 DDBARN COC(=O)[C@]1(C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000239782430 407904998 /nfs/dbraw/zinc/90/49/98/407904998.db2.gz COMSDNYODOBYME-RFAUZJTJSA-N 0 0 321.333 1.448 50 5 DDBARN C[C@@H]1CN(C[C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195570849 274352579 /nfs/dbraw/zinc/35/25/79/274352579.db2.gz GIFDVNLPQKWKKR-FRRDWIJNSA-N 0 0 321.381 1.463 50 5 DDBARN CC[C@@H](C)[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O ZINC000084721404 483999568 /nfs/dbraw/zinc/99/95/68/483999568.db2.gz LBQBHKQALAQANF-PELKAZGASA-N 0 0 308.338 1.266 50 5 DDBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1S(=O)(=O)c1ccnn1C ZINC000585129084 771960748 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O=[N+]([O-])c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 ZINC000000504351 406652564 /nfs/dbraw/zinc/65/25/64/406652564.db2.gz GSDGOGPUQYPXJU-GFCCVEGCSA-N 0 0 314.301 1.779 50 5 DDBARN CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1[N+](=O)[O-] ZINC000000557804 406656563 /nfs/dbraw/zinc/65/65/63/406656563.db2.gz YFCYTFAJJOUZEN-UHFFFAOYSA-N 0 0 306.282 1.252 50 5 DDBARN NC(=O)c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000001055496 406662658 /nfs/dbraw/zinc/66/26/58/406662658.db2.gz WRPSNTKKYWGJBO-UHFFFAOYSA-N 0 0 305.315 1.936 50 5 DDBARN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000001442227 406669664 /nfs/dbraw/zinc/66/96/64/406669664.db2.gz PRIVOAVAFMUNKE-YPMHNXCESA-N 0 0 322.342 1.481 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)CCC1=O ZINC000002866812 406705550 /nfs/dbraw/zinc/70/55/50/406705550.db2.gz RFVUKEZCMPXNHZ-UHFFFAOYSA-N 0 0 319.317 1.771 50 5 DDBARN CN1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004818913 406729915 /nfs/dbraw/zinc/72/99/15/406729915.db2.gz 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406953015 /nfs/dbraw/zinc/95/30/15/406953015.db2.gz GVERSGCDWWASAR-GFCCVEGCSA-N 0 0 318.337 1.510 50 5 DDBARN COc1ccc(C2=CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000053772721 407174087 /nfs/dbraw/zinc/17/40/87/407174087.db2.gz GFSKTBRKEWFLHZ-LSDHHAIUSA-N 0 0 302.330 1.976 50 5 DDBARN Cn1ccnc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000095976059 407219267 /nfs/dbraw/zinc/21/92/67/407219267.db2.gz MNCCCDWRCWVWBM-UHFFFAOYSA-N 0 0 303.322 1.370 50 5 DDBARN CCc1ccc([C@H](COC)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])o1 ZINC000096423859 407263994 /nfs/dbraw/zinc/26/39/94/407263994.db2.gz WGFMIGGYOSMYMS-JTQLQIEISA-N 0 0 322.321 1.899 50 5 DDBARN C[C@@H](CN(C)C(=O)c1c([N+](=O)[O-])cnn1C)c1nccs1 ZINC000097108154 407280564 /nfs/dbraw/zinc/28/05/64/407280564.db2.gz FZKVYNNDLMDWDA-QMMMGPOBSA-N 0 0 309.351 1.661 50 5 DDBARN CC(C)Cn1ncnc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000097233421 407289345 /nfs/dbraw/zinc/28/93/45/407289345.db2.gz FJUPNDKZFRTSDE-UHFFFAOYSA-N 0 0 311.729 1.706 50 5 DDBARN O=C1O[C@@H](C[N+](=O)[O-])C(Br)=C1Oc1ccccc1 ZINC000100049896 407307129 /nfs/dbraw/zinc/30/71/29/407307129.db2.gz PUHWWEDNPGAPRR-QMMMGPOBSA-N 0 0 314.091 1.874 50 5 DDBARN CCn1c(=N)c(C(=O)OC)cc2c1nc1ccc(C)cn1c2=O ZINC000100627700 407308211 /nfs/dbraw/zinc/30/82/11/407308211.db2.gz MWTZJEQXWZFMPG-UHFFFAOYSA-N 0 0 312.329 1.244 50 5 DDBARN Cc1ccc2[nH]nc(C(=O)OCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000170604715 407450510 /nfs/dbraw/zinc/45/05/10/407450510.db2.gz WLYXFXORKJHKMK-UHFFFAOYSA-N 0 0 315.289 1.833 50 5 DDBARN O=C1[C@@H](Oc2cccnc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000159279922 408397338 /nfs/dbraw/zinc/39/73/38/408397338.db2.gz OBMDPNCOORLPLV-VIFPVBQESA-N 0 0 319.239 1.922 50 5 DDBARN Cc1ccc(CN2CC[C@H](C)S(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000192049479 408535269 /nfs/dbraw/zinc/53/52/69/408535269.db2.gz WJPHYKFVNDRNTQ-LBPRGKRZSA-N 0 0 312.391 1.912 50 5 DDBARN CC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000028036193 287205647 /nfs/dbraw/zinc/20/56/47/287205647.db2.gz 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CN(C)S(=O)(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000225593298 186281152 /nfs/dbraw/zinc/28/11/52/186281152.db2.gz UNKPKCDVVJHCOZ-UHFFFAOYSA-N 0 0 312.307 1.036 50 5 DDBARN CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 ZINC000002760685 180952725 /nfs/dbraw/zinc/95/27/25/180952725.db2.gz YFLCQNSFXRWXDO-SNVBAGLBSA-N 0 0 300.336 1.389 50 5 DDBARN CCOC(=O)[C@@H](NC(=O)CC)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000002907549 180969371 /nfs/dbraw/zinc/96/93/71/180969371.db2.gz NOSQYOWEBITMLS-STQMWFEESA-N 0 0 310.306 1.086 50 5 DDBARN O=[N+]([O-])c1ccc(O[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000003240128 180994862 /nfs/dbraw/zinc/99/48/62/180994862.db2.gz UIMXNDCYXXUKEJ-MRVPVSSYSA-N 0 0 302.264 1.069 50 5 DDBARN Nc1cccc2c1C(=O)N(C(=O)c1cccc([N+](=O)[O-])c1)C2=O ZINC000003337975 181007456 /nfs/dbraw/zinc/00/74/56/181007456.db2.gz CFYFCQTYAQHHMR-UHFFFAOYSA-N 0 0 311.253 1.613 50 5 DDBARN COc1ccccc1CN(C)C(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000193877362 354292526 /nfs/dbraw/zinc/29/25/26/354292526.db2.gz NXAXEXBRQABUJB-UHFFFAOYSA-N 0 0 318.333 1.767 50 5 DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000071011 283744111 /nfs/dbraw/zinc/74/41/11/283744111.db2.gz MXNZAGCNJDBAQG-LLVKDONJSA-N 0 0 316.277 1.043 50 5 DDBARN O=C([C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009157391 296112039 /nfs/dbraw/zinc/11/20/39/296112039.db2.gz IXEGXGFEJGITLJ-CQSZACIVSA-N 0 0 305.334 1.422 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000010233837 181661604 /nfs/dbraw/zinc/66/16/04/181661604.db2.gz KFMZKZOZQOQSSY-LLVKDONJSA-N 0 0 300.336 1.361 50 5 DDBARN Cc1ccc(S(=O)(=O)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020407193 182215253 /nfs/dbraw/zinc/21/52/53/182215253.db2.gz IJNWRHPNIXOOJH-UHFFFAOYSA-N 0 0 314.363 1.009 50 5 DDBARN CC(C)(C)NS(=O)(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000020666755 182241965 /nfs/dbraw/zinc/24/19/65/182241965.db2.gz WEOFSJXYVSYEGA-UHFFFAOYSA-N 0 0 324.362 1.857 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NC(=O)c2ccc[nH]2)c1 ZINC000040501970 183084515 /nfs/dbraw/zinc/08/45/15/183084515.db2.gz YGCBKZZPXKDFHK-UHFFFAOYSA-N 0 0 303.274 1.567 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1C(=O)c1nn(C)cc1Br ZINC000000076921 406618346 /nfs/dbraw/zinc/61/83/46/406618346.db2.gz YWNGYFRGJXXCAI-UHFFFAOYSA-N 0 0 314.099 1.284 50 5 DDBARN COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000000082041 406619442 /nfs/dbraw/zinc/61/94/42/406619442.db2.gz KFMZVNMQKWRVHI-LLVKDONJSA-N 0 0 304.302 1.954 50 5 DDBARN O=C(CNC(=O)c1ccco1)OCc1cccc([N+](=O)[O-])c1 ZINC000000466885 406651544 /nfs/dbraw/zinc/65/15/44/406651544.db2.gz BXVCMSLKQZXOED-UHFFFAOYSA-N 0 0 304.258 1.661 50 5 DDBARN Cc1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000001049949 406661205 /nfs/dbraw/zinc/66/12/05/406661205.db2.gz DSLHGAGNBVJENP-LLVKDONJSA-N 0 0 323.374 1.687 50 5 DDBARN CC1=NN(C(=O)C(F)(F)F)[C@](O)(c2cccc([N+](=O)[O-])c2)C1 ZINC000000301914 406640620 /nfs/dbraw/zinc/64/06/20/406640620.db2.gz RWOOLULWEDILJC-LLVKDONJSA-N 0 0 317.223 1.910 50 5 DDBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1 ZINC000009357325 406806714 /nfs/dbraw/zinc/80/67/14/406806714.db2.gz MIQPRJLDVRECPY-UHFFFAOYSA-N 0 0 320.309 1.123 50 5 DDBARN COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000078551780 407033712 /nfs/dbraw/zinc/03/37/12/407033712.db2.gz FZMZPIHEUVTRFA-JTQLQIEISA-N 0 0 311.269 1.903 50 5 DDBARN COC(=O)C(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000045958519 407052128 /nfs/dbraw/zinc/05/21/28/407052128.db2.gz XLDLOGTZEVFMDC-UHFFFAOYSA-N 0 0 316.335 1.133 50 5 DDBARN CC(C)CO[C@H](C)c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000089840266 407153400 /nfs/dbraw/zinc/15/34/00/407153400.db2.gz NCNNUYLOBILLBJ-SNVBAGLBSA-N 0 0 322.321 1.921 50 5 DDBARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000052992342 407162077 /nfs/dbraw/zinc/16/20/77/407162077.db2.gz HWEIUQRIXPKKRB-KBPBESRZSA-N 0 0 323.393 1.339 50 5 DDBARN CC(C)=CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096418808 407263247 /nfs/dbraw/zinc/26/32/47/407263247.db2.gz HYHODHKTWGBRMZ-UHFFFAOYSA-N 0 0 317.345 1.845 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@@H](O)Cc2ccccc2C(F)(F)F)n1 ZINC000095438928 407214424 /nfs/dbraw/zinc/21/44/24/407214424.db2.gz NKCUMJIQBCGRLL-VIFPVBQESA-N 0 0 316.239 1.809 50 5 DDBARN Cc1nn(C)c(Sc2nnc(CN3CCCC3)o2)c1[N+](=O)[O-] ZINC000095959764 407217712 /nfs/dbraw/zinc/21/77/12/407217712.db2.gz HORKXQMOUDFJGT-UHFFFAOYSA-N 0 0 324.366 1.767 50 5 DDBARN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000095978570 407220535 /nfs/dbraw/zinc/22/05/35/407220535.db2.gz BQNIGSVPEOJCBO-AWEZNQCLSA-N 0 0 307.350 1.890 50 5 DDBARN CN(C)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000096005608 407222648 /nfs/dbraw/zinc/22/26/48/407222648.db2.gz BZKPURLBRGIYDU-LLVKDONJSA-N 0 0 303.278 1.910 50 5 DDBARN Cc1ccccc1-c1noc(=O)n1CCn1cc([N+](=O)[O-])cn1 ZINC000096444866 407267604 /nfs/dbraw/zinc/26/76/04/407267604.db2.gz HNGHHDVQTVOJOM-UHFFFAOYSA-N 0 0 315.289 1.617 50 5 DDBARN CN(Cc1ccc([S@@](C)=O)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000096453910 407269234 /nfs/dbraw/zinc/26/92/34/407269234.db2.gz DPLFIEOFXZXAMK-QFIPXVFZSA-N 0 0 321.362 1.341 50 5 DDBARN CC(C)(O)CN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000097034129 407276061 /nfs/dbraw/zinc/27/60/61/407276061.db2.gz LHDPURWPWGJJNN-UHFFFAOYSA-N 0 0 318.333 1.731 50 5 DDBARN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC000097047991 407276590 /nfs/dbraw/zinc/27/65/90/407276590.db2.gz JNIWXRQRMJNCRT-GWCFXTLKSA-N 0 0 316.317 1.992 50 5 DDBARN COCCN(CC(=O)OC)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097315702 407291236 /nfs/dbraw/zinc/29/12/36/407291236.db2.gz ZNCCVQYZWGZOOE-SREVYHEPSA-N 0 0 322.317 1.256 50 5 DDBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000067980086 407293131 /nfs/dbraw/zinc/29/31/31/407293131.db2.gz IAUHKZFOAYMWLF-SSDOTTSWSA-N 0 0 302.283 1.107 50 5 DDBARN O=C1C(N2CCOCC2)=CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000100004338 407307171 /nfs/dbraw/zinc/30/71/71/407307171.db2.gz 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ZINC000004827591 181158269 /nfs/dbraw/zinc/15/82/69/181158269.db2.gz PBLQOOBHXWPBJE-UHFFFAOYSA-N 0 0 324.333 1.926 50 5 DDBARN CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005063232 181199248 /nfs/dbraw/zinc/19/92/48/181199248.db2.gz BIIZNMNSUIMSJP-UHFFFAOYSA-N 0 0 302.128 1.857 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1CO ZINC000081487623 192273711 /nfs/dbraw/zinc/27/37/11/192273711.db2.gz FKZLIKNROYHYKC-DZGCQCFKSA-N 0 0 321.377 1.988 50 5 DDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccco1 ZINC000005858565 181290347 /nfs/dbraw/zinc/29/03/47/181290347.db2.gz YTXLZCXTWHWJSY-UHFFFAOYSA-N 0 0 320.257 1.992 50 5 DDBARN COc1ccc(NC(=O)CSc2nc(N)n[nH]2)c([N+](=O)[O-])c1 ZINC000012648477 181785640 /nfs/dbraw/zinc/78/56/40/181785640.db2.gz SQZQYPBWLGVPEK-UHFFFAOYSA-N 0 0 324.322 1.035 50 5 DDBARN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000013155035 181834536 /nfs/dbraw/zinc/83/45/36/181834536.db2.gz FRPPZYHJVXVLNL-DTORHVGOSA-N 0 0 309.278 1.752 50 5 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Cc1csc(=O)n1CC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000024947724 406892499 /nfs/dbraw/zinc/89/24/99/406892499.db2.gz QCLMKAOHZRCRLT-UHFFFAOYSA-N 0 0 321.358 1.785 50 5 DDBARN CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347071 406904614 /nfs/dbraw/zinc/90/46/14/406904614.db2.gz INQWIBUHBJTPON-SNVBAGLBSA-N 0 0 308.338 1.261 50 5 DDBARN Nc1nc(NCc2cccc(-n3cccn3)c2)ncc1[N+](=O)[O-] ZINC000075140418 406924714 /nfs/dbraw/zinc/92/47/14/406924714.db2.gz TWHNMAKVOBOHRC-UHFFFAOYSA-N 0 0 311.305 1.765 50 5 DDBARN CCn1cnnc1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089310073 407130295 /nfs/dbraw/zinc/13/02/95/407130295.db2.gz OVWTXIVDMSUPLE-UHFFFAOYSA-N 0 0 304.310 1.570 50 5 DDBARN COc1ncnc(N)c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338314 407196786 /nfs/dbraw/zinc/19/67/86/407196786.db2.gz PASSMWNLLBXJSX-UHFFFAOYSA-N 0 0 315.333 1.534 50 5 DDBARN Cn1cnnc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000097139603 407282120 /nfs/dbraw/zinc/28/21/20/407282120.db2.gz FYQPFPBAVIKQML-UHFFFAOYSA-N 0 0 316.726 1.351 50 5 DDBARN CCOc1cc(NC[C@H]2CN3CCN2CC3)ccc1[N+](=O)[O-] ZINC000170683231 407473569 /nfs/dbraw/zinc/47/35/69/407473569.db2.gz WMIOFSSJWPDJCE-ZDUSSCGKSA-N 0 0 306.366 1.405 50 5 DDBARN CNc1c(C(=O)Oc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000170596457 407444270 /nfs/dbraw/zinc/44/42/70/407444270.db2.gz XWWQMAKFJSAWOB-UHFFFAOYSA-N 0 0 315.285 1.955 50 5 DDBARN O=C(NCCNc1ncc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000153584456 407858311 /nfs/dbraw/zinc/85/83/11/407858311.db2.gz POXUVBGMLNHUED-UHFFFAOYSA-N 0 0 321.724 1.880 50 5 DDBARN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000408514406 418806020 /nfs/dbraw/zinc/80/60/20/418806020.db2.gz WXLGHHFJBBHEBD-UHFFFAOYSA-N 0 0 324.362 1.224 50 5 DDBARN Cc1ccc(-c2nn3c(nnc(C)c3=O)s2)cc1[N+](=O)[O-] ZINC000008394009 274732920 /nfs/dbraw/zinc/73/29/20/274732920.db2.gz BKNINIQPSAOUSD-UHFFFAOYSA-N 0 0 303.303 1.738 50 5 DDBARN CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000040536239 277490277 /nfs/dbraw/zinc/49/02/77/277490277.db2.gz YZFFGHPFBZXNAH-ZDUSSCGKSA-N 0 0 307.350 1.828 50 5 DDBARN C[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000097046798 279006215 /nfs/dbraw/zinc/00/62/15/279006215.db2.gz XVLPQELVSYBDCM-DGCLKSJQSA-N 0 0 319.361 1.392 50 5 DDBARN CC(C)C[C@@](C)(NC(=O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000069743174 279069650 /nfs/dbraw/zinc/06/96/50/279069650.db2.gz IKNLTCXYANSDQP-OAHLLOKOSA-N 0 0 323.349 1.380 50 5 DDBARN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000101357353 280175709 /nfs/dbraw/zinc/17/57/09/280175709.db2.gz YTEDFCBCFDCRDW-GVAFMPQTSA-N 0 0 314.297 1.818 50 5 DDBARN O=c1c2cnc3ncnn3c2ccn1-c1ccccc1[N+](=O)[O-] ZINC000019959519 280392798 /nfs/dbraw/zinc/39/27/98/280392798.db2.gz UBNAUMLQMAQCBB-UHFFFAOYSA-N 0 0 308.257 1.337 50 5 DDBARN CC1(C)[C@H](Nc2ncccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000585092112 483920530 /nfs/dbraw/zinc/92/05/30/483920530.db2.gz FVRSDXSJMFNAEH-OLZOCXBDSA-N 0 0 306.366 1.901 50 5 DDBARN CCN(CC(=O)NC(C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000089960955 185272129 /nfs/dbraw/zinc/27/21/29/185272129.db2.gz SZFVIPJMPBVKGJ-UHFFFAOYSA-N 0 0 307.350 1.890 50 5 DDBARN CNC(=O)c1ccc(N[C@@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000095464312 185371489 /nfs/dbraw/zinc/37/14/89/185371489.db2.gz GRTGXVKSYUOJRY-LLVKDONJSA-N 0 0 321.333 1.662 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000072332109 191125084 /nfs/dbraw/zinc/12/50/84/191125084.db2.gz NLSQNMHNBNBYJV-UHFFFAOYSA-N 0 0 318.289 1.510 50 5 DDBARN Cc1nn(C)cc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002777467 180955307 /nfs/dbraw/zinc/95/53/07/180955307.db2.gz OGUMXFSRDYPVDO-UHFFFAOYSA-N 0 0 320.261 1.902 50 5 DDBARN O=C(NCc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004688497 181137196 /nfs/dbraw/zinc/13/71/96/181137196.db2.gz IHPSKSNATQQUIG-UHFFFAOYSA-N 0 0 300.274 1.245 50 5 DDBARN O=C(NCc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005250796 181221922 /nfs/dbraw/zinc/22/19/22/181221922.db2.gz 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O=C(C1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCOCC1 ZINC000023640446 134658448 /nfs/dbraw/zinc/65/84/48/134658448.db2.gz UAJRUSOYSUSEFS-UHFFFAOYSA-N 0 0 320.349 1.065 50 5 DDBARN CCOC(=O)c1cc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1 ZINC000000049638 406614064 /nfs/dbraw/zinc/61/40/64/406614064.db2.gz VPZYQYIBBKAEBN-UHFFFAOYSA-N 0 0 302.250 1.204 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000195123 406629460 /nfs/dbraw/zinc/62/94/60/406629460.db2.gz PAGLXUNRBQKWFL-LBPRGKRZSA-N 0 0 305.290 1.738 50 5 DDBARN NC(=O)c1nn(CC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000001429447 406668976 /nfs/dbraw/zinc/66/89/76/406668976.db2.gz FRJXUGGJGJPPRU-UHFFFAOYSA-N 0 0 323.696 1.182 50 5 DDBARN O=c1[nH]c(Cn2cnc([N+](=O)[O-])n2)nc2c3ccccc3oc21 ZINC000069808766 406774362 /nfs/dbraw/zinc/77/43/62/406774362.db2.gz APPWGHKNOPYZKA-UHFFFAOYSA-N 0 0 312.245 1.217 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1 ZINC000013146131 406859692 /nfs/dbraw/zinc/85/96/92/406859692.db2.gz QUODPUMWDDZXDG-UHFFFAOYSA-N 0 0 303.307 1.455 50 5 DDBARN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000071911245 406866739 /nfs/dbraw/zinc/86/67/39/406866739.db2.gz XCMJLJXOHPFWMK-DCAQKATOSA-N 0 0 319.144 1.808 50 5 DDBARN O=[N+]([O-])c1cc2c(cc1/C=C1/[C@H](O)C3CCN1CC3)OCO2 ZINC000015017086 406878976 /nfs/dbraw/zinc/87/89/76/406878976.db2.gz LKFUYMGWPXKBAO-HYMFSAHRSA-N 0 0 304.302 1.751 50 5 DDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccco1 ZINC000032400520 406948222 /nfs/dbraw/zinc/94/82/22/406948222.db2.gz YUUVGLJJASFIBI-UHFFFAOYSA-N 0 0 312.303 1.675 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CCCC1 ZINC000032744685 406952145 /nfs/dbraw/zinc/95/21/45/406952145.db2.gz AELBYISHIRIARK-UHFFFAOYSA-N 0 0 321.333 1.346 50 5 DDBARN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccn2)cc1 ZINC000032804231 406953298 /nfs/dbraw/zinc/95/32/98/406953298.db2.gz PMVYKCDXXVBRSG-UHFFFAOYSA-N 0 0 307.331 1.609 50 5 DDBARN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000079015765 407049163 /nfs/dbraw/zinc/04/91/63/407049163.db2.gz YBUYBZBLTOFTIJ-STQMWFEESA-N 0 0 305.334 1.298 50 5 DDBARN NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000084344444 407086569 /nfs/dbraw/zinc/08/65/69/407086569.db2.gz RNNLBJLEAPROEX-XCRNYIDWSA-N 0 0 307.281 1.081 50 5 DDBARN Cc1cc(F)cc(C(=O)N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] ZINC000089587334 407141147 /nfs/dbraw/zinc/14/11/47/407141147.db2.gz UEZHSQJCXHIFNG-UHFFFAOYSA-N 0 0 321.308 1.489 50 5 DDBARN C[C@@H]1COCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054462406 407185084 /nfs/dbraw/zinc/18/50/84/407185084.db2.gz FYCDOQOGLOHMDT-LLVKDONJSA-N 0 0 303.322 1.532 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@H](O)COCc2ccccc2Cl)n1 ZINC000095438933 407214097 /nfs/dbraw/zinc/21/40/97/407214097.db2.gz XGNBVNYFDVZJMP-JTQLQIEISA-N 0 0 312.713 1.417 50 5 DDBARN Cc1noc(C)c1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000097054122 407277921 /nfs/dbraw/zinc/27/79/21/407277921.db2.gz YQVOLVQJAWJKCT-UHFFFAOYSA-N 0 0 317.349 1.917 50 5 DDBARN NC(=O)COc1cc([N+](=O)[O-])ccc1I ZINC000097102844 407280295 /nfs/dbraw/zinc/28/02/95/407280295.db2.gz UVUCJCUSYFQADI-UHFFFAOYSA-N 0 0 322.058 1.064 50 5 DDBARN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191998842 408522425 /nfs/dbraw/zinc/52/24/25/408522425.db2.gz QVSOFSCTFDPTCO-CQSZACIVSA-N 0 0 321.377 1.966 50 5 DDBARN Cn1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])s3)C2=O)n1 ZINC000192467887 408591695 /nfs/dbraw/zinc/59/16/95/408591695.db2.gz VFLMWJQSXJCDPI-QMMMGPOBSA-N 0 0 322.350 1.392 50 5 DDBARN O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000045059892 418436212 /nfs/dbraw/zinc/43/62/12/418436212.db2.gz KQKZRSYGBGNFBK-UONOGXRCSA-N 0 0 318.329 1.479 50 5 DDBARN CC1CCN([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000004653670 275942041 /nfs/dbraw/zinc/94/20/41/275942041.db2.gz FSGVAJOJCPNDMV-AWEZNQCLSA-N 0 0 317.345 1.959 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1 ZINC000005162800 277230292 /nfs/dbraw/zinc/23/02/92/277230292.db2.gz XCYCESIRRJKDBB-UHFFFAOYSA-N 0 0 310.358 1.262 50 5 DDBARN CC(C)(C)[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000097237215 278486217 /nfs/dbraw/zinc/48/62/17/278486217.db2.gz SWUTVCWZQJLNFE-SECBINFHSA-N 0 0 306.322 1.422 50 5 DDBARN Cc1cc(NC(=O)c2c(C)c(C)nn(C)c2=O)ccc1[N+](=O)[O-] ZINC000095991496 280617956 /nfs/dbraw/zinc/61/79/56/280617956.db2.gz KYBRRWIDMOOHQH-UHFFFAOYSA-N 0 0 316.317 1.866 50 5 DDBARN CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000005559267 281616573 /nfs/dbraw/zinc/61/65/73/281616573.db2.gz REMRVFYQOGVWDF-GFCCVEGCSA-N 0 0 304.306 1.311 50 5 DDBARN O=[N+]([O-])c1ccc(-c2nnc(NCCN3CCOCC3)o2)cc1 ZINC000888098563 709213166 /nfs/dbraw/zinc/21/31/66/709213166.db2.gz KREWNIHPFHTJCT-UHFFFAOYSA-N 0 0 319.321 1.389 50 5 DDBARN CNS(=O)(=O)c1ccc(N[C@@H](C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC000585088408 771938289 /nfs/dbraw/zinc/93/82/89/771938289.db2.gz GMPJKHJIGWVPKN-ZETCQYMHSA-N 0 0 323.321 1.959 50 5 DDBARN Cc1n[nH]c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC000078996927 185143482 /nfs/dbraw/zinc/14/34/82/185143482.db2.gz OPSOYTLJWVFTQK-WDEREUQCSA-N 0 0 302.290 1.014 50 5 DDBARN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NC(C)=O)C1 ZINC000089954666 185271448 /nfs/dbraw/zinc/27/14/48/185271448.db2.gz CZQCVAASFNKQKP-CYBMUJFWSA-N 0 0 307.350 1.846 50 5 DDBARN O=[N+]([O-])c1cccc([C@@H](O)Cn2nnc(-c3cccnc3)n2)c1 ZINC000095432543 185363834 /nfs/dbraw/zinc/36/38/34/185363834.db2.gz AMYLYMISIFIPAR-ZDUSSCGKSA-N 0 0 312.289 1.377 50 5 DDBARN O=[N+]([O-])c1c(NCCc2nncn2C2CC2)nc2sccn21 ZINC000072293782 191110158 /nfs/dbraw/zinc/11/01/58/191110158.db2.gz DUPGGYPIOPOSSA-UHFFFAOYSA-N 0 0 319.350 1.885 50 5 DDBARN COC(=O)c1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl ZINC000000032049 180672574 /nfs/dbraw/zinc/67/25/74/180672574.db2.gz PEOGEDGQAUZFJE-UHFFFAOYSA-N 0 0 322.668 1.468 50 5 DDBARN CCOC(=O)c1cn(CC)c2cc(N)c([N+](=O)[O-])cc2c1=O ZINC000072433958 191165071 /nfs/dbraw/zinc/16/50/71/191165071.db2.gz LNDCIRNEOHKCSW-UHFFFAOYSA-N 0 0 305.290 1.689 50 5 DDBARN CCOC(=O)[C@H](NC(C)=O)[C@@H](C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000075251523 353356196 /nfs/dbraw/zinc/35/61/96/353356196.db2.gz NFGGRHIHAOSPFL-UONOGXRCSA-N 0 0 322.317 1.335 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(NCCN2CCS(=O)(=O)CC2)c1 ZINC000088700726 353758029 /nfs/dbraw/zinc/75/80/29/353758029.db2.gz MWMXZGOQLVMORT-UHFFFAOYSA-N 0 0 313.379 1.046 50 5 DDBARN COn1c2ccccc2[n+]([O-])c(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000003764789 181045569 /nfs/dbraw/zinc/04/55/69/181045569.db2.gz KKQMUSYZCJFXAH-UHFFFAOYSA-N 0 0 313.269 1.269 50 5 DDBARN COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1[N+](=O)[O-] ZINC000004278838 181091194 /nfs/dbraw/zinc/09/11/94/181091194.db2.gz JRCOYQJEPLLXAX-UHFFFAOYSA-N 0 0 311.319 1.654 50 5 DDBARN C[C@@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000004793653 181152377 /nfs/dbraw/zinc/15/23/77/181152377.db2.gz NZSYWTVTFYPJRH-GFCCVEGCSA-N 0 0 313.335 1.294 50 5 DDBARN CC(=O)N=c1sccn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252673028 202868864 /nfs/dbraw/zinc/86/88/64/202868864.db2.gz QRUJUBAZSXGARF-UHFFFAOYSA-N 0 0 305.315 1.788 50 5 DDBARN CCn1nccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020602072 182236684 /nfs/dbraw/zinc/23/66/84/182236684.db2.gz BNSQIPXDPXOBSV-UHFFFAOYSA-N 0 0 324.362 1.632 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1OC(F)F ZINC000048366450 183651969 /nfs/dbraw/zinc/65/19/69/183651969.db2.gz MTPZZOXGCTXTHS-UHFFFAOYSA-N 0 0 313.220 1.426 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(Br)c1 ZINC000096427352 285128394 /nfs/dbraw/zinc/12/83/94/285128394.db2.gz NUCZFVSPVCXRHO-UHFFFAOYSA-N 0 0 319.180 1.926 50 5 DDBARN C[C@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000127839199 195914601 /nfs/dbraw/zinc/91/46/01/195914601.db2.gz RTDIHNRIRQZLPN-ZETCQYMHSA-N 0 0 317.139 1.397 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc2c1=O ZINC000000183316 406627974 /nfs/dbraw/zinc/62/79/74/406627974.db2.gz GHGHZVRJELKVHA-UHFFFAOYSA-N 0 0 324.296 1.618 50 5 DDBARN C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000000183399 406629331 /nfs/dbraw/zinc/62/93/31/406629331.db2.gz VKRZEOJRZIZNJT-UWVGGRQHSA-N 0 0 300.336 1.393 50 5 DDBARN NC(=O)c1ccccc1OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001390642 406669214 /nfs/dbraw/zinc/66/92/14/406669214.db2.gz VVVOKFABHXFABK-UHFFFAOYSA-N 0 0 300.270 1.955 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)OCCO2 ZINC000002752395 406698921 /nfs/dbraw/zinc/69/89/21/406698921.db2.gz MDNRMLVSQBRPIX-UHFFFAOYSA-N 0 0 304.262 1.201 50 5 DDBARN CCOC(=O)C1=NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C1C ZINC000000339985 406639032 /nfs/dbraw/zinc/63/90/32/406639032.db2.gz JVSSBHTYSMQLHX-LLVKDONJSA-N 0 0 305.290 1.786 50 5 DDBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1 ZINC000005137715 406733866 /nfs/dbraw/zinc/73/38/66/406733866.db2.gz JTXNMEKUNHASBL-JTQLQIEISA-N 0 0 306.370 1.804 50 5 DDBARN CS(=O)(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000007187841 406750995 /nfs/dbraw/zinc/75/09/95/406750995.db2.gz DIBVMFIVFOGUIS-UHFFFAOYSA-N 0 0 313.379 1.506 50 5 DDBARN O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000004597940 406725714 /nfs/dbraw/zinc/72/57/14/406725714.db2.gz TYAZAWFSARREND-CYBMUJFWSA-N 0 0 303.318 1.713 50 5 DDBARN Nc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000078025831 407017257 /nfs/dbraw/zinc/01/72/57/407017257.db2.gz OMLKCROUJLMXCB-LLVKDONJSA-N 0 0 319.239 1.316 50 5 DDBARN CC[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040497166 407002871 /nfs/dbraw/zinc/00/28/71/407002871.db2.gz KRNWDUUHCSULQU-LBPRGKRZSA-N 0 0 321.381 1.027 50 5 DDBARN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2cn[nH]c2)C1 ZINC000097050513 407276906 /nfs/dbraw/zinc/27/69/06/407276906.db2.gz JOVQEDZHKVSXFU-SNVBAGLBSA-N 0 0 315.333 1.920 50 5 DDBARN Cc1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000097229143 407288414 /nfs/dbraw/zinc/28/84/14/407288414.db2.gz ZINUKIPXZPBNPL-ZETCQYMHSA-N 0 0 312.307 1.326 50 5 DDBARN Cc1cc2ncn(C[C@H](O)Cn3ccc([N+](=O)[O-])n3)c2cc1C ZINC000170691898 407477092 /nfs/dbraw/zinc/47/70/92/407477092.db2.gz UTIVURMLEJZCGG-LBPRGKRZSA-N 0 0 315.333 1.819 50 5 DDBARN CNC(=O)[C@@H]1CCC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420611401 420330538 /nfs/dbraw/zinc/33/05/38/420330538.db2.gz NHVOPAVHKTXLDT-SCZZXKLOSA-N 0 0 306.322 1.020 50 5 DDBARN Cc1c(NC(=O)N[C@@H]2C(=O)NCC2(C)C)cccc1[N+](=O)[O-] ZINC000585120110 422308068 /nfs/dbraw/zinc/30/80/68/422308068.db2.gz ROSRBWXZFGCZOO-LLVKDONJSA-N 0 0 306.322 1.549 50 5 DDBARN CC1(C)[C@H](Nc2ncccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000585092111 483920242 /nfs/dbraw/zinc/92/02/42/483920242.db2.gz FVRSDXSJMFNAEH-CHWSQXEVSA-N 0 0 306.366 1.901 50 5 DDBARN O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)NCc1cccnc1 ZINC000084425067 483994804 /nfs/dbraw/zinc/99/48/04/483994804.db2.gz DXASRQLSEOIMKM-UHFFFAOYSA-N 0 0 312.329 1.622 50 5 DDBARN Cc1ccnc(N2CCN(Cc3cnccn3)CC2)c1[N+](=O)[O-] ZINC000952876531 775625426 /nfs/dbraw/zinc/62/54/26/775625426.db2.gz ADDDAIOSBHVSCT-UHFFFAOYSA-N 0 0 314.349 1.410 50 5 DDBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCc1ccco1 ZINC000095481788 185373944 /nfs/dbraw/zinc/37/39/44/185373944.db2.gz AZXNKSXGJRKCLX-UHFFFAOYSA-N 0 0 307.287 1.427 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(F)cc1 ZINC000095414347 185358496 /nfs/dbraw/zinc/35/84/96/185358496.db2.gz QDTPEBLVBZRCQA-UHFFFAOYSA-N 0 0 319.292 1.602 50 5 DDBARN O=C(NC(=S)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000000083824 180686990 /nfs/dbraw/zinc/68/69/90/180686990.db2.gz VKDNHTHTZNCNNS-UHFFFAOYSA-N 0 0 305.315 1.992 50 5 DDBARN COC(=O)c1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000001421976 180864576 /nfs/dbraw/zinc/86/45/76/180864576.db2.gz JPHSJXVFTYEXCI-VIFPVBQESA-N 0 0 318.289 1.778 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)c1cc2c(cc1F)NC(=O)CC2 ZINC000072291230 353197359 /nfs/dbraw/zinc/19/73/59/353197359.db2.gz KEBYEJFARQVVKL-UHFFFAOYSA-N 0 0 318.264 1.698 50 5 DDBARN CCc1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000076093370 353398032 /nfs/dbraw/zinc/39/80/32/353398032.db2.gz OSUPGGGRGPPVCY-UHFFFAOYSA-N 0 0 305.334 1.685 50 5 DDBARN COc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000003304080 181002379 /nfs/dbraw/zinc/00/23/79/181002379.db2.gz OMWWPBFUWNZLIR-UHFFFAOYSA-N 0 0 310.306 1.675 50 5 DDBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2 ZINC000004089017 181071836 /nfs/dbraw/zinc/07/18/36/181071836.db2.gz RSQHLNWICYCSIE-UHFFFAOYSA-N 0 0 318.314 1.510 50 5 DDBARN O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000004525926 181120028 /nfs/dbraw/zinc/12/00/28/181120028.db2.gz RXIYPJBVYFVEQR-AWEZNQCLSA-N 0 0 302.242 1.601 50 5 DDBARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000004947777 181178164 /nfs/dbraw/zinc/17/81/64/181178164.db2.gz UDZLBCMRGAVVSB-SNVBAGLBSA-N 0 0 300.336 1.361 50 5 DDBARN CC(C)CO[C@@H](C)c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000089840265 192883966 /nfs/dbraw/zinc/88/39/66/192883966.db2.gz NCNNUYLOBILLBJ-JTQLQIEISA-N 0 0 322.321 1.921 50 5 DDBARN COc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000006690943 181371152 /nfs/dbraw/zinc/37/11/52/181371152.db2.gz DRMQCLMIOMYMMU-UHFFFAOYSA-N 0 0 321.333 1.945 50 5 DDBARN NC(=O)c1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000008344654 181550871 /nfs/dbraw/zinc/55/08/71/181550871.db2.gz ISWJSXBZUCTRAI-UHFFFAOYSA-N 0 0 314.301 1.744 50 5 DDBARN O=C1C[C@@H](N2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000019890900 182160849 /nfs/dbraw/zinc/16/08/49/182160849.db2.gz YWUOUFBHZFMLNO-CYBMUJFWSA-N 0 0 303.318 1.713 50 5 DDBARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)NCCCN1CCOCC1 ZINC000020458198 182220141 /nfs/dbraw/zinc/22/01/41/182220141.db2.gz IBIHIXMPXPIEPE-DUXPYHPUSA-N 0 0 309.322 1.040 50 5 DDBARN CN(Cc1ccncc1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000024203288 182376733 /nfs/dbraw/zinc/37/67/33/182376733.db2.gz SFODOFJQZVFFBD-UHFFFAOYSA-N 0 0 311.301 1.634 50 5 DDBARN CCOc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000024475044 182381603 /nfs/dbraw/zinc/38/16/03/182381603.db2.gz PGVKTGAZVQCGDE-UHFFFAOYSA-N 0 0 318.333 1.999 50 5 DDBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)c(=O)c1 ZINC000040509290 183086110 /nfs/dbraw/zinc/08/61/10/183086110.db2.gz UVOWDNMKZXIUFD-UHFFFAOYSA-N 0 0 301.302 1.566 50 5 DDBARN CC(C)C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O ZINC000044075734 183393415 /nfs/dbraw/zinc/39/34/15/183393415.db2.gz WCOZOJGXDVGGIK-VIFPVBQESA-N 0 0 314.273 1.954 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)OC[C@@H]1C ZINC000058174948 184085167 /nfs/dbraw/zinc/08/51/67/184085167.db2.gz DHGZIGKHENUBBA-RYUDHWBXSA-N 0 0 307.350 1.951 50 5 DDBARN C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000065547377 184363700 /nfs/dbraw/zinc/36/37/00/184363700.db2.gz DLEHDDPZECBYGE-SECBINFHSA-N 0 0 314.301 1.580 50 5 DDBARN CS(=O)(=O)c1ccc(NCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000069619754 406745003 /nfs/dbraw/zinc/74/50/03/406745003.db2.gz ONTUUJZJNMPULG-UHFFFAOYSA-N 0 0 300.336 1.325 50 5 DDBARN CC1=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@](C)(O)C1 ZINC000004154616 406722697 /nfs/dbraw/zinc/72/26/97/406722697.db2.gz JXFJFLBGBGRSSJ-GFCCVEGCSA-N 0 0 308.250 1.433 50 5 DDBARN CCOC(=O)CN1C(=O)COc2cc([N+](=O)[O-])c(Cl)cc21 ZINC000004648791 406726710 /nfs/dbraw/zinc/72/67/10/406726710.db2.gz WXKFBJXTFFNIMF-UHFFFAOYSA-N 0 0 314.681 1.537 50 5 DDBARN O=C(Nc1ncc([N+](=O)[O-])s1)[C@H]1COc2ccccc2O1 ZINC000005013949 406728773 /nfs/dbraw/zinc/72/87/73/406728773.db2.gz UJQWTYBGEWAHFC-SECBINFHSA-N 0 0 307.287 1.830 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccccc2O)CC1 ZINC000008133793 406779081 /nfs/dbraw/zinc/77/90/81/406779081.db2.gz PPPAMKWFXAQMQY-UHFFFAOYSA-N 0 0 303.322 1.361 50 5 DDBARN O=C(CNc1cccc([N+](=O)[O-])c1)NC(=O)NCc1ccco1 ZINC000008162435 406779514 /nfs/dbraw/zinc/77/95/14/406779514.db2.gz BXXRLUUARLTQTB-UHFFFAOYSA-N 0 0 318.289 1.626 50 5 DDBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000012485939 406846623 /nfs/dbraw/zinc/84/66/23/406846623.db2.gz HMYHRUQDASRMDJ-UHFFFAOYSA-N 0 0 317.257 1.736 50 5 DDBARN CCN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000027224077 406908947 /nfs/dbraw/zinc/90/89/47/406908947.db2.gz ULCOVSAYXMEFOG-UHFFFAOYSA-N 0 0 317.349 1.782 50 5 DDBARN COC(=O)/C=C/c1ccc(-n2cnc([N+](=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000072310935 406880744 /nfs/dbraw/zinc/88/07/44/406880744.db2.gz MUEDKCFUNDYJNR-HWKANZROSA-N 0 0 319.233 1.270 50 5 DDBARN Cn1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000025118494 406894664 /nfs/dbraw/zinc/89/46/64/406894664.db2.gz HSIVSQJNKLRJRM-UHFFFAOYSA-N 0 0 304.262 1.124 50 5 DDBARN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](CO)C1 ZINC000035270421 406971018 /nfs/dbraw/zinc/97/10/18/406971018.db2.gz HDLFBYXQADTACU-SSDOTTSWSA-N 0 0 302.128 1.571 50 5 DDBARN CCN1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000036270258 406978271 /nfs/dbraw/zinc/97/82/71/406978271.db2.gz FYUZZRVJDLJTAS-UHFFFAOYSA-N 0 0 313.379 1.229 50 5 DDBARN O=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O ZINC000028188180 406916346 /nfs/dbraw/zinc/91/63/46/406916346.db2.gz NZNZAPXKVPSPNJ-UHFFFAOYSA-N 0 0 321.333 1.102 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CCC[C@H]1n1cccn1 ZINC000077942741 407016286 /nfs/dbraw/zinc/01/62/86/407016286.db2.gz JIHQFFKDOAZXHV-CHWSQXEVSA-N 0 0 319.321 1.715 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2cc(F)ccc2C1 ZINC000092617697 407190574 /nfs/dbraw/zinc/19/05/74/407190574.db2.gz RNCVUUYRVKJCAP-UHFFFAOYSA-N 0 0 304.281 1.666 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)n1 ZINC000095438927 407213922 /nfs/dbraw/zinc/21/39/22/407213922.db2.gz UWMPBTHIBBGFQB-GXTWGEPZSA-N 0 0 318.333 1.641 50 5 DDBARN Cc1cc(=O)n(C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000123379188 407327549 /nfs/dbraw/zinc/32/75/49/407327549.db2.gz GKDXQTXPEZJIJN-AWEZNQCLSA-N 0 0 318.329 1.643 50 5 DDBARN COC[C@@H](O)CNc1c(F)cc([N+](=O)[O-])cc1Br ZINC000096429519 407264652 /nfs/dbraw/zinc/26/46/52/407264652.db2.gz TWJLQUQMGPBHFS-ZETCQYMHSA-N 0 0 323.118 1.916 50 5 DDBARN Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=C1\SC(=N)NC1=O ZINC000101018282 407308721 /nfs/dbraw/zinc/30/87/21/407308721.db2.gz ZCVXXOGHALZKGS-NTMALXAHSA-N 0 0 318.314 1.388 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C(N)=O)cs1 ZINC000125825311 407399138 /nfs/dbraw/zinc/39/91/38/407399138.db2.gz NQTOFDHGPSYFGR-UHFFFAOYSA-N 0 0 306.303 1.711 50 5 DDBARN O=C(NC[C@@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])o1 ZINC000253426449 407445018 /nfs/dbraw/zinc/44/50/18/407445018.db2.gz IETNAMCTMYRUOE-JTQLQIEISA-N 0 0 317.305 1.377 50 5 DDBARN C[C@@H](C(=O)Nc1cccc(F)c1)n1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC000170613147 407454258 /nfs/dbraw/zinc/45/42/58/407454258.db2.gz RXSHBPFXYFGLKM-ZETCQYMHSA-N 0 0 321.268 1.229 50 5 DDBARN Cc1nc(NCCNC(=O)c2ccccc2N)ccc1[N+](=O)[O-] ZINC000225751624 407603699 /nfs/dbraw/zinc/60/36/99/407603699.db2.gz XWFJTQMPRYTJHS-UHFFFAOYSA-N 0 0 315.333 1.722 50 5 DDBARN CCOC(=O)C1C(c2cccc([N+](=O)[O-])c2)=NC(=S)N[C@@H]1C ZINC000135783583 408053635 /nfs/dbraw/zinc/05/36/35/408053635.db2.gz RRKXFCWFAKEEMO-MRVPVSSYSA-N 0 0 321.358 1.735 50 5 DDBARN Cc1cc(N2CCC[C@H]2CN2CCOCC2)ncc1[N+](=O)[O-] ZINC000160401646 408478418 /nfs/dbraw/zinc/47/84/18/408478418.db2.gz KNVXXEBTYFNUKX-ZDUSSCGKSA-N 0 0 306.366 1.599 50 5 DDBARN CC(C)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000408517747 418806838 /nfs/dbraw/zinc/80/68/38/418806838.db2.gz RLUFMVTYDQPMMD-CYBMUJFWSA-N 0 0 310.354 1.095 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]2C2CC2)cc1 ZINC000408519829 418807860 /nfs/dbraw/zinc/80/78/60/418807860.db2.gz MJJJJSNYVZVHCG-CQSZACIVSA-N 0 0 310.375 1.853 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000178147055 278864326 /nfs/dbraw/zinc/86/43/26/278864326.db2.gz GBRPGLMAJQUTFM-UHFFFAOYSA-N 0 0 316.317 1.854 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000106074083 302046966 /nfs/dbraw/zinc/04/69/66/302046966.db2.gz DCRYJYNARQRYIX-MNOVXSKESA-N 0 0 314.363 1.701 50 5 DDBARN COC(=O)/C=C/c1ccc(N[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000095997032 696603443 /nfs/dbraw/zinc/60/34/43/696603443.db2.gz PEGQPQNVROPNST-GFAPAMAISA-N 0 0 305.290 1.081 50 5 DDBARN CO[C@H](C)CS(=O)(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000585129099 771961355 /nfs/dbraw/zinc/96/13/55/771961355.db2.gz XXZOHLAJSCUPRV-NXEZZACHSA-N 0 0 314.363 1.711 50 5 DDBARN NS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133642 771965515 /nfs/dbraw/zinc/96/55/15/771965515.db2.gz OPYDIVIRLPGVMB-ZDUSSCGKSA-N 0 0 313.379 1.238 50 5 DDBARN COCc1nc2n(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cn1 ZINC000095415159 185358638 /nfs/dbraw/zinc/35/86/38/185358638.db2.gz GRQLSCRROJYXID-SNVBAGLBSA-N 0 0 304.310 1.675 50 5 DDBARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000002747144 180951695 /nfs/dbraw/zinc/95/16/95/180951695.db2.gz KAJMFQBMOSRTLY-UHFFFAOYSA-N 0 0 300.318 1.997 50 5 DDBARN CC(C)(CO)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075613045 353372344 /nfs/dbraw/zinc/37/23/44/353372344.db2.gz QDXCOIAWWNZKGZ-UHFFFAOYSA-N 0 0 322.365 1.515 50 5 DDBARN Cc1cc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)n1 ZINC000004314724 181096543 /nfs/dbraw/zinc/09/65/43/181096543.db2.gz VGALUCJWWFCSPX-UHFFFAOYSA-N 0 0 320.330 1.717 50 5 DDBARN COCCNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] ZINC000004922836 181173652 /nfs/dbraw/zinc/17/36/52/181173652.db2.gz BICHUQOKNFUCOY-UHFFFAOYSA-N 0 0 313.701 1.126 50 5 DDBARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000005207084 181217254 /nfs/dbraw/zinc/21/72/54/181217254.db2.gz XLGBZKUEJGMPIE-UHFFFAOYSA-N 0 0 316.335 1.014 50 5 DDBARN COc1ccc(C(=O)N(C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000089340257 192770562 /nfs/dbraw/zinc/77/05/62/192770562.db2.gz WOXWUJYSSYAVNF-DGCLKSJQSA-N 0 0 308.334 1.836 50 5 DDBARN O=[N+]([O-])c1nn(CCOC[C@H]2CCCO2)cc1Br ZINC000089762037 192860691 /nfs/dbraw/zinc/86/06/91/192860691.db2.gz IQTDIYYYNIHIBN-MRVPVSSYSA-N 0 0 320.143 1.749 50 5 DDBARN O=C([C@@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009157390 296021041 /nfs/dbraw/zinc/02/10/41/296021041.db2.gz IXEGXGFEJGITLJ-AWEZNQCLSA-N 0 0 305.334 1.422 50 5 DDBARN CC(C)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000096432283 193639979 /nfs/dbraw/zinc/63/99/79/193639979.db2.gz WYBRHKFAHATXDT-GFCCVEGCSA-N 0 0 312.395 1.781 50 5 DDBARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CS2 ZINC000023243630 182353861 /nfs/dbraw/zinc/35/38/61/182353861.db2.gz USJKCWFATYEHOX-FZMZJTMJSA-N 0 0 321.358 1.987 50 5 DDBARN CS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000047223768 183584403 /nfs/dbraw/zinc/58/44/03/183584403.db2.gz IARLVCLOURYOPZ-UHFFFAOYSA-N 0 0 321.314 1.646 50 5 DDBARN Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000047923745 183609224 /nfs/dbraw/zinc/60/92/24/183609224.db2.gz FWVLHTSTQJHCTN-TZMCWYRMSA-N 0 0 305.334 1.961 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000195253 406629465 /nfs/dbraw/zinc/62/94/65/406629465.db2.gz XFWUIELYJLHVLQ-LBPRGKRZSA-N 0 0 305.290 1.738 50 5 DDBARN Cc1nn(C)cc1CN(C)C(=O)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000002779300 406698886 /nfs/dbraw/zinc/69/88/86/406698886.db2.gz XSAFSLAPCAZYKW-UHFFFAOYSA-N 0 0 320.353 1.190 50 5 DDBARN CCn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000002765951 406699127 /nfs/dbraw/zinc/69/91/27/406699127.db2.gz ZIBLTBWPMFYIGD-UHFFFAOYSA-N 0 0 310.335 1.290 50 5 DDBARN CCOCCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000002819396 406701284 /nfs/dbraw/zinc/70/12/84/406701284.db2.gz FSRCSOJVOVSPDP-UHFFFAOYSA-N 0 0 310.306 1.538 50 5 DDBARN CCOC(=O)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000005262130 406732338 /nfs/dbraw/zinc/73/23/38/406732338.db2.gz GAIQFTLQZCZEDW-UHFFFAOYSA-N 0 0 321.333 1.473 50 5 DDBARN C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000004155542 406724412 /nfs/dbraw/zinc/72/44/12/406724412.db2.gz HOTHFYFSLVLRHY-FUTJPDQTSA-N 0 0 300.270 1.428 50 5 DDBARN CC1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008724198 406792395 /nfs/dbraw/zinc/79/23/95/406792395.db2.gz NDMMQIOLOULKTI-UHFFFAOYSA-N 0 0 319.361 1.973 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CCOC(=O)C=CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104758448 696620820 /nfs/dbraw/zinc/62/08/20/696620820.db2.gz AMYHWVQDUQPKEA-FPLPWBNLSA-N 0 0 307.258 1.440 50 5 DDBARN CC(C)S(=O)(=O)CCC[S@@](=O)c1cccc([N+](=O)[O-])c1 ZINC000585138063 771966721 /nfs/dbraw/zinc/96/67/21/771966721.db2.gz LUGOPVWWLDWXNV-LJQANCHMSA-N 0 0 319.404 1.916 50 5 DDBARN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](NC(C)=O)C1 ZINC000089954667 185271431 /nfs/dbraw/zinc/27/14/31/185271431.db2.gz CZQCVAASFNKQKP-ZDUSSCGKSA-N 0 0 307.350 1.846 50 5 DDBARN C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092653932 185331765 /nfs/dbraw/zinc/33/17/65/185331765.db2.gz XSRZXXPILGWQSF-OAQYLSRUSA-N 0 0 318.261 1.514 50 5 DDBARN O=C(c1cc[nH]n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072290004 191108778 /nfs/dbraw/zinc/10/87/78/191108778.db2.gz KPMOJMCXJVRNRH-VIFPVBQESA-N 0 0 302.294 1.040 50 5 DDBARN COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1OC ZINC000000196090 180722139 /nfs/dbraw/zinc/72/21/39/180722139.db2.gz 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CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000051535323 407140873 /nfs/dbraw/zinc/14/08/73/407140873.db2.gz YGUYAABUOOKUNU-NSHDSACASA-N 0 0 314.363 1.093 50 5 DDBARN CCO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1(C)C ZINC000096419329 407263237 /nfs/dbraw/zinc/26/32/37/407263237.db2.gz ARFVLWKFXNYFHO-NXEZZACHSA-N 0 0 310.354 1.902 50 5 DDBARN Cn1cc(C[C@@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)cn1 ZINC000095993857 407221819 /nfs/dbraw/zinc/22/18/19/407221819.db2.gz PHQRBGYMRDLMBK-LBPRGKRZSA-N 0 0 316.361 1.890 50 5 DDBARN C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000097115398 407281049 /nfs/dbraw/zinc/28/10/49/407281049.db2.gz QDRTZHLQNKWHQN-ZJUUUORDSA-N 0 0 313.379 1.725 50 5 DDBARN COc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1[O-] ZINC000097162651 407283790 /nfs/dbraw/zinc/28/37/90/407283790.db2.gz QBSXFIDYHQASER-PWSUYJOCSA-N 0 0 309.366 1.868 50 5 DDBARN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CCCC2)C1 ZINC000195566550 407468484 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C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000252484125 408797669 /nfs/dbraw/zinc/79/76/69/408797669.db2.gz FPDQMMYELPXMOZ-CWKPULSASA-N 0 0 311.363 1.970 50 5 DDBARN CCC[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000440828193 420611560 /nfs/dbraw/zinc/61/15/60/420611560.db2.gz APQBYQQQICAIAV-GFCCVEGCSA-N 0 0 313.379 1.357 50 5 DDBARN CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000003641547 277038164 /nfs/dbraw/zinc/03/81/64/277038164.db2.gz MQUZRWMMSRELST-ZDUSSCGKSA-N 0 0 316.273 1.805 50 5 DDBARN Cc1cc(S(=O)(=O)N(C)c2ccn(C)n2)cc([N+](=O)[O-])c1C ZINC000585088796 771937017 /nfs/dbraw/zinc/93/70/17/771937017.db2.gz QDRMKHAMMZLIFX-UHFFFAOYSA-N 0 0 324.362 1.770 50 5 DDBARN O=C(COC[C@@H]1CCCO1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC000585124675 771955984 /nfs/dbraw/zinc/95/59/84/771955984.db2.gz MIRQIUXACLHBKZ-JTQLQIEISA-N 0 0 324.308 1.819 50 5 DDBARN CC(C)S(=O)(=O)CCC[S@](=O)c1cccc([N+](=O)[O-])c1 ZINC000585138062 771966694 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O=C(c1ccoc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072288659 191107736 /nfs/dbraw/zinc/10/77/36/191107736.db2.gz CCUFSCUEDOLZSQ-NSHDSACASA-N 0 0 302.290 1.909 50 5 DDBARN Cc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000003520296 181030129 /nfs/dbraw/zinc/03/01/29/181030129.db2.gz CCQYPLNQUWMJNK-UHFFFAOYSA-N 0 0 318.285 1.969 50 5 DDBARN CSc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004387582 181106041 /nfs/dbraw/zinc/10/60/41/181106041.db2.gz HNPHJADREKWLDZ-UHFFFAOYSA-N 0 0 312.347 1.554 50 5 DDBARN Cc1cccc(C(=O)OCC(=O)N2CCCC2=O)c1[N+](=O)[O-] ZINC000004580269 181126670 /nfs/dbraw/zinc/12/66/70/181126670.db2.gz RNZJQOOEECZBOL-UHFFFAOYSA-N 0 0 306.274 1.209 50 5 DDBARN CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004651765 181132292 /nfs/dbraw/zinc/13/22/92/181132292.db2.gz OHLDWHBQERZSCJ-UHFFFAOYSA-N 0 0 310.335 1.149 50 5 DDBARN O=C(O[C@@H]1CCOC1=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004840429 181160687 /nfs/dbraw/zinc/16/06/87/181160687.db2.gz 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COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1OC ZINC000065712786 184377358 /nfs/dbraw/zinc/37/73/58/184377358.db2.gz SCHAKZYHGMVNMF-UHFFFAOYSA-N 0 0 320.305 1.756 50 5 DDBARN COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000065711824 184377394 /nfs/dbraw/zinc/37/73/94/184377394.db2.gz XVZGAEVXPHBYEK-UHFFFAOYSA-N 0 0 318.289 1.525 50 5 DDBARN Cc1cc(OCc2nc(-c3nonc3N)no2)ccc1[N+](=O)[O-] ZINC000003672508 257267381 /nfs/dbraw/zinc/26/73/81/257267381.db2.gz WDEWKLCVYNKVEO-UHFFFAOYSA-N 0 0 318.249 1.497 50 5 DDBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](CO)C1 ZINC000058356608 134795154 /nfs/dbraw/zinc/79/51/54/134795154.db2.gz YTOYEDMAQSVZIQ-NSHDSACASA-N 0 0 308.334 1.980 50 5 DDBARN CCCn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000000568946 406656067 /nfs/dbraw/zinc/65/60/67/406656067.db2.gz MIOBGCKKUAEHQS-UHFFFAOYSA-N 0 0 310.701 1.897 50 5 DDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 ZINC000001055369 406663681 /nfs/dbraw/zinc/66/36/81/406663681.db2.gz 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O=c1c2cccnc2ncn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000071799410 406844209 /nfs/dbraw/zinc/84/42/09/406844209.db2.gz KPHSLZFSOSBESF-UHFFFAOYSA-N 0 0 312.285 1.779 50 5 DDBARN Nc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036233351 406977966 /nfs/dbraw/zinc/97/79/66/406977966.db2.gz AUAYCGYLJXOVRB-UHFFFAOYSA-N 0 0 307.331 1.656 50 5 DDBARN Cc1n[nH]c(CCNc2ncc([N+](=O)[O-])c(NC3CC3)n2)n1 ZINC000089497122 407138132 /nfs/dbraw/zinc/13/81/32/407138132.db2.gz HJVUKHXDDLVDCW-UHFFFAOYSA-N 0 0 304.314 1.040 50 5 DDBARN C[C@H]1CN=C(N2CCN(c3ncccc3[N+](=O)[O-])CC2)S1 ZINC000096424091 407264075 /nfs/dbraw/zinc/26/40/75/407264075.db2.gz APLYUNIEHGAZRR-JTQLQIEISA-N 0 0 307.379 1.603 50 5 DDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC000170598668 407449035 /nfs/dbraw/zinc/44/90/35/407449035.db2.gz VERVLGHNEIOUBP-UHFFFAOYSA-N 0 0 304.281 1.971 50 5 DDBARN NC(=O)c1cc([N+](=O)[O-])cn(CCCCC2CCOCC2)c1=O ZINC000225570979 407597727 /nfs/dbraw/zinc/59/77/27/407597727.db2.gz VRYNPJNZGOQXOG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/20/60/10/181206010.db2.gz OLZQPKFBLUSUMM-UHFFFAOYSA-N 0 0 308.273 1.254 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000078556525 191885249 /nfs/dbraw/zinc/88/52/49/191885249.db2.gz VCOLOSIQHYBBQF-RYUDHWBXSA-N 0 0 319.321 1.180 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCc3ccccc32)c1 ZINC000081156959 192230888 /nfs/dbraw/zinc/23/08/88/192230888.db2.gz QRQXZXDZVXSUBX-OAHLLOKOSA-N 0 0 316.361 1.995 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ncon2)c1 ZINC000281461755 216316557 /nfs/dbraw/zinc/31/65/57/216316557.db2.gz FVZTXYHSSUWYFL-SNVBAGLBSA-N 0 0 320.305 1.933 50 5 DDBARN Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1[N+](=O)[O-] ZINC000012890456 181807783 /nfs/dbraw/zinc/80/77/83/181807783.db2.gz VQMPWFWPHNAKFW-UHFFFAOYSA-N 0 0 301.306 1.371 50 5 DDBARN Cc1nn(CC(=O)c2ccc(NC(N)=O)cc2)c(C)c1[N+](=O)[O-] ZINC000024428044 182380073 /nfs/dbraw/zinc/38/00/73/182380073.db2.gz OEZLXRDHFVAHFS-UHFFFAOYSA-N 0 0 317.305 1.782 50 5 DDBARN CC(=O)N[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000031930359 182630105 /nfs/dbraw/zinc/63/01/05/182630105.db2.gz UVZFNVXUVXURNS-CQSZACIVSA-N 0 0 307.350 1.714 50 5 DDBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])s1)Nc1cccnc1 ZINC000066099369 184389089 /nfs/dbraw/zinc/38/90/89/184389089.db2.gz UMMHCHUBZZLLCQ-UHFFFAOYSA-N 0 0 320.330 1.810 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCc1ccccc1 ZINC000065713298 184377717 /nfs/dbraw/zinc/37/77/17/184377717.db2.gz HYQKHAACEACPTP-UHFFFAOYSA-N 0 0 302.334 1.849 50 5 DDBARN NC(=O)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001157385 406666879 /nfs/dbraw/zinc/66/68/79/406666879.db2.gz JAKGPBPZTPBGJA-ZZXKWVIFSA-N 0 0 303.318 1.332 50 5 DDBARN CCN1CCO[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000002438099 406687643 /nfs/dbraw/zinc/68/76/43/406687643.db2.gz IXIDKVIQJYBWLC-GFCCVEGCSA-N 0 0 307.306 1.171 50 5 DDBARN Cc1cnn(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1 ZINC000002778903 406697929 /nfs/dbraw/zinc/69/79/29/406697929.db2.gz 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ZINC000069918599 406791818 /nfs/dbraw/zinc/79/18/18/406791818.db2.gz MKRDGNMIDHTDKE-JTQLQIEISA-N 0 0 322.365 1.426 50 5 DDBARN Nc1nc(Nc2ccccc2F)nc(NCCO)c1[N+](=O)[O-] ZINC000009411230 406808480 /nfs/dbraw/zinc/80/84/80/406808480.db2.gz HNAQPEWCMHWWGX-UHFFFAOYSA-N 0 0 308.273 1.254 50 5 DDBARN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000010256002 406821401 /nfs/dbraw/zinc/82/14/01/406821401.db2.gz QVWOEGYJKCMSIJ-NSHDSACASA-N 0 0 315.285 1.505 50 5 DDBARN O=[N+]([O-])c1cccc(C(N2CCOCC2)N2CCOCC2)c1 ZINC000019300881 406885011 /nfs/dbraw/zinc/88/50/11/406885011.db2.gz OKDOZIOORNWBOI-UHFFFAOYSA-N 0 0 307.350 1.258 50 5 DDBARN COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000027914459 406913241 /nfs/dbraw/zinc/91/32/41/406913241.db2.gz VTKYCZHXWOLSGY-NOZJJQNGSA-N 0 0 322.317 1.679 50 5 DDBARN CC(=O)Nc1cc(NCCCn2cncn2)c(F)cc1[N+](=O)[O-] ZINC000032916209 406956368 /nfs/dbraw/zinc/95/63/68/406956368.db2.gz LYMJJXOBWDDXJC-UHFFFAOYSA-N 0 0 322.300 1.786 50 5 DDBARN COc1ccc(COn2nnc3ccccc32)cc1[N+](=O)[O-] ZINC000077327182 406984573 /nfs/dbraw/zinc/98/45/73/406984573.db2.gz WPYQPERTRHEGLV-UHFFFAOYSA-N 0 0 300.274 1.977 50 5 DDBARN Cc1c(NC(=O)N[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000048302165 407094958 /nfs/dbraw/zinc/09/49/58/407094958.db2.gz DZEMNCUMECRVKG-VIFPVBQESA-N 0 0 313.335 1.212 50 5 DDBARN O=[N+]([O-])c1ccc(NCCc2nnc3n2CCC3)c([N+](=O)[O-])c1 ZINC000084351287 407087926 /nfs/dbraw/zinc/08/79/26/407087926.db2.gz HRILOWKVZAUOGC-UHFFFAOYSA-N 0 0 318.293 1.695 50 5 DDBARN O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cccc(F)c1 ZINC000133193079 196319622 /nfs/dbraw/zinc/31/96/22/196319622.db2.gz ZITBJPMIGBHOHO-UHFFFAOYSA-N 0 0 307.285 1.430 50 5 DDBARN CN1C[C@H](C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CC1=O ZINC000095436665 273939020 /nfs/dbraw/zinc/93/90/20/273939020.db2.gz DPTUEVMCSXBJQQ-SNVBAGLBSA-N 0 0 303.318 1.352 50 5 DDBARN C[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O ZINC000005711090 279586894 /nfs/dbraw/zinc/58/68/94/279586894.db2.gz 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C[C@H]1CCc2ccccc2N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000078949904 185134509 /nfs/dbraw/zinc/13/45/09/185134509.db2.gz QPBBHYOLSDJREN-SWLSCSKDSA-N 0 0 316.361 1.994 50 5 DDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOc2ccc(C)cc21 ZINC000072332104 191125321 /nfs/dbraw/zinc/12/53/21/191125321.db2.gz YVLIVCCUOVUGTG-UHFFFAOYSA-N 0 0 316.317 1.834 50 5 DDBARN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N2CCCCC2)c1 ZINC000043926843 352376672 /nfs/dbraw/zinc/37/66/72/352376672.db2.gz FHJBLZOIFIUKNM-UHFFFAOYSA-N 0 0 322.317 1.773 50 5 DDBARN COc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1OC ZINC000001432154 180866874 /nfs/dbraw/zinc/86/68/74/180866874.db2.gz DOBVTZHMZNOBKA-UHFFFAOYSA-N 0 0 320.305 1.125 50 5 DDBARN Cc1cccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000084210720 353717915 /nfs/dbraw/zinc/71/79/15/353717915.db2.gz KCROHYWNBYIKAV-UHFFFAOYSA-N 0 0 301.302 1.381 50 5 DDBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCCC1=O ZINC000003348431 181009948 /nfs/dbraw/zinc/00/99/48/181009948.db2.gz 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CCS(=O)(=O)C[C@H](C)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000096483127 286635877 /nfs/dbraw/zinc/63/58/77/286635877.db2.gz DMCHJNKDOCIGCE-QMMMGPOBSA-N 0 0 321.786 1.903 50 5 DDBARN Cc1cc(C(=O)Nn2cnc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000000183331 406629444 /nfs/dbraw/zinc/62/94/44/406629444.db2.gz ITQYQFPOOVISDU-UHFFFAOYSA-N 0 0 324.296 1.997 50 5 DDBARN COC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002859844 406703791 /nfs/dbraw/zinc/70/37/91/406703791.db2.gz ZLFYSBJOSYWXDW-LLVKDONJSA-N 0 0 312.347 1.619 50 5 DDBARN O=C1c2ccccc2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000002627450 406693455 /nfs/dbraw/zinc/69/34/55/406693455.db2.gz FEEPYZGZJFLONU-UHFFFAOYSA-N 0 0 318.310 1.940 50 5 DDBARN Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccncc2)o1 ZINC000002829276 406701072 /nfs/dbraw/zinc/70/10/72/406701072.db2.gz YRVCILINVWSNSX-UHFFFAOYSA-N 0 0 305.279 1.320 50 5 DDBARN CCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(N)=O ZINC000002796286 406702190 /nfs/dbraw/zinc/70/21/90/406702190.db2.gz 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COCc1noc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000097110169 407281473 /nfs/dbraw/zinc/28/14/73/407281473.db2.gz SSDALUQIRURMBM-UHFFFAOYSA-N 0 0 305.294 1.078 50 5 DDBARN NC(=O)[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000098055555 407304768 /nfs/dbraw/zinc/30/47/68/407304768.db2.gz RNNLBJLEAPROEX-GQPNGRKGSA-N 0 0 307.281 1.081 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccncc2Cl)c1 ZINC000184547343 408638991 /nfs/dbraw/zinc/63/89/91/408638991.db2.gz FXJDSKDQRBZMQA-UHFFFAOYSA-N 0 0 323.692 1.640 50 5 DDBARN COc1cccc(N2CCC(N3CCNC3=O)CC2)c1[N+](=O)[O-] ZINC000185213781 408781649 /nfs/dbraw/zinc/78/16/49/408781649.db2.gz XDLBUBVBQAEDMZ-UHFFFAOYSA-N 0 0 320.349 1.597 50 5 DDBARN O=C(CCNc1ncc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000135358740 196468507 /nfs/dbraw/zinc/46/85/07/196468507.db2.gz VFWAIHOCZUMJNA-UHFFFAOYSA-N 0 0 314.729 1.304 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000003896146 277152993 /nfs/dbraw/zinc/15/29/93/277152993.db2.gz YLCGOIWLQUQPLK-UHFFFAOYSA-N 0 0 311.250 1.126 50 5 DDBARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2[N+](=O)[O-])S1 ZINC000000201267 278086630 /nfs/dbraw/zinc/08/66/30/278086630.db2.gz XAAHPNXSLGNUMI-LLVKDONJSA-N 0 0 308.319 1.596 50 5 DDBARN Nn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O ZINC000040398594 279712637 /nfs/dbraw/zinc/71/26/37/279712637.db2.gz UYKUDMKDBYZZQF-UHFFFAOYSA-N 0 0 304.309 1.414 50 5 DDBARN CC1=C(C(=O)N(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000005523332 281619070 /nfs/dbraw/zinc/61/90/70/281619070.db2.gz KWIBXNWOWJQOMI-LBPRGKRZSA-N 0 0 304.306 1.311 50 5 DDBARN O=C(C1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000032919202 295449787 /nfs/dbraw/zinc/44/97/87/295449787.db2.gz RJJCTNDPNGAGEU-UHFFFAOYSA-N 0 0 304.350 1.829 50 5 DDBARN CC(C)(C)OC(=O)[C@@H]1COCCN1c1ncccc1[N+](=O)[O-] ZINC000585092751 771941635 /nfs/dbraw/zinc/94/16/35/771941635.db2.gz MJTRZGWTCJDMRH-NSHDSACASA-N 0 0 309.322 1.537 50 5 DDBARN Cc1ccc(NC(=O)CSc2nncn2C)cc1[N+](=O)[O-] ZINC000003396759 190617803 /nfs/dbraw/zinc/61/78/03/190617803.db2.gz AMQGELDEFWUOIQ-UHFFFAOYSA-N 0 0 307.335 1.763 50 5 DDBARN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nc2ccccc2[nH]1 ZINC000097045560 185402310 /nfs/dbraw/zinc/40/23/10/185402310.db2.gz PMVXPRLKVMULAA-QMMMGPOBSA-N 0 0 314.305 1.696 50 5 DDBARN CNS(=O)(=O)C[C@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000089626361 290768980 /nfs/dbraw/zinc/76/89/80/290768980.db2.gz ZVFCUISOHCSTQR-LLVKDONJSA-N 0 0 313.379 1.421 50 5 DDBARN CC(=O)N1c2ccccc2N(C(C)=O)[C@H]2C=C([N+](=O)[O-])C=C[C@H]21 ZINC000075283027 353357476 /nfs/dbraw/zinc/35/74/76/353357476.db2.gz HOADNDIHMPLSBQ-CVEARBPZSA-N 0 0 313.313 1.874 50 5 DDBARN O=[N+]([O-])c1ccn(CCc2nc3c4ccccc4ncn3n2)n1 ZINC000002806358 180959809 /nfs/dbraw/zinc/95/98/09/180959809.db2.gz BDYLNFUWINBHPQ-UHFFFAOYSA-N 0 0 309.289 1.625 50 5 DDBARN Cc1nn(C)c(NCC2=NCc3ccccc3N2)c1[N+](=O)[O-] ZINC000078869516 353535654 /nfs/dbraw/zinc/53/56/54/353535654.db2.gz YDPGYYLJHJKMIQ-UHFFFAOYSA-N 0 0 300.322 1.882 50 5 DDBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCC(F)(F)F ZINC000003329391 181006081 /nfs/dbraw/zinc/00/60/81/181006081.db2.gz IZFNWPMWYQFGOQ-UHFFFAOYSA-N 0 0 306.196 1.430 50 5 DDBARN Nc1nc(NCCO)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000004306351 181095021 /nfs/dbraw/zinc/09/50/21/181095021.db2.gz QSQAUEGZPOLTGV-UHFFFAOYSA-N 0 0 308.273 1.254 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000193874142 354292347 /nfs/dbraw/zinc/29/23/47/354292347.db2.gz AOTNOHSMWCQSFE-DGCLKSJQSA-N 0 0 324.381 1.811 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])n1)NC12CC3CC(CC(C3)C1)C2 ZINC000004611883 181129540 /nfs/dbraw/zinc/12/95/40/181129540.db2.gz GMRNITDGXUHIRC-UHFFFAOYSA-N 0 0 305.338 1.271 50 5 DDBARN O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004653527 181132134 /nfs/dbraw/zinc/13/21/34/181132134.db2.gz BIONVTNEDKVIAY-CYBMUJFWSA-N 0 0 303.318 1.713 50 5 DDBARN Cc1cccc(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)n1 ZINC000005069407 181200306 /nfs/dbraw/zinc/20/03/06/181200306.db2.gz TZZBXEPUENOQNG-UHFFFAOYSA-N 0 0 316.317 1.955 50 5 DDBARN O=C(COC(=O)c1ccncc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005061613 181199009 /nfs/dbraw/zinc/19/90/09/181199009.db2.gz RQSVGVGKZUEDQE-UHFFFAOYSA-N 0 0 319.248 1.924 50 5 DDBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCOCC1 ZINC000005614445 181263887 /nfs/dbraw/zinc/26/38/87/181263887.db2.gz UTTUNQCQPNTSPM-UHFFFAOYSA-N 0 0 322.346 1.422 50 5 DDBARN Nc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000005657288 181268455 /nfs/dbraw/zinc/26/84/55/181268455.db2.gz RWMHIDOTDDWXKP-UHFFFAOYSA-N 0 0 321.333 1.783 50 5 DDBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000005716718 181275969 /nfs/dbraw/zinc/27/59/69/181275969.db2.gz IXWFTGMONIZBQL-LBPRGKRZSA-N 0 0 305.290 1.786 50 5 DDBARN Cc1cc(=O)n(Cc2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000089568496 192817896 /nfs/dbraw/zinc/81/78/96/192817896.db2.gz VFBJNJITGAOHKR-UHFFFAOYSA-N 0 0 302.246 1.756 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SCCNC1=O ZINC000006660720 181366960 /nfs/dbraw/zinc/36/69/60/181366960.db2.gz WVLUOVDKIHVVGF-NSHDSACASA-N 0 0 309.347 1.463 50 5 DDBARN COC(=O)c1c(C)nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12 ZINC000020295310 182203969 /nfs/dbraw/zinc/20/39/69/182203969.db2.gz FEACPGLSOVJTFY-UHFFFAOYSA-N 0 0 302.250 1.123 50 5 DDBARN CCN(CCCNc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000038035978 182976104 /nfs/dbraw/zinc/97/61/04/182976104.db2.gz MYZZORQHSSTUSM-UHFFFAOYSA-N 0 0 301.368 1.678 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCc1cnn(C)c1 ZINC000040556155 183102389 /nfs/dbraw/zinc/10/23/89/183102389.db2.gz VUPDRNGIYGFQTD-UHFFFAOYSA-N 0 0 307.310 1.009 50 5 DDBARN COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CN1 ZINC000042783158 183309321 /nfs/dbraw/zinc/30/93/21/183309321.db2.gz BYXWKXRWPAVAIA-IUCAKERBSA-N 0 0 300.698 1.531 50 5 DDBARN Nc1nc(N2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000058244937 134793608 /nfs/dbraw/zinc/79/36/08/134793608.db2.gz XUXGCLKDXQPCEA-UHFFFAOYSA-N 0 0 300.322 1.294 50 5 DDBARN COc1cc(CC(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000999146 406662566 /nfs/dbraw/zinc/66/25/66/406662566.db2.gz NBYNAWDRYCWTLF-UHFFFAOYSA-N 0 0 310.306 1.013 50 5 DDBARN Cc1c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000002764394 406698488 /nfs/dbraw/zinc/69/84/88/406698488.db2.gz NXHVRDCTPZNKDZ-UHFFFAOYSA-N 0 0 324.362 1.457 50 5 DDBARN Cc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)no1 ZINC000000376175 406642523 /nfs/dbraw/zinc/64/25/23/406642523.db2.gz ZZWOITDGVLSMPA-UHFFFAOYSA-N 0 0 317.261 1.981 50 5 DDBARN O=C(NCc1cccnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003200039 406714127 /nfs/dbraw/zinc/71/41/27/406714127.db2.gz FJCYLVQFDZVCHN-UHFFFAOYSA-N 0 0 302.246 1.828 50 5 DDBARN O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000010449407 406822252 /nfs/dbraw/zinc/82/22/52/406822252.db2.gz OTCBPYPFTVMHCP-ZDUSSCGKSA-N 0 0 324.358 1.387 50 5 DDBARN COC(=O)[C@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000011225332 406825065 /nfs/dbraw/zinc/82/50/65/406825065.db2.gz ORQXOBSJXMKGOQ-QMMMGPOBSA-N 0 0 308.290 1.887 50 5 DDBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)N1CCCC1 ZINC000012513020 406846117 /nfs/dbraw/zinc/84/61/17/406846117.db2.gz GOOAJANBLLEIFA-VIFPVBQESA-N 0 0 307.306 1.345 50 5 DDBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC(=O)NC1 ZINC000072062969 406873859 /nfs/dbraw/zinc/87/38/59/406873859.db2.gz BJGDYHAWSOUAPP-UWVGGRQHSA-N 0 0 323.374 1.470 50 5 DDBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC(=O)NC1 ZINC000072062967 406874103 /nfs/dbraw/zinc/87/41/03/406874103.db2.gz BJGDYHAWSOUAPP-VHSXEESVSA-N 0 0 323.374 1.470 50 5 DDBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C)n1 ZINC000025321856 406896534 /nfs/dbraw/zinc/89/65/34/406896534.db2.gz PYNDZPYJKZTBIE-UHFFFAOYSA-N 0 0 319.321 1.639 50 5 DDBARN Nc1nc(N[C@@H]2CCO[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000075092192 406921609 /nfs/dbraw/zinc/92/16/09/406921609.db2.gz MYMSLGNMVPPVGU-ZYHUDNBSSA-N 0 0 301.306 1.909 50 5 DDBARN Cc1cnn(CCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000078549562 407032730 /nfs/dbraw/zinc/03/27/30/407032730.db2.gz NHLJSBSAGAQGDD-UHFFFAOYSA-N 0 0 317.349 1.810 50 5 DDBARN Cc1nc(NCc2ccco2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000038488492 407000874 /nfs/dbraw/zinc/00/08/74/407000874.db2.gz CFQPMNDTTOOTHK-UHFFFAOYSA-N 0 0 319.321 1.735 50 5 DDBARN CNC(=O)c1ccc(N(C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000096011443 407223890 /nfs/dbraw/zinc/22/38/90/407223890.db2.gz YXEIVYFULDGAEL-FPVGNUTFSA-N 0 0 313.379 1.158 50 5 DDBARN O=[N+]([O-])c1cc(CSc2nnc(Cn3cncn3)o2)cs1 ZINC000096455683 407269357 /nfs/dbraw/zinc/26/93/57/407269357.db2.gz RAQIBPPRMPLXIU-UHFFFAOYSA-N 0 0 324.347 1.971 50 5 DDBARN O=[N+]([O-])c1cccc(-c2ncn(Cc3nnnn3C3CC3)n2)c1 ZINC000096480749 407270464 /nfs/dbraw/zinc/27/04/64/407270464.db2.gz XSSWMXZBWLXQDF-UHFFFAOYSA-N 0 0 312.293 1.223 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cn2ccccc2n1 ZINC000067287750 407270812 /nfs/dbraw/zinc/27/08/12/407270812.db2.gz UNXCJUFICNDNFB-UHFFFAOYSA-N 0 0 314.305 1.146 50 5 DDBARN O=[N+]([O-])c1ncn(Cc2nc(Cc3cccc(Cl)c3)no2)n1 ZINC000067429480 407273999 /nfs/dbraw/zinc/27/39/99/407273999.db2.gz DNUGLDFRRIUFJS-UHFFFAOYSA-N 0 0 320.696 1.862 50 5 DDBARN Nc1nc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000170594333 407446379 /nfs/dbraw/zinc/44/63/79/407446379.db2.gz DADBRCWNHVSPHP-ZYHUDNBSSA-N 0 0 316.292 1.997 50 5 DDBARN CNC(=O)NC1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000242155998 407915451 /nfs/dbraw/zinc/91/54/51/407915451.db2.gz WUYOPALDJOCWGO-UHFFFAOYSA-N 0 0 301.306 1.261 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(N2CCCN(c3cccnn3)CC2)n1 ZINC000268812072 408203917 /nfs/dbraw/zinc/20/39/17/408203917.db2.gz MNDGIVXUEYDLBI-UHFFFAOYSA-N 0 0 314.349 1.805 50 5 DDBARN Cn1nnnc1Sc1ncc([N+](=O)[O-])cc1Br ZINC000301516763 410735415 /nfs/dbraw/zinc/73/54/15/410735415.db2.gz FPOOVXSVDNIJEG-UHFFFAOYSA-N 0 0 317.128 1.427 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2ccccn2)C1 ZINC000408518593 418807178 /nfs/dbraw/zinc/80/71/78/418807178.db2.gz PNRNFHUSKJPLOC-LBPRGKRZSA-N 0 0 315.333 1.593 50 5 DDBARN CCN1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CC1=O ZINC000069895392 276238574 /nfs/dbraw/zinc/23/85/74/276238574.db2.gz PVFKKKBBSVEPRV-PWSUYJOCSA-N 0 0 317.345 1.741 50 5 DDBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000004306249 276341441 /nfs/dbraw/zinc/34/14/41/276341441.db2.gz XGVDUGULJHGURI-UWVGGRQHSA-N 0 0 324.385 1.427 50 5 DDBARN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(CCC2)C1 ZINC000096501140 279664347 /nfs/dbraw/zinc/66/43/47/279664347.db2.gz WHRRVFPSEDHIOS-UHFFFAOYSA-N 0 0 311.363 1.623 50 5 DDBARN C[C@@H]1C[C@@H](C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000004300116 288481091 /nfs/dbraw/zinc/48/10/91/288481091.db2.gz NEOCWNGVSWVRCB-NXEZZACHSA-N 0 0 313.379 1.725 50 5 DDBARN Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@@H](C)C1 ZINC000169293713 301429965 /nfs/dbraw/zinc/42/99/65/301429965.db2.gz BQFKSLBLOMEADE-RFAUZJTJSA-N 0 0 305.334 1.732 50 5 DDBARN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000078997043 185143547 /nfs/dbraw/zinc/14/35/47/185143547.db2.gz UHKCRJDMLZAOMZ-RDJZCZTQSA-N 0 0 312.325 1.912 50 5 DDBARN O=c1[nH]cnc2cc(NCCCn3ccnc3)c([N+](=O)[O-])cc12 ZINC000095469612 185372470 /nfs/dbraw/zinc/37/24/70/185372470.db2.gz FAMKESWSQVCTHL-UHFFFAOYSA-N 0 0 314.305 1.530 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000480515 180804214 /nfs/dbraw/zinc/80/42/14/180804214.db2.gz ICEKYCFEJRZFJO-UHFFFAOYSA-N 0 0 301.711 1.815 50 5 DDBARN O=C(Cn1ncc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000552526 180819836 /nfs/dbraw/zinc/81/98/36/180819836.db2.gz JTDVZDZZKTUAMP-UHFFFAOYSA-N 0 0 324.296 1.943 50 5 DDBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC000003447314 181021757 /nfs/dbraw/zinc/02/17/57/181021757.db2.gz RZIITHKDWGZQPI-UHFFFAOYSA-N 0 0 317.301 1.624 50 5 DDBARN CCNC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000097095538 353917558 /nfs/dbraw/zinc/91/75/58/353917558.db2.gz DNRZFXCSTZMYIH-UHFFFAOYSA-N 0 0 311.725 1.456 50 5 DDBARN [NH3+][C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517180 181118806 /nfs/dbraw/zinc/11/88/06/181118806.db2.gz OFKKPUNNTZKBSR-VIFPVBQESA-N 0 0 312.282 1.497 50 5 in-vitro DDBARN CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1SCC ZINC000004577893 181126720 /nfs/dbraw/zinc/12/67/20/181126720.db2.gz KZJQSYDAOCRLDH-UHFFFAOYSA-N 0 0 312.347 2.000 50 5 DDBARN COC(=O)c1ccc(N[C@H](C(=O)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000004668684 181134117 /nfs/dbraw/zinc/13/41/17/181134117.db2.gz RUJXDFJNMARSGE-LBPRGKRZSA-N 0 0 310.306 1.991 50 5 DDBARN CCS(=O)(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004703740 181139574 /nfs/dbraw/zinc/13/95/74/181139574.db2.gz OCEKUQSGKJDYEB-UHFFFAOYSA-N 0 0 307.759 1.599 50 5 DDBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C=C[C@H](CO)C1 ZINC000081487627 192274245 /nfs/dbraw/zinc/27/42/45/192274245.db2.gz AIUHTYZCDZHTHZ-QWHCGFSZSA-N 0 0 305.334 1.374 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@@H](O)c2cccc(Br)c2)n1 ZINC000089774393 192864355 /nfs/dbraw/zinc/86/43/55/192864355.db2.gz PEPGCGCFVUEWHD-SECBINFHSA-N 0 0 313.111 1.682 50 5 DDBARN O=C(NC[C@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])o1 ZINC000253426452 202883663 /nfs/dbraw/zinc/88/36/63/202883663.db2.gz IETNAMCTMYRUOE-SNVBAGLBSA-N 0 0 317.305 1.377 50 5 DDBARN O=C(c1cc2cccc([N+](=O)[O-])c2oc1=O)N1CCOCC1 ZINC000000041277 296194111 /nfs/dbraw/zinc/19/41/11/296194111.db2.gz UCRXKQPSBWIFDW-UHFFFAOYSA-N 0 0 304.258 1.174 50 5 DDBARN CCONC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000022874991 182339268 /nfs/dbraw/zinc/33/92/68/182339268.db2.gz OUFLFGPOOPRPAA-UHFFFAOYSA-N 0 0 309.278 1.351 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000023425962 182360594 /nfs/dbraw/zinc/36/05/94/182360594.db2.gz QBHIKBMAJQCAMD-GHMZBOCLSA-N 0 0 323.349 1.651 50 5 DDBARN C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000069061948 406676591 /nfs/dbraw/zinc/67/65/91/406676591.db2.gz JMNBRPFGUIUVEQ-BXUZGUMPSA-N 0 0 323.349 1.840 50 5 DDBARN O=[N+]([O-])c1cccc(S(=O)(=O)n2nnc3ccccc32)c1 ZINC000000350331 406643364 /nfs/dbraw/zinc/64/33/64/406643364.db2.gz AJHZEBCUZCDBLL-UHFFFAOYSA-N 0 0 304.287 1.577 50 5 DDBARN CN1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000005319769 406733699 /nfs/dbraw/zinc/73/36/99/406733699.db2.gz HWLGHBKLHJVHCF-UHFFFAOYSA-N 0 0 306.366 1.183 50 5 DDBARN C[C@@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000006899328 406740713 /nfs/dbraw/zinc/74/07/13/406740713.db2.gz KTVGANCJGKCBJU-SNVBAGLBSA-N 0 0 321.333 1.735 50 5 DDBARN O=C(c1ccoc1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000026715670 406905852 /nfs/dbraw/zinc/90/58/52/406905852.db2.gz XFFSQGLLZRQOHY-UHFFFAOYSA-N 0 0 302.290 1.545 50 5 DDBARN Nc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000036233350 406977910 /nfs/dbraw/zinc/97/79/10/406977910.db2.gz VHGHMWMNJVVKAF-UHFFFAOYSA-N 0 0 307.331 1.656 50 5 DDBARN CCCNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000029622421 406924893 /nfs/dbraw/zinc/92/48/93/406924893.db2.gz 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407214610 /nfs/dbraw/zinc/21/46/10/407214610.db2.gz NTIDIKQCZYYHPM-SNVBAGLBSA-N 0 0 304.306 1.218 50 5 DDBARN C[C@H](CCN1CCCC1=O)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096425160 407263999 /nfs/dbraw/zinc/26/39/99/407263999.db2.gz GVEUEYZSWMCTSS-GFCCVEGCSA-N 0 0 319.361 1.655 50 5 DDBARN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)Cc1ccccc1 ZINC000096436353 407265658 /nfs/dbraw/zinc/26/56/58/407265658.db2.gz XCHVOVCIFPMVQB-MRXNPFEDSA-N 0 0 314.341 1.857 50 5 DDBARN CCO[C@@H](C)c1noc(Cn2cc([N+](=O)[O-])c(C)cc2=O)n1 ZINC000096474485 407270505 /nfs/dbraw/zinc/27/05/05/407270505.db2.gz KQNTUGUDPMAMLR-VIFPVBQESA-N 0 0 308.294 1.594 50 5 DDBARN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000170599184 287224139 /nfs/dbraw/zinc/22/41/39/287224139.db2.gz XWYDDLVIRDDWFG-DGCLKSJQSA-N 0 0 319.361 1.999 50 5 DDBARN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1ccnn1C)CC2 ZINC000360844115 418532213 /nfs/dbraw/zinc/53/22/13/418532213.db2.gz CJPUJGHATBINHZ-UHFFFAOYSA-N 0 0 322.346 1.388 50 5 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O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000002795670 180958835 /nfs/dbraw/zinc/95/88/35/180958835.db2.gz QLUWDURAIKNZCM-UHFFFAOYSA-N 0 0 305.250 1.130 50 5 DDBARN O=C(NCc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004703169 181139932 /nfs/dbraw/zinc/13/99/32/181139932.db2.gz FPAMRNNLVCXYQD-UHFFFAOYSA-N 0 0 300.274 1.245 50 5 DDBARN CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006509168 181347270 /nfs/dbraw/zinc/34/72/70/181347270.db2.gz LHEABWBRIFOZMO-CPCISQLKSA-N 0 0 312.301 1.755 50 5 DDBARN CCCc1csc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC000092262218 193182995 /nfs/dbraw/zinc/18/29/95/193182995.db2.gz WRGCJYLFIPVIAP-UHFFFAOYSA-N 0 0 308.319 1.944 50 5 DDBARN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)Cc1ccccc1 ZINC000096436352 193643985 /nfs/dbraw/zinc/64/39/85/193643985.db2.gz XCHVOVCIFPMVQB-INIZCTEOSA-N 0 0 314.341 1.857 50 5 DDBARN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1OC ZINC000020259014 182200759 /nfs/dbraw/zinc/20/07/59/182200759.db2.gz 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Cn1cnc([N+](=O)[O-])c1Sc1n[nH]c(-c2ccncc2)n1 ZINC000012577355 406848526 /nfs/dbraw/zinc/84/85/26/406848526.db2.gz YORZTCJPWCFNLS-UHFFFAOYSA-N 0 0 303.307 1.660 50 5 DDBARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c([N+](=O)[O-])n1 ZINC000013113202 406858333 /nfs/dbraw/zinc/85/83/33/406858333.db2.gz FMUJSZVMCWKFMQ-UHFFFAOYSA-N 0 0 318.314 1.947 50 5 DDBARN O=[N+]([O-])c1cc2c(cc1/C=C1/[C@@H](O)C3CCN1CC3)OCO2 ZINC000015017087 406878123 /nfs/dbraw/zinc/87/81/23/406878123.db2.gz LKFUYMGWPXKBAO-LGVHXXEASA-N 0 0 304.302 1.751 50 5 DDBARN CC(C)N1C[C@@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000075128292 406922533 /nfs/dbraw/zinc/92/25/33/406922533.db2.gz JCOSSAIXPCBKKE-VIFPVBQESA-N 0 0 309.297 1.929 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1ccccc1Cl ZINC000029625346 406925694 /nfs/dbraw/zinc/92/56/94/406925694.db2.gz VMVSXSBYKJUHQX-UHFFFAOYSA-N 0 0 323.740 1.824 50 5 DDBARN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](O)C1 ZINC000084341153 407086907 /nfs/dbraw/zinc/08/69/07/407086907.db2.gz 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ZINC000047271807 418454710 /nfs/dbraw/zinc/45/47/10/418454710.db2.gz CTFQIHNNPMCQJZ-GWCFXTLKSA-N 0 0 309.753 1.654 50 5 DDBARN CCC[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000440828194 420611872 /nfs/dbraw/zinc/61/18/72/420611872.db2.gz APQBYQQQICAIAV-LBPRGKRZSA-N 0 0 313.379 1.357 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCN(CCO)CC1 ZINC000019293084 275036033 /nfs/dbraw/zinc/03/60/33/275036033.db2.gz PDSYPHRKXKDOAH-UHFFFAOYSA-N 0 0 320.393 1.309 50 5 DDBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C)c1=N ZINC000100877995 276297743 /nfs/dbraw/zinc/29/77/43/276297743.db2.gz HQPUPJORNOUACY-UHFFFAOYSA-N 0 0 312.329 1.151 50 5 DDBARN CN(C)C1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000095462091 282054138 /nfs/dbraw/zinc/05/41/38/282054138.db2.gz RIQBAUHGOHLGHK-UHFFFAOYSA-N 0 0 319.770 1.183 50 5 DDBARN Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1[N+](=O)[O-] ZINC000011120913 331522586 /nfs/dbraw/zinc/52/25/86/331522586.db2.gz ASAONTAIBLSCTC-UHFFFAOYSA-N 0 0 315.333 1.713 50 5 DDBARN O=[N+]([O-])c1ccc(/C=C\c2cnc(N3CCOCC3)nc2)nc1 ZINC000885981007 708675430 /nfs/dbraw/zinc/67/54/30/708675430.db2.gz FMNAJYPHHMCSEV-UPHRSURJSA-N 0 0 313.317 1.787 50 5 DDBARN CNC(=O)[C@@H]1CCC[C@@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] ZINC000585093038 771941961 /nfs/dbraw/zinc/94/19/61/771941961.db2.gz ZIUMJSIEZPDDHZ-KOLCDFICSA-N 0 0 321.333 1.708 50 5 DDBARN CNC(=O)[C@@H]1CCC[C@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] ZINC000585093039 771942287 /nfs/dbraw/zinc/94/22/87/771942287.db2.gz ZIUMJSIEZPDDHZ-MWLCHTKSSA-N 0 0 321.333 1.708 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1O ZINC000078953346 185134820 /nfs/dbraw/zinc/13/48/20/185134820.db2.gz AHCGMURYNYCVBL-TZMCWYRMSA-N 0 0 307.350 1.740 50 5 DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000071022 290924874 /nfs/dbraw/zinc/92/48/74/290924874.db2.gz JBIYEDHAISFPCC-NSHDSACASA-N 0 0 316.277 1.043 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccc(F)cc32)c1 ZINC000072583948 191198417 /nfs/dbraw/zinc/19/84/17/191198417.db2.gz OKXWRNJZANNPOD-CYBMUJFWSA-N 0 0 306.297 1.354 50 5 DDBARN O=C(NCCCN1CCCC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004134256 181077623 /nfs/dbraw/zinc/07/76/23/181077623.db2.gz QPWQKNSSGGWCDA-UHFFFAOYSA-N 0 0 306.322 1.729 50 5 DDBARN CO[C@]1(C)C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000073267425 191297944 /nfs/dbraw/zinc/29/79/44/191297944.db2.gz HTZYREMUUNSCIO-SMDDNHRTSA-N 0 0 310.354 1.501 50 5 DDBARN CC[NH2+][C@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000005258503 181222804 /nfs/dbraw/zinc/22/28/04/181222804.db2.gz KMJVMMRPMGRMFT-SECBINFHSA-N 0 0 315.713 1.640 50 5 DDBARN Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000194009331 201162841 /nfs/dbraw/zinc/16/28/41/201162841.db2.gz STZIZBXWEOBCBC-QWHCGFSZSA-N 0 0 321.377 1.430 50 5 DDBARN CCn1ncc([N+](=O)[O-])c1-c1nn2c(nnc2C(F)F)s1 ZINC000020606013 182237668 /nfs/dbraw/zinc/23/76/68/182237668.db2.gz COTXIBXCRVDNKX-UHFFFAOYSA-N 0 0 315.265 1.915 50 5 DDBARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000021839896 182295051 /nfs/dbraw/zinc/29/50/51/182295051.db2.gz ILTDLHDREOBWOH-CMPLNLGQSA-N 0 0 323.349 1.785 50 5 DDBARN C[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000022612103 182327961 /nfs/dbraw/zinc/32/79/61/182327961.db2.gz CSTDQUBHRNOSOF-VXGBXAGGSA-N 0 0 307.350 1.434 50 5 DDBARN CCc1nnsc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000022689178 182331288 /nfs/dbraw/zinc/33/12/88/182331288.db2.gz DTWYAIWSMIGWAS-NSHDSACASA-N 0 0 322.346 1.472 50 5 DDBARN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000044467880 183411554 /nfs/dbraw/zinc/41/15/54/183411554.db2.gz KQRFWZPZEDRKNB-SMDDNHRTSA-N 0 0 314.345 1.934 50 5 DDBARN C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CO1 ZINC000106116001 194186982 /nfs/dbraw/zinc/18/69/82/194186982.db2.gz NKZAHOFJPWWWHT-RYUDHWBXSA-N 0 0 317.349 1.920 50 5 DDBARN CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000057797742 184053461 /nfs/dbraw/zinc/05/34/61/184053461.db2.gz SGYWRLYCKOWCIR-UHFFFAOYSA-N 0 0 300.318 1.858 50 5 DDBARN CC(=O)Nc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000058014141 184067178 /nfs/dbraw/zinc/06/71/78/184067178.db2.gz WBBGUAVGZRAEBK-UHFFFAOYSA-N 0 0 317.305 1.697 50 5 DDBARN Cc1nnc(Sc2ncccc2[N+](=O)[O-])n1CC(=O)N(C)C ZINC000058202342 184087411 /nfs/dbraw/zinc/08/74/11/184087411.db2.gz PVJMYDUNXLZSMT-UHFFFAOYSA-N 0 0 322.350 1.129 50 5 DDBARN CC(=O)Nc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000000051665 406615897 /nfs/dbraw/zinc/61/58/97/406615897.db2.gz JHJTVSUUSXVKHM-UHFFFAOYSA-N 0 0 303.278 1.539 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1nnc2ccccc21 ZINC000000049503 406616277 /nfs/dbraw/zinc/61/62/77/406616277.db2.gz OLROBSFSQCHSII-UHFFFAOYSA-N 0 0 318.314 1.885 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 ZINC000000109367 406619575 /nfs/dbraw/zinc/61/95/75/406619575.db2.gz AYSZLENCZUCTFM-UHFFFAOYSA-N 0 0 307.331 1.511 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1Br ZINC000000499362 406652174 /nfs/dbraw/zinc/65/21/74/406652174.db2.gz GYILTWOZZTXCMD-UHFFFAOYSA-N 0 0 318.079 1.931 50 5 DDBARN COc1ccc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])c(OC)c1 ZINC000001002447 406662828 /nfs/dbraw/zinc/66/28/28/406662828.db2.gz UDIVDDUMSJGFBN-UHFFFAOYSA-N 0 0 320.305 1.906 50 5 DDBARN Cc1c([N+](=O)[O-])cc(C(=O)NCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000002767207 406699475 /nfs/dbraw/zinc/69/94/75/406699475.db2.gz GKDZTSAVAVTXSH-UHFFFAOYSA-N 0 0 319.277 1.475 50 5 DDBARN CCn1ncc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O ZINC000002796364 406700896 /nfs/dbraw/zinc/70/08/96/406700896.db2.gz MZZIIFPXLPWVHW-UHFFFAOYSA-N 0 0 303.278 1.162 50 5 DDBARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000000361772 406643265 /nfs/dbraw/zinc/64/32/65/406643265.db2.gz BRNUNGQDJMNVOJ-UHFFFAOYSA-N 0 0 311.253 1.536 50 5 DDBARN COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 ZINC000005148119 406731597 /nfs/dbraw/zinc/73/15/97/406731597.db2.gz CTQOAYMQHMSXPI-SNVBAGLBSA-N 0 0 324.385 1.652 50 5 DDBARN CS(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004499102 406727291 /nfs/dbraw/zinc/72/72/91/406727291.db2.gz XHLVCNKHMYDQAN-UHFFFAOYSA-N 0 0 319.770 1.330 50 5 DDBARN COc1ccccc1N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000008424694 406787970 /nfs/dbraw/zinc/78/79/70/406787970.db2.gz GASGHNDPCVGSHR-UHFFFAOYSA-N 0 0 317.349 1.664 50 5 DDBARN Cc1ccc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000012486347 406846728 /nfs/dbraw/zinc/84/67/28/406846728.db2.gz YQEFTPLHTBWGHM-PHIMTYICSA-N 0 0 309.322 1.313 50 5 DDBARN C[C@@H](Sc1nc(N)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012690288 406849398 /nfs/dbraw/zinc/84/93/98/406849398.db2.gz NKFXJCZPSVITKB-ZCFIWIBFSA-N 0 0 308.323 1.414 50 5 DDBARN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000012910837 406855714 /nfs/dbraw/zinc/85/57/14/406855714.db2.gz JRZBORYZJDVUSI-QMMMGPOBSA-N 0 0 321.289 1.128 50 5 DDBARN C[C@@H]1CN(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000026225208 406903492 /nfs/dbraw/zinc/90/34/92/406903492.db2.gz HWIIYHZVMLUTLH-TXEJJXNPSA-N 0 0 322.365 1.826 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)nc1 ZINC000032779266 406953679 /nfs/dbraw/zinc/95/36/79/406953679.db2.gz FRYGZWDGOUNMHI-UHFFFAOYSA-N 0 0 302.338 1.936 50 5 DDBARN C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000033081275 406958519 /nfs/dbraw/zinc/95/85/19/406958519.db2.gz RBQQQIBGBLVOKZ-KTRBRXNASA-N 0 0 319.361 1.445 50 5 DDBARN Cc1ccnc2nc(C(=O)OCc3cccc([N+](=O)[O-])c3)nn21 ZINC000044508307 407025048 /nfs/dbraw/zinc/02/50/48/407025048.db2.gz DCEOWADKYWQACJ-UHFFFAOYSA-N 0 0 313.273 1.698 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000078556524 407034594 /nfs/dbraw/zinc/03/45/94/407034594.db2.gz VCOLOSIQHYBBQF-NWDGAFQWSA-N 0 0 319.321 1.180 50 5 DDBARN COC[C@H](O)CN(C)c1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000095988668 407221265 /nfs/dbraw/zinc/22/12/65/407221265.db2.gz FHVBVYOOVWSZPT-LLVKDONJSA-N 0 0 305.334 1.895 50 5 DDBARN O=C(NCC(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000096005547 407222703 /nfs/dbraw/zinc/22/27/03/407222703.db2.gz VGKPACGYDVXFCC-SNVBAGLBSA-N 0 0 317.223 1.766 50 5 DDBARN C[S@](=O)c1nncn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000096007241 407223653 /nfs/dbraw/zinc/22/36/53/407223653.db2.gz PSYTUZRYEBZEJM-LJQANCHMSA-N 0 0 300.727 1.625 50 5 DDBARN O=c1onc(-c2ncccn2)n1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000170605595 407451307 /nfs/dbraw/zinc/45/13/07/407451307.db2.gz HRLAQZXJYGKOKZ-UHFFFAOYSA-N 0 0 317.236 1.389 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1 ZINC000005156787 292565076 /nfs/dbraw/zinc/56/50/76/292565076.db2.gz DLDXRJVETJAQAE-VIFPVBQESA-N 0 0 310.358 1.262 50 5 DDBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(=O)[nH]n1 ZINC000361967175 418732160 /nfs/dbraw/zinc/73/21/60/418732160.db2.gz RJTQAQWYWUSGBH-MRVPVSSYSA-N 0 0 320.330 2.210 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]2C2CC2)cc1 ZINC000408519826 418808221 /nfs/dbraw/zinc/80/82/21/418808221.db2.gz MJJJJSNYVZVHCG-AWEZNQCLSA-N 0 0 310.375 1.853 50 5 DDBARN CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000004181851 277255747 /nfs/dbraw/zinc/25/57/47/277255747.db2.gz PXJNCQXBGMWORB-UHFFFAOYSA-N 0 0 306.059 1.559 50 5 DDBARN COc1ncnc2c1N[C@@H](NO)c1cc([N+](=O)[O-])ccc1S2 ZINC000012389994 277489931 /nfs/dbraw/zinc/48/99/31/277489931.db2.gz HEXASBGZOYSWEH-JTQLQIEISA-N 0 0 321.318 1.948 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)OC[C@@H]1C ZINC000058174949 278932716 /nfs/dbraw/zinc/93/27/16/278932716.db2.gz DHGZIGKHENUBBA-NWDGAFQWSA-N 0 0 307.350 1.951 50 5 DDBARN CC[C@@H](C)n1c(=N)c(C(N)=O)cc2c1nc1ccccn1c2=O ZINC000100088323 280131216 /nfs/dbraw/zinc/13/12/16/280131216.db2.gz JISDJLHYCYNWLK-SECBINFHSA-N 0 0 311.345 1.199 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)n1nnc2ccccc21 ZINC000001225895 304810472 /nfs/dbraw/zinc/81/04/72/304810472.db2.gz GWDIYKVTXUNCMX-UHFFFAOYSA-N 0 0 304.287 1.577 50 5 DDBARN Cc1nn(C)c(NCc2nnc3ccc(Cl)cn32)c1[N+](=O)[O-] ZINC000585139341 771968074 /nfs/dbraw/zinc/96/80/74/771968074.db2.gz HMLXKZHOKYIELV-UHFFFAOYSA-N 0 0 321.728 1.945 50 5 DDBARN Nc1nc(N(Cc2ccco2)C[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000095421589 185360818 /nfs/dbraw/zinc/36/08/18/185360818.db2.gz UXSNPAYYWKLZIZ-LLVKDONJSA-N 0 0 319.321 1.746 50 5 DDBARN C[C@@]1(C(=O)Oc2ccccc2)CS(=O)(=O)C[C@]1(C)[N+](=O)[O-] ZINC000004991928 352113451 /nfs/dbraw/zinc/11/34/51/352113451.db2.gz AYSGFCYSJDXKLE-STQMWFEESA-N 0 0 313.331 1.062 50 5 DDBARN O=C(N[C@H]1CCSC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002058207 180908874 /nfs/dbraw/zinc/90/88/74/180908874.db2.gz VBEVRBJEEBBMIC-VIFPVBQESA-N 0 0 311.275 1.265 50 5 DDBARN O=C(NCc1ccc[nH]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000097237992 353919111 /nfs/dbraw/zinc/91/91/11/353919111.db2.gz ZVXZFXVLKCHZBO-AWEZNQCLSA-N 0 0 314.301 1.732 50 5 DDBARN CCc1nn(C)c(N2CC(O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000192786853 354291213 /nfs/dbraw/zinc/29/12/13/354291213.db2.gz FFCGRTSHYUWQMM-UHFFFAOYSA-N 0 0 320.324 1.738 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1 ZINC000005025561 181192451 /nfs/dbraw/zinc/19/24/51/181192451.db2.gz BCKYVFHDRAWJDE-UHFFFAOYSA-N 0 0 304.310 1.769 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000078556523 191885158 /nfs/dbraw/zinc/88/51/58/191885158.db2.gz VCOLOSIQHYBBQF-NEPJUHHUSA-N 0 0 319.321 1.180 50 5 DDBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(C)(C)C ZINC000005620071 181264436 /nfs/dbraw/zinc/26/44/36/181264436.db2.gz YKTYJUSOCDIUNI-UHFFFAOYSA-N 0 0 309.322 1.708 50 5 DDBARN COc1ccc(CSCc2nc(N)nc(N)n2)cc1[N+](=O)[O-] ZINC000089466078 192794946 /nfs/dbraw/zinc/79/49/46/192794946.db2.gz ONWZTKLNSNUBRI-UHFFFAOYSA-N 0 0 322.350 1.386 50 5 DDBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 ZINC000006045298 181307864 /nfs/dbraw/zinc/30/78/64/181307864.db2.gz WBAAYIAFNUIWPC-UHFFFAOYSA-N 0 0 308.319 1.249 50 5 DDBARN CCOC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000006599565 181359520 /nfs/dbraw/zinc/35/95/20/181359520.db2.gz UZWRIBAWYHQMRF-UHFFFAOYSA-N 0 0 321.249 1.569 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000006787461 181388068 /nfs/dbraw/zinc/38/80/68/181388068.db2.gz NBDDIGZRLILDLR-WCQGTBRESA-N 0 0 310.354 1.420 50 5 DDBARN Cc1ccc(OCn2nnc3ccccc3c2=O)c([N+](=O)[O-])n1 ZINC000006787795 181388917 /nfs/dbraw/zinc/38/89/17/181388917.db2.gz HZQVNRPDEUOKFM-UHFFFAOYSA-N 0 0 313.273 1.440 50 5 DDBARN COc1ccc(C(=O)NCCCn2cccn2)cc1[N+](=O)[O-] ZINC000030170631 182585216 /nfs/dbraw/zinc/58/52/16/182585216.db2.gz ZCUNBURBHWFBRT-UHFFFAOYSA-N 0 0 304.306 1.620 50 5 DDBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NN1CCCCC1=O ZINC000058166371 184083398 /nfs/dbraw/zinc/08/33/98/184083398.db2.gz XIANNRUOINQWTA-UHFFFAOYSA-N 0 0 306.322 1.318 50 5 DDBARN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000044976642 285166971 /nfs/dbraw/zinc/16/69/71/285166971.db2.gz VDRDEPKAZYRRCQ-LLVKDONJSA-N 0 0 300.322 1.861 50 5 DDBARN COCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-] ZINC000004684513 134463046 /nfs/dbraw/zinc/46/30/46/134463046.db2.gz FBDZCYAIFSBZCF-UHFFFAOYSA-N 0 0 307.306 1.697 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000020405379 134646204 /nfs/dbraw/zinc/64/62/04/134646204.db2.gz PKYYLZODOGXZMK-LBPRGKRZSA-N 0 0 319.283 1.640 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001797808 406679064 /nfs/dbraw/zinc/67/90/64/406679064.db2.gz SUOFRVXYTWIPIL-UHFFFAOYSA-N 0 0 320.261 1.865 50 5 DDBARN O=C(Nc1cnc(-c2cccc(O)c2)nc1)[C@H]1CC1[N+](=O)[O-] ZINC000069975714 406799501 /nfs/dbraw/zinc/79/95/01/406799501.db2.gz HKJZTJSCHWUIPC-RYUDHWBXSA-N 0 0 300.274 1.453 50 5 DDBARN Cc1nc2n(n1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000009356633 406807203 /nfs/dbraw/zinc/80/72/03/406807203.db2.gz XJPWFDMXVSPXNI-JTQLQIEISA-N 0 0 316.277 1.017 50 5 DDBARN Cc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000012761669 406850765 /nfs/dbraw/zinc/85/07/65/406850765.db2.gz IAPKJXRFSSYBNZ-UHFFFAOYSA-N 0 0 319.277 1.955 50 5 DDBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000012907241 406855596 /nfs/dbraw/zinc/85/55/96/406855596.db2.gz XEOPVXKVBRQTEH-NXEZZACHSA-N 0 0 314.363 1.701 50 5 DDBARN COC(=O)C1=C(C)n2cnnc2N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000015017287 406878170 /nfs/dbraw/zinc/87/81/70/406878170.db2.gz MPLDILNDCHBBFY-LBPRGKRZSA-N 0 0 315.289 1.757 50 5 DDBARN CC(=O)N[C@@H](C(=O)N(C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000024947472 406892792 /nfs/dbraw/zinc/89/27/92/406892792.db2.gz GNQXSADBHWOFLC-CQSZACIVSA-N 0 0 307.350 1.714 50 5 DDBARN Cc1noc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000026595547 406905675 /nfs/dbraw/zinc/90/56/75/406905675.db2.gz OASBUJCNTFPRQG-UHFFFAOYSA-N 0 0 304.310 1.003 50 5 DDBARN Cc1nn(C)c(N[C@H]2CCCN(c3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000078368502 407026008 /nfs/dbraw/zinc/02/60/08/407026008.db2.gz MVRIJZDHADNCFT-NSHDSACASA-N 0 0 319.369 1.451 50 5 DDBARN COC(=O)c1cccc([N+](=O)[O-])c1CN1CCC[C@@H](C(N)=O)C1 ZINC000052518723 407151679 /nfs/dbraw/zinc/15/16/79/407151679.db2.gz BERHYLKIUWZPFC-SNVBAGLBSA-N 0 0 321.333 1.079 50 5 DDBARN Cc1nc(C)n(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000096009494 407223490 /nfs/dbraw/zinc/22/34/90/407223490.db2.gz QHCAGTZMTCUURG-UHFFFAOYSA-N 0 0 310.335 1.277 50 5 DDBARN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000096483357 407271835 /nfs/dbraw/zinc/27/18/35/407271835.db2.gz FJRSEEKQBWOHDW-VIFPVBQESA-N 0 0 319.358 1.386 50 5 DDBARN CCn1c(=N)c(C(N)=S)cc2c1nc1c(C)cccn1c2=O ZINC000100810572 407308384 /nfs/dbraw/zinc/30/83/84/407308384.db2.gz CGAHOJKDLNODQJ-UHFFFAOYSA-N 0 0 313.386 1.091 50 5 DDBARN CS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000170596353 407446750 /nfs/dbraw/zinc/44/67/50/407446750.db2.gz DKAGDRRHRCEKRG-CHWSQXEVSA-N 0 0 313.379 1.867 50 5 DDBARN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000241588357 407911911 /nfs/dbraw/zinc/91/19/11/407911911.db2.gz PCISXWMUOYSULY-QMMMGPOBSA-N 0 0 304.310 1.120 50 5 DDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000247362502 408456173 /nfs/dbraw/zinc/45/61/73/408456173.db2.gz FBXZUWIEIZAUPJ-JIMOISOXSA-N 0 0 300.318 1.892 50 5 DDBARN CC(=O)N1N=C2[C@@H]([C@@H]1c1ccc([N+](=O)[O-])cc1)N1CCC2CC1 ZINC000019791335 278074872 /nfs/dbraw/zinc/07/48/72/278074872.db2.gz OMTQXFHLBYPEMY-HOTGVXAUSA-N 0 0 314.345 1.948 50 5 DDBARN C[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O ZINC000005711092 278407824 /nfs/dbraw/zinc/40/78/24/278407824.db2.gz JMDWLTUNZHNCTM-SNVBAGLBSA-N 0 0 321.333 1.616 50 5 DDBARN Cc1cc(-c2nn3c(nnc(C)c3=O)s2)ccc1[N+](=O)[O-] ZINC000008394010 280288346 /nfs/dbraw/zinc/28/83/46/280288346.db2.gz VZTQNJFGDVGJLN-UHFFFAOYSA-N 0 0 303.303 1.738 50 5 DDBARN C[C@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 ZINC000084715288 483999786 /nfs/dbraw/zinc/99/97/86/483999786.db2.gz FRGAUQGIEIHKEA-JTQLQIEISA-N 0 0 307.379 1.603 50 5 DDBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000110155498 696639840 /nfs/dbraw/zinc/63/98/40/696639840.db2.gz SBIIVTDLHCIRQB-MRVPVSSYSA-N 0 0 312.238 1.372 50 5 DDBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H](CO)[C@H]1CO ZINC000952994854 721534583 /nfs/dbraw/zinc/53/45/83/721534583.db2.gz VSVYEZOPPASITM-XHDPSFHLSA-N 0 0 317.345 1.713 50 5 DDBARN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000079099428 185158378 /nfs/dbraw/zinc/15/83/78/185158378.db2.gz QZWMXCBEQMQFOW-STQMWFEESA-N 0 0 305.334 1.759 50 5 DDBARN Cc1nn(C)c(N2CCCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000058158429 282270588 /nfs/dbraw/zinc/27/05/88/282270588.db2.gz VIDCJRFJAFWBKT-UHFFFAOYSA-N 0 0 322.394 1.810 50 5 DDBARN Cc1noc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000095442749 185366821 /nfs/dbraw/zinc/36/68/21/185366821.db2.gz SBTCXQADVJJOFM-UHFFFAOYSA-N 0 0 305.294 1.328 50 5 DDBARN CCOC(=O)C[C@@H](C)CNc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000095444772 185366952 /nfs/dbraw/zinc/36/69/52/185366952.db2.gz HFPDZVLHEHUCGH-SECBINFHSA-N 0 0 323.353 1.960 50 5 DDBARN C[C@H]1CN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000000301673 180752540 /nfs/dbraw/zinc/75/25/40/180752540.db2.gz PGLWMWSPUUOAMJ-UWVGGRQHSA-N 0 0 323.374 1.719 50 5 DDBARN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000002898493 180968412 /nfs/dbraw/zinc/96/84/12/180968412.db2.gz FRPPZYHJVXVLNL-RKDXNWHRSA-N 0 0 309.278 1.752 50 5 DDBARN CCOC(=O)c1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1 ZINC000003912565 181058065 /nfs/dbraw/zinc/05/80/65/181058065.db2.gz GKAQGPLSZZASHV-UHFFFAOYSA-N 0 0 303.278 1.887 50 5 DDBARN CC(C)[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004563931 181124647 /nfs/dbraw/zinc/12/46/47/181124647.db2.gz GLKMMQXZQIICQF-JTQLQIEISA-N 0 0 318.333 1.465 50 5 DDBARN C[C@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000004793648 181152703 /nfs/dbraw/zinc/15/27/03/181152703.db2.gz NZSYWTVTFYPJRH-LBPRGKRZSA-N 0 0 313.335 1.294 50 5 DDBARN CCOC(=O)C1=C(C(=O)OC)CN(c2ccc([N+](=O)[O-])cc2)N1 ZINC000004858169 181164698 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Cc1cc(NC(=O)[C@H]2CC2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000044471097 183411783 /nfs/dbraw/zinc/41/17/83/183411783.db2.gz FPYPCVXRXJFOAM-QWHCGFSZSA-N 0 0 300.318 1.844 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc(N)nc(N(C)C)n1 ZINC000054272608 183932669 /nfs/dbraw/zinc/93/26/69/183932669.db2.gz QUYMUAAZESYZCB-UHFFFAOYSA-N 0 0 318.337 1.624 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000000069726 406617667 /nfs/dbraw/zinc/61/76/67/406617667.db2.gz FFGKBMNSYASWIK-JTQLQIEISA-N 0 0 311.319 1.799 50 5 DDBARN COC(=O)c1ccccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000000197051 406629426 /nfs/dbraw/zinc/62/94/26/406629426.db2.gz SWQYWZZYKPDZBA-UHFFFAOYSA-N 0 0 318.289 1.525 50 5 DDBARN O=C(NC(=S)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000000587244 406656332 /nfs/dbraw/zinc/65/63/32/406656332.db2.gz RZGKXZZYSXABRY-SECBINFHSA-N 0 0 309.347 1.378 50 5 DDBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000000613481 406659263 /nfs/dbraw/zinc/65/92/63/406659263.db2.gz 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ZINC000010256004 406820881 /nfs/dbraw/zinc/82/08/81/406820881.db2.gz QVWOEGYJKCMSIJ-LLVKDONJSA-N 0 0 315.285 1.505 50 5 DDBARN O=C1SCCN1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012645523 406849961 /nfs/dbraw/zinc/84/99/61/406849961.db2.gz YTRMTICKSOAWIY-UHFFFAOYSA-N 0 0 322.390 1.843 50 5 DDBARN Cc1c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000014250005 406874755 /nfs/dbraw/zinc/87/47/55/406874755.db2.gz XNBKPWYUIYEOCP-UHFFFAOYSA-N 0 0 324.362 1.457 50 5 DDBARN CCc1[nH]n(C)c2nnc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c1-2 ZINC000072286141 406878250 /nfs/dbraw/zinc/87/82/50/406878250.db2.gz LZQUNTCNEYEBQL-UHFFFAOYSA-N 0 0 318.297 1.051 50 5 DDBARN CC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2=O ZINC000019312836 406884650 /nfs/dbraw/zinc/88/46/50/406884650.db2.gz HVIXHOGZVXKQKA-UHFFFAOYSA-N 0 0 301.346 1.820 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N1CCOCC1 ZINC000026116625 406902494 /nfs/dbraw/zinc/90/24/94/406902494.db2.gz KKAQLOPJNJYPQJ-NSHDSACASA-N 0 0 322.317 1.307 50 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277223810 /nfs/dbraw/zinc/22/38/10/277223810.db2.gz UERUHGQNSLDEPL-UHFFFAOYSA-N 0 0 308.294 1.465 50 5 DDBARN NC(=O)[C@H]1COCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095997012 295159824 /nfs/dbraw/zinc/15/98/24/295159824.db2.gz IJRPOUWWQZGJIP-SNVBAGLBSA-N 0 0 319.239 1.304 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCn2ncnc21 ZINC000069662151 302043582 /nfs/dbraw/zinc/04/35/82/302043582.db2.gz CXUOXWNPMAWSEA-UHFFFAOYSA-N 0 0 323.334 1.094 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC=C(c2cccnc2)C1 ZINC000328593407 231234056 /nfs/dbraw/zinc/23/40/56/231234056.db2.gz XHSBGEHRTQENMJ-UHFFFAOYSA-N 0 0 313.317 1.502 50 5 DDBARN CCc1noc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095432615 185363865 /nfs/dbraw/zinc/36/38/65/185363865.db2.gz YHDTVXDKVFPALP-GFCCVEGCSA-N 0 0 306.322 1.706 50 5 DDBARN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 ZINC000097032549 185399448 /nfs/dbraw/zinc/39/94/48/185399448.db2.gz WQRARKUJSUIFDP-GQCTYLIASA-N 0 0 319.361 1.399 50 5 DDBARN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072307748 191118567 /nfs/dbraw/zinc/11/85/67/191118567.db2.gz DSPVQBNMLIFLLJ-UHFFFAOYSA-N 0 0 315.351 1.377 50 5 DDBARN O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 ZINC000004684933 352112278 /nfs/dbraw/zinc/11/22/78/352112278.db2.gz PMFOFPSTSTXUIC-UHFFFAOYSA-N 0 0 310.701 1.581 50 5 DDBARN COC(=O)C1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000000455699 180796622 /nfs/dbraw/zinc/79/66/22/180796622.db2.gz UZLQSSKSRXFGHR-UHFFFAOYSA-N 0 0 322.317 1.629 50 5 DDBARN O=C(NCc1nnnn1C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000075201398 353351676 /nfs/dbraw/zinc/35/16/76/353351676.db2.gz ACOOXFYEZXLFBG-UHFFFAOYSA-N 0 0 322.712 1.500 50 5 DDBARN Cc1c(C(=O)OCC(=O)N2CCCC2=O)cccc1[N+](=O)[O-] ZINC000003444307 181020737 /nfs/dbraw/zinc/02/07/37/181020737.db2.gz DTIRXFGOASXRDO-UHFFFAOYSA-N 0 0 306.274 1.209 50 5 DDBARN Cc1cc(C(=O)NCC(=O)N[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000097370241 353918689 /nfs/dbraw/zinc/91/86/89/353918689.db2.gz 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ZINC000006582574 181356771 /nfs/dbraw/zinc/35/67/71/181356771.db2.gz XFWSTEWPUBICTE-UHFFFAOYSA-N 0 0 308.319 1.585 50 5 DDBARN O=C(NN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000001392848 284015024 /nfs/dbraw/zinc/01/50/24/284015024.db2.gz IKNIIUAOVIRWNO-UHFFFAOYSA-N 0 0 307.331 1.787 50 5 DDBARN C[C@@](O)(CNc1ccc(F)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000096429650 193638257 /nfs/dbraw/zinc/63/82/57/193638257.db2.gz RWWAOEKZTSOSLT-CQSZACIVSA-N 0 0 313.329 1.229 50 5 DDBARN Cc1cc(C)c(CNC(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000009458643 181622771 /nfs/dbraw/zinc/62/27/71/181622771.db2.gz FPXMGSSDTWFCHS-UHFFFAOYSA-N 0 0 301.302 1.830 50 5 DDBARN Cc1cc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])on1 ZINC000016563774 182048973 /nfs/dbraw/zinc/04/89/73/182048973.db2.gz UYQRMNOYMVDFLH-UHFFFAOYSA-N 0 0 305.246 1.347 50 5 DDBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1 ZINC000019229194 182108737 /nfs/dbraw/zinc/10/87/37/182108737.db2.gz LTASYXQLEPMGKY-ZZXKWVIFSA-N 0 0 305.334 1.056 50 5 DDBARN 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406753088 /nfs/dbraw/zinc/75/30/88/406753088.db2.gz AAMQOFBSKQQGOU-UHFFFAOYSA-N 0 0 316.155 1.882 50 5 DDBARN COCCCNc1nc(NCCCOC)c([N+](=O)[O-])s1 ZINC000069697201 406757693 /nfs/dbraw/zinc/75/76/93/406757693.db2.gz FPWGTDGHICXPEY-UHFFFAOYSA-N 0 0 304.372 1.948 50 5 DDBARN Cc1nn(CC(=O)NC(=O)NCCC(C)C)c(C)c1[N+](=O)[O-] ZINC000009049844 406799927 /nfs/dbraw/zinc/79/99/27/406799927.db2.gz UTHFMTNXMTZVCH-UHFFFAOYSA-N 0 0 311.342 1.280 50 5 DDBARN C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000071913872 406866116 /nfs/dbraw/zinc/86/61/16/406866116.db2.gz WPUWWWWFONZAFO-NSHDSACASA-N 0 0 317.349 1.671 50 5 DDBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C[C@H](C)O1 ZINC000013758670 406867855 /nfs/dbraw/zinc/86/78/55/406867855.db2.gz GHTVZHHGJPMSQY-AOOOYVTPSA-N 0 0 322.369 1.181 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1ccnc1 ZINC000014398993 406875003 /nfs/dbraw/zinc/87/50/03/406875003.db2.gz SWDFGSYXQUMEAA-UHFFFAOYSA-N 0 0 324.362 1.468 50 5 DDBARN C[C@H]1CN(C(=O)CN2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000025612041 406899353 /nfs/dbraw/zinc/89/93/53/406899353.db2.gz KKKJZEOLUSOJOA-NSHDSACASA-N 0 0 305.334 1.205 50 5 DDBARN O=[N+]([O-])c1c[nH]nc1-c1n[nH]c(Nc2ccc3c(c2)OCO3)n1 ZINC000012375171 406841624 /nfs/dbraw/zinc/84/16/24/406841624.db2.gz YOHDCRNZDFDTNT-UHFFFAOYSA-N 0 0 315.249 1.575 50 5 DDBARN CNS(=O)(=O)c1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000032923580 406956658 /nfs/dbraw/zinc/95/66/58/406956658.db2.gz ZBNKVEOVXAABDM-UHFFFAOYSA-N 0 0 322.346 1.510 50 5 DDBARN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000033537698 406962119 /nfs/dbraw/zinc/96/21/19/406962119.db2.gz HJJYEFNLTSOMAR-FRRDWIJNSA-N 0 0 310.350 1.444 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@H](O)c2cccc(Br)c2)n1 ZINC000089774394 407147869 /nfs/dbraw/zinc/14/78/69/407147869.db2.gz PEPGCGCFVUEWHD-VIFPVBQESA-N 0 0 313.111 1.682 50 5 DDBARN Cc1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000053566014 407171043 /nfs/dbraw/zinc/17/10/43/407171043.db2.gz 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O=[N+]([O-])c1c(Cl)ncnc1N1CCN(c2ccccn2)CC1 ZINC000040448192 280353799 /nfs/dbraw/zinc/35/37/99/280353799.db2.gz CNRDHYAHQFPAHY-UHFFFAOYSA-N 0 0 320.740 1.760 50 5 DDBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@](C)(CO)C1CC1 ZINC000084041517 483988355 /nfs/dbraw/zinc/98/83/55/483988355.db2.gz ZJTBLHBLRYGUOM-CYBMUJFWSA-N 0 0 314.363 1.343 50 5 DDBARN CON(C[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000888096922 709212260 /nfs/dbraw/zinc/21/22/60/709212260.db2.gz VWEPNOUKCGUOAD-SNVBAGLBSA-N 0 0 316.335 1.183 50 5 DDBARN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1COCCO1 ZINC000585128916 771960712 /nfs/dbraw/zinc/96/07/12/771960712.db2.gz QXWUVAGSRIGTED-SNVBAGLBSA-N 0 0 318.688 1.419 50 5 DDBARN Cc1nc(N2CCN(Cc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000952877194 775627931 /nfs/dbraw/zinc/62/79/31/775627931.db2.gz MRFCIIMWXAAWRW-UHFFFAOYSA-N 0 0 314.349 1.410 50 5 DDBARN CCc1noc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095432614 185363933 /nfs/dbraw/zinc/36/39/33/185363933.db2.gz 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CC1=C(C(=O)N(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000005523494 275902168 /nfs/dbraw/zinc/90/21/68/275902168.db2.gz KWIBXNWOWJQOMI-GFCCVEGCSA-N 0 0 304.306 1.311 50 5 DDBARN CCc1csc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000585088308 771938281 /nfs/dbraw/zinc/93/82/81/771938281.db2.gz UWRKEQPHIOMICI-QMMMGPOBSA-N 0 0 309.351 1.688 50 5 DDBARN O=c1ccc(C(F)(F)F)nn1CCn1ccc([N+](=O)[O-])n1 ZINC000095437159 185365227 /nfs/dbraw/zinc/36/52/27/185365227.db2.gz ULKSDHGJIHWGBR-UHFFFAOYSA-N 0 0 303.200 1.067 50 5 DDBARN Cn1c2ccccc2c(N2CCSCC2)c([N+](=O)[O-])c1=O ZINC000005576955 282603060 /nfs/dbraw/zinc/60/30/60/282603060.db2.gz HVLRYMVQJYQOQO-UHFFFAOYSA-N 0 0 305.359 2.000 50 5 DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065634 180682048 /nfs/dbraw/zinc/68/20/48/180682048.db2.gz KLYPXVWAKFQJOO-LLVKDONJSA-N 0 0 316.277 1.043 50 5 DDBARN Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000003879080 181051865 /nfs/dbraw/zinc/05/18/65/181051865.db2.gz 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/nfs/dbraw/zinc/21/02/98/182210298.db2.gz FGOCOSHXWLMKRT-UHFFFAOYSA-N 0 0 307.350 1.355 50 5 DDBARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000021839892 182294891 /nfs/dbraw/zinc/29/48/91/182294891.db2.gz ILTDLHDREOBWOH-ZYHUDNBSSA-N 0 0 323.349 1.785 50 5 DDBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000077990748 296254840 /nfs/dbraw/zinc/25/48/40/296254840.db2.gz CFETUFXGBPJGEQ-NSHDSACASA-N 0 0 304.224 1.734 50 5 DDBARN CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(C)=O ZINC000056915916 184021304 /nfs/dbraw/zinc/02/13/04/184021304.db2.gz UQBNDKCIWTXFPG-YPKPFQOOSA-N 0 0 323.330 1.621 50 5 DDBARN Cc1cc(N[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000058370204 184109785 /nfs/dbraw/zinc/10/97/85/184109785.db2.gz KEPJPAUUHYLSNQ-GFCCVEGCSA-N 0 0 313.379 1.739 50 5 DDBARN O=[N+]([O-])c1ccc2nc(N3CCS(=O)(=O)CC3)ccc2c1 ZINC000095409592 285149875 /nfs/dbraw/zinc/14/98/75/285149875.db2.gz YRWXBAAYYWTLHO-UHFFFAOYSA-N 0 0 307.331 1.378 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)c2nccnc2C1=O ZINC000020320374 286384036 /nfs/dbraw/zinc/38/40/36/286384036.db2.gz QZVPXGRAXYUYAM-UHFFFAOYSA-N 0 0 300.230 1.194 50 5 DDBARN Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000000197061 406628331 /nfs/dbraw/zinc/62/83/31/406628331.db2.gz WKKZWEGRRUDACT-UHFFFAOYSA-N 0 0 302.334 1.767 50 5 DDBARN COc1cc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc(OC)c1OC ZINC000000238059 406634405 /nfs/dbraw/zinc/63/44/05/406634405.db2.gz SZSVIAXFXKZOAJ-LLVKDONJSA-N 0 0 323.305 1.575 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000002494790 406690272 /nfs/dbraw/zinc/69/02/72/406690272.db2.gz ZJWYVTVSSGLRAJ-UHFFFAOYSA-N 0 0 304.262 1.467 50 5 DDBARN NC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005711120 406735970 /nfs/dbraw/zinc/73/59/70/406735970.db2.gz SEFTWDXLOFBNBO-UHFFFAOYSA-N 0 0 307.306 1.227 50 5 DDBARN Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000003912676 406719753 /nfs/dbraw/zinc/71/97/53/406719753.db2.gz GUACPIVNKGIDLP-UHFFFAOYSA-N 0 0 300.322 1.294 50 5 DDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCCc1ccccc1 ZINC000004965196 406728936 /nfs/dbraw/zinc/72/89/36/406728936.db2.gz BDQUDCAQDWACFW-UHFFFAOYSA-N 0 0 318.285 1.704 50 5 DDBARN O=C(Nc1cnc(-c2cccc(O)c2)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC000069975711 406799198 /nfs/dbraw/zinc/79/91/98/406799198.db2.gz HKJZTJSCHWUIPC-NEPJUHHUSA-N 0 0 300.274 1.453 50 5 DDBARN CCCc1n[nH]c(C(=O)NC[C@H](O)C2CCCCC2)c1[N+](=O)[O-] ZINC000071890759 406862684 /nfs/dbraw/zinc/86/26/84/406862684.db2.gz GMHGXVCCONKWLM-LBPRGKRZSA-N 0 0 324.381 1.941 50 5 DDBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000014220835 406873302 /nfs/dbraw/zinc/87/33/02/406873302.db2.gz JMIKSBBXZQEPBL-SKDRFNHKSA-N 0 0 300.336 1.441 50 5 DDBARN CNC(=O)c1cnc(C=Cc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000071796363 406844189 /nfs/dbraw/zinc/84/41/89/406844189.db2.gz QZXIYBPWPOEMAM-AATRIKPKSA-N 0 0 300.274 1.208 50 5 DDBARN O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000055452786 407202808 /nfs/dbraw/zinc/20/28/08/407202808.db2.gz CBCWMCXOKZMPJX-KBPBESRZSA-N 0 0 322.336 1.655 50 5 DDBARN Cc1cccc(N(C)C[C@H](O)CN2CCOCC2)c1[N+](=O)[O-] ZINC000225459550 407587690 /nfs/dbraw/zinc/58/76/90/407587690.db2.gz IXWVVBNAUPYWPB-ZDUSSCGKSA-N 0 0 309.366 1.033 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)OC[C@H]1C ZINC000106146990 292586243 /nfs/dbraw/zinc/58/62/43/292586243.db2.gz DHGZIGKHENUBBA-NEPJUHHUSA-N 0 0 307.350 1.951 50 5 DDBARN CC1(C)OC[C@H](Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)O1 ZINC000521393761 421785752 /nfs/dbraw/zinc/78/57/52/421785752.db2.gz RSLXCGYUQMDLCV-JTQLQIEISA-N 0 0 305.290 1.456 50 5 DDBARN COc1cccc([N+](=O)[O-])c1NC(=O)COC[C@H]1CCCO1 ZINC000585124767 771955924 /nfs/dbraw/zinc/95/59/24/771955924.db2.gz RBDBEFPGHDULAX-SNVBAGLBSA-N 0 0 310.306 1.738 50 5 DDBARN O=[N+]([O-])c1cccc([C@@H](O)Cn2nnnc2-c2ccccn2)c1 ZINC000095432550 185363746 /nfs/dbraw/zinc/36/37/46/185363746.db2.gz NNVJKCLOKKRFGS-ZDUSSCGKSA-N 0 0 312.289 1.377 50 5 DDBARN O=[N+]([O-])c1nn(Cc2nnc(C3CC3)o2)cc1Br ZINC000069773085 190814923 /nfs/dbraw/zinc/81/49/23/190814923.db2.gz QNBIMCWBVMLTGW-UHFFFAOYSA-N 0 0 314.099 1.863 50 5 DDBARN COCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000066936481 353026840 /nfs/dbraw/zinc/02/68/40/353026840.db2.gz HGNIAIVUUPCOKI-UHFFFAOYSA-N 0 0 318.351 1.307 50 5 DDBARN CCOC(=O)C[C@H]1ON(C)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004085156 181071184 /nfs/dbraw/zinc/07/11/84/181071184.db2.gz HPTMVJJGWMHTLN-LLVKDONJSA-N 0 0 309.278 1.678 50 5 DDBARN CN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195566540 354297690 /nfs/dbraw/zinc/29/76/90/354297690.db2.gz PPCRMNUPKRHZSR-UHFFFAOYSA-N 0 0 300.318 1.887 50 5 DDBARN CNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097046278 290545013 /nfs/dbraw/zinc/54/50/13/290545013.db2.gz CEMXYFAKLAZWGZ-CKXPSTMWSA-N 0 0 317.345 1.735 50 5 DDBARN O=[N+]([O-])c1ccn(C[C@@H](O)COc2cccc3[nH]ccc32)n1 ZINC000195545774 201404950 /nfs/dbraw/zinc/40/49/50/201404950.db2.gz 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182383480 /nfs/dbraw/zinc/38/34/80/182383480.db2.gz ACGRLCXWLMTPBB-UHFFFAOYSA-N 0 0 321.333 1.006 50 5 DDBARN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC000058365733 184109535 /nfs/dbraw/zinc/10/95/35/184109535.db2.gz PDEZFKOOAHBPQG-UHFFFAOYSA-N 0 0 321.333 1.372 50 5 DDBARN Cc1ccc(NC(=O)CN(C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000058332317 184106570 /nfs/dbraw/zinc/10/65/70/184106570.db2.gz DDQTVRDFRDCIEC-CYBMUJFWSA-N 0 0 307.350 1.953 50 5 DDBARN O=c1c[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] ZINC000002845819 285216109 /nfs/dbraw/zinc/21/61/09/285216109.db2.gz OZEPNOHOSFWRII-UHFFFAOYSA-N 0 0 313.269 1.172 50 5 DDBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 ZINC000006402139 256520165 /nfs/dbraw/zinc/52/01/65/256520165.db2.gz NQHOYYPXJRBREI-ZDUSSCGKSA-N 0 0 321.333 1.010 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000196093 406629713 /nfs/dbraw/zinc/62/97/13/406629713.db2.gz SPFMTSKZHGGCEV-UHFFFAOYSA-N 0 0 304.262 1.467 50 5 DDBARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000860503 406659956 /nfs/dbraw/zinc/65/99/56/406659956.db2.gz JQYAIRPYPJYKND-NSHDSACASA-N 0 0 324.333 1.921 50 5 DDBARN CCOC(=O)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000001067728 406661740 /nfs/dbraw/zinc/66/17/40/406661740.db2.gz ABOOPRMNLKLSKC-UHFFFAOYSA-N 0 0 318.289 1.607 50 5 DDBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C[C@H](C)O1 ZINC000005149838 406732667 /nfs/dbraw/zinc/73/26/67/406732667.db2.gz GHTVZHHGJPMSQY-UWVGGRQHSA-N 0 0 322.369 1.181 50 5 DDBARN Cc1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000009662750 406812908 /nfs/dbraw/zinc/81/29/08/406812908.db2.gz YQEFTPLHTBWGHM-GHMZBOCLSA-N 0 0 309.322 1.313 50 5 DDBARN Nc1nc(Nc2cccc(Cl)c2)nc(NCCO)c1[N+](=O)[O-] ZINC000009411357 406809825 /nfs/dbraw/zinc/80/98/25/406809825.db2.gz TZLRGFTYOCMVES-UHFFFAOYSA-N 0 0 324.728 1.768 50 5 DDBARN O=[N+]([O-])c1cccnc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000025067421 406892713 /nfs/dbraw/zinc/89/27/13/406892713.db2.gz OAXSLFXQPPWCGU-TZMCWYRMSA-N 0 0 322.365 1.139 50 5 DDBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCN1CCOCC1 ZINC000033922138 406962741 /nfs/dbraw/zinc/96/27/41/406962741.db2.gz CDAMHJUPEUBGLH-WAYWQWQTSA-N 0 0 319.361 1.447 50 5 DDBARN COc1ccc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089340255 407131413 /nfs/dbraw/zinc/13/14/13/407131413.db2.gz WOXWUJYSSYAVNF-YPMHNXCESA-N 0 0 308.334 1.836 50 5 DDBARN CCc1csc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000095426837 407212964 /nfs/dbraw/zinc/21/29/64/407212964.db2.gz XHCOHBHTVSVNBJ-UHFFFAOYSA-N 0 0 310.339 1.632 50 5 DDBARN COC[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000096431054 407265639 /nfs/dbraw/zinc/26/56/39/407265639.db2.gz RCMOQTAJEQMOKF-ZDUSSCGKSA-N 0 0 321.377 1.916 50 5 DDBARN O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000106869755 407363783 /nfs/dbraw/zinc/36/37/83/407363783.db2.gz FYGOPLWBHSLLPV-GBIKHYSHSA-N 0 0 311.288 1.325 50 5 DDBARN O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000106869748 407364147 /nfs/dbraw/zinc/36/41/47/407364147.db2.gz FYGOPLWBHSLLPV-NRUUGDAUSA-N 0 0 311.288 1.325 50 5 DDBARN COCCN1CC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000170613846 407453905 /nfs/dbraw/zinc/45/39/05/407453905.db2.gz IXEHFLCLMGAWOY-UHFFFAOYSA-N 0 0 313.697 1.663 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000170619297 407457950 /nfs/dbraw/zinc/45/79/50/407457950.db2.gz JZWYDOVGAFDEDO-LBPRGKRZSA-N 0 0 316.317 1.740 50 5 DDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC(n2cncn2)CC1 ZINC000241776935 407913257 /nfs/dbraw/zinc/91/32/57/407913257.db2.gz RTQRIMNHNRLVMT-UHFFFAOYSA-N 0 0 301.306 1.664 50 5 DDBARN CNc1nccc(C(=O)NCC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000240934428 407910918 /nfs/dbraw/zinc/91/09/18/407910918.db2.gz JCAADDQIUXCAQQ-UHFFFAOYSA-N 0 0 310.207 1.662 50 5 DDBARN COC(=O)/C=C\c1ccc(-n2cnc([N+](=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000104247487 418497136 /nfs/dbraw/zinc/49/71/36/418497136.db2.gz MUEDKCFUNDYJNR-HYXAFXHYSA-N 0 0 319.233 1.270 50 5 DDBARN Nc1n[nH]c(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000328593878 418605156 /nfs/dbraw/zinc/60/51/56/418605156.db2.gz UNPQYIWLEJWCLA-UHFFFAOYSA-N 0 0 316.243 1.969 50 5 DDBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c1cccc2F ZINC000302129250 230110994 /nfs/dbraw/zinc/11/09/94/230110994.db2.gz AQMQAGVWCGCJMX-UHFFFAOYSA-N 0 0 302.265 1.922 50 5 DDBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCO)CC1 ZINC000019771157 275033151 /nfs/dbraw/zinc/03/31/51/275033151.db2.gz CSQYNPKWTDSSNB-UHFFFAOYSA-N 0 0 319.283 1.728 50 5 DDBARN Cc1cc(C)nc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000012535411 278681985 /nfs/dbraw/zinc/68/19/85/278681985.db2.gz LSYBQROWTJMWLU-UHFFFAOYSA-N 0 0 317.353 1.062 50 5 DDBARN CC(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000093047828 280605110 /nfs/dbraw/zinc/60/51/10/280605110.db2.gz KAPJNZQGAHHTEL-UHFFFAOYSA-N 0 0 312.391 1.949 50 5 DDBARN CN(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000033224755 282001858 /nfs/dbraw/zinc/00/18/58/282001858.db2.gz UACHFASXBIVCSL-UHFFFAOYSA-N 0 0 320.086 1.901 50 5 DDBARN C[C@H]1CCCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000005218638 290455285 /nfs/dbraw/zinc/45/52/85/290455285.db2.gz VJIONZVYLIUJJI-JTQLQIEISA-N 0 0 306.370 1.804 50 5 DDBARN [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N1 ZINC000018053638 295210707 /nfs/dbraw/zinc/21/07/07/295210707.db2.gz GIANUNRALKBLRR-CYBMUJFWSA-N 0 0 324.300 1.746 50 5 DDBARN Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@]2(O)N1CCC[C@H](C)C1 ZINC000012473768 301430027 /nfs/dbraw/zinc/43/00/27/301430027.db2.gz BQFKSLBLOMEADE-VFZGTOFNSA-N 0 0 305.334 1.732 50 5 DDBARN CCCNC(=O)[C@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096871578 696604678 /nfs/dbraw/zinc/60/46/78/696604678.db2.gz CDRAKZKSBOEREF-TVRMLOFPSA-N 0 0 305.334 1.639 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000079052453 185149779 /nfs/dbraw/zinc/14/97/79/185149779.db2.gz RWTXTNVTURPEAZ-LLVKDONJSA-N 0 0 319.321 1.207 50 5 DDBARN CN(C)C(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000095456948 185370287 /nfs/dbraw/zinc/37/02/87/185370287.db2.gz IJKMQJQHJHJJRY-UHFFFAOYSA-N 0 0 301.734 1.351 50 5 DDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000071185673 190938511 /nfs/dbraw/zinc/93/85/11/190938511.db2.gz NULKNRLGQZZNSH-NSHDSACASA-N 0 0 306.318 1.820 50 5 DDBARN CC(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000285276 180747237 /nfs/dbraw/zinc/74/72/37/180747237.db2.gz IMEGVVMILXCGGN-UHFFFAOYSA-N 0 0 319.361 1.925 50 5 DDBARN COCc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000000474384 180802619 /nfs/dbraw/zinc/80/26/19/180802619.db2.gz UUJZLZFZCZKKJJ-UHFFFAOYSA-N 0 0 308.319 1.774 50 5 DDBARN Cc1nn(CCC(=O)N(C)Cc2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000002780529 180956359 /nfs/dbraw/zinc/95/63/59/180956359.db2.gz VLNKXOMOLFHQLA-UHFFFAOYSA-N 0 0 320.353 1.190 50 5 DDBARN O=C(NCc1nnnn1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000078949769 353542763 /nfs/dbraw/zinc/54/27/63/353542763.db2.gz CQMSJSQPKNLHEN-UHFFFAOYSA-N 0 0 322.712 1.500 50 5 DDBARN COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000003335660 181007632 /nfs/dbraw/zinc/00/76/32/181007632.db2.gz XFHCEZZUGYYJMX-UHFFFAOYSA-N 0 0 304.258 1.971 50 5 DDBARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000004317484 181097329 /nfs/dbraw/zinc/09/73/29/181097329.db2.gz XWLSOOABCCZCOU-UHFFFAOYSA-N 0 0 324.296 1.761 50 5 DDBARN CCOC(=O)c1nnsc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004476224 181112228 /nfs/dbraw/zinc/11/22/28/181112228.db2.gz PMBZNCLCTIOYDB-UHFFFAOYSA-N 0 0 322.302 1.875 50 5 DDBARN COC(=O)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000004653653 181132024 /nfs/dbraw/zinc/13/20/24/181132024.db2.gz QMHCVEVRRBKFQI-CYBMUJFWSA-N 0 0 321.333 1.561 50 5 DDBARN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005250774 181221956 /nfs/dbraw/zinc/22/19/56/181221956.db2.gz QDZRKPVWZOOYHJ-UHFFFAOYSA-N 0 0 317.276 1.989 50 5 DDBARN COC(=O)c1cc(Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)s1 ZINC000096467971 193658887 /nfs/dbraw/zinc/65/88/87/193658887.db2.gz ARGSFMWRCSZQPB-UHFFFAOYSA-N 0 0 308.315 1.961 50 5 DDBARN O=C(Cn1cnc([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12 ZINC000025451826 182415775 /nfs/dbraw/zinc/41/57/75/182415775.db2.gz UEDHGINQWQFHFZ-UHFFFAOYSA-N 0 0 313.317 1.632 50 5 DDBARN CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000033210195 182696314 /nfs/dbraw/zinc/69/63/14/182696314.db2.gz CEMXYFAKLAZWGZ-MYSGNRETSA-N 0 0 317.345 1.735 50 5 DDBARN CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054253803 183931672 /nfs/dbraw/zinc/93/16/72/183931672.db2.gz KFGSRRBPJTWZRN-LBPRGKRZSA-N 0 0 307.306 1.171 50 5 DDBARN O=[N+]([O-])c1ccc(CN2CCOCCOCCOCC2)cc1 ZINC000056934375 184022201 /nfs/dbraw/zinc/02/22/01/184022201.db2.gz ADVUCUCSVSOBQR-UHFFFAOYSA-N 0 0 310.350 1.460 50 5 DDBARN CC1(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)COC1 ZINC000058160953 184081945 /nfs/dbraw/zinc/08/19/45/184081945.db2.gz LNVCDTNDIIJOEP-UHFFFAOYSA-N 0 0 317.301 1.974 50 5 DDBARN COC(=O)[C@@H]1C[C@@H](O)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302808891 533041723 /nfs/dbraw/zinc/04/17/23/533041723.db2.gz YBJJIBFPJLGYKT-KCJUWKMLSA-N 0 0 300.698 1.361 50 5 DDBARN C[C@@H](CN1CCOC1=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069581228 184816884 /nfs/dbraw/zinc/81/68/84/184816884.db2.gz CCPVUGAGNPCJTQ-VIFPVBQESA-N 0 0 308.294 1.557 50 5 DDBARN COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000071141 406617558 /nfs/dbraw/zinc/61/75/58/406617558.db2.gz MVYFIINDUQMKTL-LBPRGKRZSA-N 0 0 321.358 1.903 50 5 DDBARN Cc1ccnn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002782395 406701675 /nfs/dbraw/zinc/70/16/75/406701675.db2.gz LHDQPKCEQIQOOC-UHFFFAOYSA-N 0 0 324.362 1.468 50 5 DDBARN Cc1nc(NCCO)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005276879 406732540 /nfs/dbraw/zinc/73/25/40/406732540.db2.gz DCBRNVWXWRTNPV-UHFFFAOYSA-N 0 0 303.322 1.865 50 5 DDBARN Cc1ccc(F)c(-n2nnnc2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000069437332 406712284 /nfs/dbraw/zinc/71/22/84/406712284.db2.gz QKFNDOSTRXSCTK-UHFFFAOYSA-N 0 0 303.257 1.263 50 5 DDBARN Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000004059599 406723274 /nfs/dbraw/zinc/72/32/74/406723274.db2.gz HCUGAHDVLUMWBR-UHFFFAOYSA-N 0 0 318.312 1.433 50 5 DDBARN CNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000008055841 406776464 /nfs/dbraw/zinc/77/64/64/406776464.db2.gz MLYXBEZPMNWSPU-VIFPVBQESA-N 0 0 315.351 1.094 50 5 DDBARN NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 ZINC000009316427 406807109 /nfs/dbraw/zinc/80/71/09/406807109.db2.gz RNWBETLKSRWROI-UHFFFAOYSA-N 0 0 324.296 1.760 50 5 DDBARN COC(=O)[C@@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000008770632 406795348 /nfs/dbraw/zinc/79/53/48/406795348.db2.gz WBWXMZVBUTZUKE-LBPRGKRZSA-N 0 0 310.306 1.531 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1 ZINC000012539084 406846293 /nfs/dbraw/zinc/84/62/93/406846293.db2.gz SHAIJKSHOQRBRO-UHFFFAOYSA-N 0 0 323.349 1.516 50 5 DDBARN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 ZINC000012910832 406854843 /nfs/dbraw/zinc/85/48/43/406854843.db2.gz JRZBORYZJDVUSI-MRVPVSSYSA-N 0 0 321.289 1.128 50 5 DDBARN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cnnc1[S@](C)=O ZINC000071899892 406864489 /nfs/dbraw/zinc/86/44/89/406864489.db2.gz XPCXNCXALHTYKZ-JOCHJYFZSA-N 0 0 324.362 1.759 50 5 DDBARN CC[C@H](C)[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000071920882 406868068 /nfs/dbraw/zinc/86/80/68/406868068.db2.gz WKRQDHAEICEHBO-VHSXEESVSA-N 0 0 306.322 1.422 50 5 DDBARN CC(=O)N1CCC(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000025253619 406896031 /nfs/dbraw/zinc/89/60/31/406896031.db2.gz LNIGXEGRQAIPKZ-UHFFFAOYSA-N 0 0 319.361 1.812 50 5 DDBARN CCNC(=O)NC(=O)CN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967512 406935977 /nfs/dbraw/zinc/93/59/77/406935977.db2.gz BHMDVHCSGUNPRU-UHFFFAOYSA-N 0 0 308.338 1.262 50 5 DDBARN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000033537700 406962146 /nfs/dbraw/zinc/96/21/46/406962146.db2.gz HJJYEFNLTSOMAR-UPJWGTAASA-N 0 0 310.350 1.444 50 5 DDBARN CC1(C)Cc2cccc(OCCNC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2O1 ZINC000044502475 407025653 /nfs/dbraw/zinc/02/56/53/407025653.db2.gz HUQNOPKQHOBVBT-RYUDHWBXSA-N 0 0 320.345 1.560 50 5 DDBARN O=C([C@H]1CCCN1c1ccncc1[N+](=O)[O-])N1CCSCC1 ZINC000079089673 407049911 /nfs/dbraw/zinc/04/99/11/407049911.db2.gz JNZQODFRHSBYDY-GFCCVEGCSA-N 0 0 322.390 1.534 50 5 DDBARN Cc1nn(C)c(N2CCN(c3ccccc3O)CC2)c1[N+](=O)[O-] ZINC000047330970 407072987 /nfs/dbraw/zinc/07/29/87/407072987.db2.gz PPCGVNTUEXMFON-UHFFFAOYSA-N 0 0 317.349 1.669 50 5 DDBARN COc1ccc2c(c1)CN(c1ncc([N+](=O)[O-])c(N)n1)CC2 ZINC000065414254 407243336 /nfs/dbraw/zinc/24/33/36/407243336.db2.gz JXPRHALYNJRMKY-UHFFFAOYSA-N 0 0 301.306 1.538 50 5 DDBARN CCO[C@@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000096418947 407262872 /nfs/dbraw/zinc/26/28/72/407262872.db2.gz VDOHUZIDYKLHJE-CHWSQXEVSA-N 0 0 324.381 1.843 50 5 DDBARN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000068029424 407294090 /nfs/dbraw/zinc/29/40/90/407294090.db2.gz GLBHYCZAOCSYMW-BNOWGMLFSA-N 0 0 323.393 1.339 50 5 DDBARN Cc1n[nH]c(C(=O)N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000069874421 280189984 /nfs/dbraw/zinc/18/99/84/280189984.db2.gz SEDWNZSMUDJDNS-GFCCVEGCSA-N 0 0 300.318 1.914 50 5 DDBARN O=c1cc(CN2CCNC(=O)C2)c2c(ccc3ccccc32)o1 ZINC000016585509 280393346 /nfs/dbraw/zinc/39/33/46/280393346.db2.gz WUQDTBVJMVRPMY-UHFFFAOYSA-N 0 0 308.337 1.878 50 5 DDBARN Cc1nnc(CN2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000096005706 293265419 /nfs/dbraw/zinc/26/54/19/293265419.db2.gz SNOKSXFDWKXEBF-UHFFFAOYSA-N 0 0 317.353 1.047 50 5 DDBARN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC12CCCC2 ZINC000170605183 295357145 /nfs/dbraw/zinc/35/71/45/295357145.db2.gz FQEURHBFWLJUDX-UHFFFAOYSA-N 0 0 305.334 1.962 50 5 DDBARN COCCOc1ccc(CNc2ncccc2[N+](=O)[O-])nn1 ZINC000585092068 483919929 /nfs/dbraw/zinc/91/99/29/483919929.db2.gz DBMYBCZBYKEKEH-UHFFFAOYSA-N 0 0 305.294 1.417 50 5 DDBARN CC(C)CNC(=O)COC(=O)/C=C\c1ccccc1[N+](=O)[O-] 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DDBARN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000131396083 354099623 /nfs/dbraw/zinc/09/96/23/354099623.db2.gz WGFQOYIHDPQACK-LLVKDONJSA-N 0 0 313.379 1.421 50 5 DDBARN O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1[N+](=O)[O-] ZINC000004263893 181089425 /nfs/dbraw/zinc/08/94/25/181089425.db2.gz QSSWBAOCRLPDAO-UHFFFAOYSA-N 0 0 311.253 1.731 50 5 DDBARN O=C1NC(=S)NC1=Cc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000224296363 354316098 /nfs/dbraw/zinc/31/60/98/354316098.db2.gz HOJNPHZSJWZQDF-WDZFZDKYSA-N 0 0 300.299 1.488 50 5 DDBARN NC(=O)[C@@H](F)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000585132597 354810382 /nfs/dbraw/zinc/81/03/82/354810382.db2.gz CRIGXFUUWVEIKN-JTQLQIEISA-N 0 0 316.720 1.683 50 5 DDBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004950958 181178231 /nfs/dbraw/zinc/17/82/31/181178231.db2.gz PPBNQKLDXXHPMH-GFCCVEGCSA-N 0 0 305.290 1.786 50 5 DDBARN Cc1cc(=O)n(C)c(=O)n1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000005724663 181277156 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CCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000069417689 184513256 /nfs/dbraw/zinc/51/32/56/184513256.db2.gz XEWVZPXRUKDPFZ-JTQLQIEISA-N 0 0 304.393 1.665 50 5 DDBARN COCCOCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294818421 533083135 /nfs/dbraw/zinc/08/31/35/533083135.db2.gz KEDXYSZMHAUIEE-UHFFFAOYSA-N 0 0 316.741 1.949 50 5 DDBARN CCn1ncc(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)c1C ZINC000002793929 406700676 /nfs/dbraw/zinc/70/06/76/406700676.db2.gz RWNXAZAGRBHHPM-UHFFFAOYSA-N 0 0 320.353 1.331 50 5 DDBARN CCn1cc(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)n1 ZINC000002805198 406700684 /nfs/dbraw/zinc/70/06/84/406700684.db2.gz ZRFTUEIOMGUCFP-UHFFFAOYSA-N 0 0 320.353 1.331 50 5 DDBARN Cn1c(=O)c([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)n(C)c1=O ZINC000004132110 406723161 /nfs/dbraw/zinc/72/31/61/406723161.db2.gz MFEKLZGOECMWCA-VMPITWQZSA-N 0 0 321.720 1.816 50 5 DDBARN CC(C)CN(CC(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000007984892 406775062 /nfs/dbraw/zinc/77/50/62/406775062.db2.gz 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/nfs/dbraw/zinc/93/48/09/406934809.db2.gz IBVDQUDICHYDFM-UHFFFAOYSA-N 0 0 315.333 1.990 50 5 DDBARN NC(=O)[C@@H]1C[C@@H](O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033010936 406958916 /nfs/dbraw/zinc/95/89/16/406958916.db2.gz IDTPKXCYXFDUOD-XCBNKYQSSA-N 0 0 319.239 1.039 50 5 DDBARN O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000097081103 407279050 /nfs/dbraw/zinc/27/90/50/407279050.db2.gz KSZYKYFSIRVPPV-AWEZNQCLSA-N 0 0 315.285 1.997 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101362077 407309184 /nfs/dbraw/zinc/30/91/84/407309184.db2.gz SIUSNGSTZSJBRN-PHIMTYICSA-N 0 0 306.322 1.275 50 5 DDBARN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000151721021 407485752 /nfs/dbraw/zinc/48/57/52/407485752.db2.gz VRISXUPQKPCHHJ-SNVBAGLBSA-N 0 0 311.342 1.000 50 5 DDBARN CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000178274887 408797260 /nfs/dbraw/zinc/79/72/60/408797260.db2.gz RFSSVGDDJDJEHI-UHFFFAOYSA-N 0 0 309.141 1.656 50 5 DDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000048264312 418468291 /nfs/dbraw/zinc/46/82/91/418468291.db2.gz GYJQTSBVQZWZCD-ILXRZTDVSA-N 0 0 304.346 1.624 50 5 DDBARN CC(=O)c1ccc(N[C@H](CO)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000408523368 418808889 /nfs/dbraw/zinc/80/88/89/418808889.db2.gz JMXYBJVJJQPVJC-ZDUSSCGKSA-N 0 0 318.333 1.546 50 5 DDBARN Cc1nn(CCNS(=O)(=O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000298695218 228704038 /nfs/dbraw/zinc/70/40/38/228704038.db2.gz FHXRQQWDYXUZDH-UHFFFAOYSA-N 0 0 324.362 1.387 50 5 DDBARN Nc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054491242 274966917 /nfs/dbraw/zinc/96/69/17/274966917.db2.gz QFNODXBSGFXOPN-UHFFFAOYSA-N 0 0 314.349 1.289 50 5 DDBARN CC(=O)N1C(=O)NC(C)=C([N+](=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005296303 276952905 /nfs/dbraw/zinc/95/29/05/276952905.db2.gz OHWCHLOJRAAHTI-GFCCVEGCSA-N 0 0 320.261 1.716 50 5 DDBARN COc1ncnc2c1N[C@H](NN)c1cc([N+](=O)[O-])ccc1S2 ZINC000019171944 278099709 /nfs/dbraw/zinc/09/97/09/278099709.db2.gz VYKISZJVRVECKQ-SNVBAGLBSA-N 0 0 320.334 1.432 50 5 DDBARN CC1(C)CCN(c2ncc([N+](=O)[O-])s2)CCS1(=O)=O ZINC000192552915 278260884 /nfs/dbraw/zinc/26/08/84/278260884.db2.gz QSSOROOCLHILCT-UHFFFAOYSA-N 0 0 305.381 1.455 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(N)=O)CC1 ZINC000078387996 483970037 /nfs/dbraw/zinc/97/00/37/483970037.db2.gz BOHSVNUUBQQJPW-UHFFFAOYSA-N 0 0 322.321 1.333 50 5 DDBARN CCOC[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000328597061 529028176 /nfs/dbraw/zinc/02/81/76/529028176.db2.gz CZIPJCRLRGKVCK-SMDDNHRTSA-N 0 0 308.334 1.513 50 5 DDBARN O=[N+]([O-])c1ccc(CN2CCN(c3ncccn3)CC2)s1 ZINC000022591644 696078634 /nfs/dbraw/zinc/07/86/34/696078634.db2.gz KSMMLVOYOVRDOP-UHFFFAOYSA-N 0 0 305.363 1.769 50 5 DDBARN O=C(NCc1ccco1)[C@H]1CCCN1c1ccncc1[N+](=O)[O-] ZINC000079052435 185149690 /nfs/dbraw/zinc/14/96/90/185149690.db2.gz JJRLYTFYEWMTNV-CYBMUJFWSA-N 0 0 316.317 1.868 50 5 DDBARN CCOC(=O)C[C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000089983641 185274516 /nfs/dbraw/zinc/27/45/16/185274516.db2.gz CUWMYRIDFKKMGC-SNVBAGLBSA-N 0 0 323.349 1.805 50 5 DDBARN Cc1[nH]c2ccccc2c1C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000075094103 353347242 /nfs/dbraw/zinc/34/72/42/353347242.db2.gz ZZWNZCOIOLTEDA-UHFFFAOYSA-N 0 0 315.289 1.833 50 5 DDBARN O=C(OCCn1cnc([N+](=O)[O-])n1)c1cccc2cc[nH]c21 ZINC000079014829 353546999 /nfs/dbraw/zinc/54/69/99/353546999.db2.gz HWGMSCXTMQRGNB-UHFFFAOYSA-N 0 0 301.262 1.525 50 5 DDBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccco1 ZINC000003312887 181003842 /nfs/dbraw/zinc/00/38/42/181003842.db2.gz IKVIOYOUYBVPDA-UHFFFAOYSA-N 0 0 304.258 1.661 50 5 DDBARN NC(=O)c1ccc(Sc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC000003342085 181008263 /nfs/dbraw/zinc/00/82/63/181008263.db2.gz UAEZTPZSUKKATI-UHFFFAOYSA-N 0 0 315.314 1.888 50 5 DDBARN O=C(CSC1=NCCS1)Nc1ncc([N+](=O)[O-])s1 ZINC000004174330 181081541 /nfs/dbraw/zinc/08/15/41/181081541.db2.gz XCLDANGGSHUEHY-UHFFFAOYSA-N 0 0 304.378 1.826 50 5 DDBARN Nc1nc(NC[C@@H]2CCCO2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000004306206 181094903 /nfs/dbraw/zinc/09/49/03/181094903.db2.gz VUNKYXUMSZENDN-VIFPVBQESA-N 0 0 308.342 1.158 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1C=C([O-])NC(=[NH2+])S1 ZINC000004352472 181101395 /nfs/dbraw/zinc/10/13/95/181101395.db2.gz AOYMLOSSSDVOHK-SECBINFHSA-N 0 0 308.319 1.189 50 5 DDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O ZINC000015940945 182025750 /nfs/dbraw/zinc/02/57/50/182025750.db2.gz UIDBMZAEKKZJNY-CMDGGOBGSA-N 0 0 317.345 1.737 50 5 DDBARN O=C(NCc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000017167818 182077882 /nfs/dbraw/zinc/07/78/82/182077882.db2.gz QNCJAMNOXRDLJJ-UHFFFAOYSA-N 0 0 315.285 1.691 50 5 DDBARN O=[N+]([O-])c1ccc(NCCN2CCOCC2)c2ccncc21 ZINC000023508490 182362338 /nfs/dbraw/zinc/36/23/38/182362338.db2.gz HESGBGRGTFKXOQ-UHFFFAOYSA-N 0 0 302.334 1.887 50 5 DDBARN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000056288360 184009332 /nfs/dbraw/zinc/00/93/32/184009332.db2.gz WFPOTFZCMSGLFJ-ZDUSSCGKSA-N 0 0 319.361 1.810 50 5 DDBARN CS(=O)(=O)N1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058440339 184118789 /nfs/dbraw/zinc/11/87/89/184118789.db2.gz LBUYPYHEUALUGB-SNVBAGLBSA-N 0 0 317.342 1.570 50 5 DDBARN CC[C@H]1CN(C(=O)CNc2ccc(F)c([N+](=O)[O-])c2)CCO1 ZINC000058440945 184119072 /nfs/dbraw/zinc/11/90/72/184119072.db2.gz RBZVFWPYKDMPLF-NSHDSACASA-N 0 0 311.313 1.783 50 5 DDBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c2ncccc12 ZINC000003880397 285097689 /nfs/dbraw/zinc/09/76/89/285097689.db2.gz MCGIKONWYKDOFW-UHFFFAOYSA-N 0 0 304.262 1.888 50 5 DDBARN C[C@@H]1C[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271643943 209087970 /nfs/dbraw/zinc/08/79/70/209087970.db2.gz YRUCMHNMICMPDL-VXGBXAGGSA-N 0 0 308.334 1.905 50 5 DDBARN O=C(COn1nnc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000000265727 406636215 /nfs/dbraw/zinc/63/62/15/406636215.db2.gz VPBVQTYEUYNIPZ-UHFFFAOYSA-N 0 0 304.287 1.713 50 5 DDBARN C[C@@H]([C@H](O)c1cc(=O)c(OCc2ccccc2)co1)[N+](=O)[O-] ZINC000000480938 406650263 /nfs/dbraw/zinc/65/02/63/406650263.db2.gz ZBINPMGAVPHASE-BONVTDFDSA-N 0 0 305.286 1.917 50 5 DDBARN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1cc([N+](=O)[O-])cn1 ZINC000001424776 406668762 /nfs/dbraw/zinc/66/87/62/406668762.db2.gz PILQMKCWFIOUDZ-QMMMGPOBSA-N 0 0 304.262 1.720 50 5 DDBARN Cc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000002776758 406698918 /nfs/dbraw/zinc/69/89/18/406698918.db2.gz XBJKYEGIBYBTTB-UHFFFAOYSA-N 0 0 320.353 1.259 50 5 DDBARN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)n1cc([N+](=O)[O-])cn1 ZINC000000355696 406642914 /nfs/dbraw/zinc/64/29/14/406642914.db2.gz DPBCVKLJPZXKPL-QMMMGPOBSA-N 0 0 303.278 1.090 50 5 DDBARN CNc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000069528487 406729339 /nfs/dbraw/zinc/72/93/39/406729339.db2.gz NHRMGUYXDWTXSU-JTQLQIEISA-N 0 0 320.349 1.377 50 5 DDBARN O=C(Nc1ccc(O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000010327287 406821285 /nfs/dbraw/zinc/82/12/85/406821285.db2.gz QPOXSDDALJABNH-UHFFFAOYSA-N 0 0 301.258 1.878 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(CN3CCOC3=S)CC2)cc1 ZINC000012645510 406849931 /nfs/dbraw/zinc/84/99/31/406849931.db2.gz BCTAWGXMFWSVKA-UHFFFAOYSA-N 0 0 322.390 1.291 50 5 DDBARN Nc1nc(NC[C@H]2CCN(c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000075572663 406935657 /nfs/dbraw/zinc/93/56/57/406935657.db2.gz SAMZZXURNNCOLP-LLVKDONJSA-N 0 0 314.349 1.905 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1CCO[C@H](C)C1 ZINC000031460758 406940713 /nfs/dbraw/zinc/94/07/13/406940713.db2.gz XLTNFYWWDOBYEW-LLVKDONJSA-N 0 0 308.334 1.838 50 5 DDBARN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCS1(=O)=O ZINC000078552125 407032742 /nfs/dbraw/zinc/03/27/42/407032742.db2.gz BFVQYXCBLBCJGB-UHFFFAOYSA-N 0 0 314.363 1.918 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccccn1 ZINC000078556360 407034289 /nfs/dbraw/zinc/03/42/89/407034289.db2.gz NHAKARJSZNLJRD-UHFFFAOYSA-N 0 0 308.315 1.972 50 5 DDBARN CCOCCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033592 407053358 /nfs/dbraw/zinc/05/33/58/407053358.db2.gz UTMLCMAZWMFMOT-UHFFFAOYSA-N 0 0 302.352 1.608 50 5 DDBARN O=[N+]([O-])c1ncn(C[C@H](O)Cc2ccccc2C(F)(F)F)n1 ZINC000095438929 407214090 /nfs/dbraw/zinc/21/40/90/407214090.db2.gz NKCUMJIQBCGRLL-SECBINFHSA-N 0 0 316.239 1.809 50 5 DDBARN Cc1cc2ncn(C[C@H](O)Cn3cnc([N+](=O)[O-])n3)c2cc1C ZINC000095438918 407214630 /nfs/dbraw/zinc/21/46/30/407214630.db2.gz MLUSMUQELSDNGL-NSHDSACASA-N 0 0 316.321 1.214 50 5 DDBARN COc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1[O-] ZINC000097162649 407284035 /nfs/dbraw/zinc/28/40/35/407284035.db2.gz QBSXFIDYHQASER-ZYHUDNBSSA-N 0 0 309.366 1.868 50 5 DDBARN CN(C)c1ccc(C(=O)N=c2sccn2C)cc1[N+](=O)[O-] ZINC000254879214 407466452 /nfs/dbraw/zinc/46/64/52/407466452.db2.gz GRHGCPJLPFIBNI-UHFFFAOYSA-N 0 0 306.347 1.802 50 5 DDBARN Cc1cccc(C(=O)NC[C@H](C)N2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000247989254 408525520 /nfs/dbraw/zinc/52/55/20/408525520.db2.gz LRUFIUVFTWMKNN-QWHCGFSZSA-N 0 0 321.377 1.742 50 5 DDBARN CC(C)(C)N1OC[C@@H]2CO[C@@](O)(c3ccc([N+](=O)[O-])cc3)[C@H]21 ZINC000248251645 408546563 /nfs/dbraw/zinc/54/65/63/408546563.db2.gz SMEISUOGAMZPQO-XEGUGMAKSA-N 0 0 308.334 1.801 50 5 DDBARN O=[N+]([O-])c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 ZINC000102199121 418494589 /nfs/dbraw/zinc/49/45/89/418494589.db2.gz FBVUMYUYFCPDFJ-UHFFFAOYSA-N 0 0 311.344 1.641 50 5 DDBARN CC(=O)N[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048274221 418468689 /nfs/dbraw/zinc/46/86/89/418468689.db2.gz SAEUZKBTBNTWAW-CYBMUJFWSA-N 0 0 317.349 1.503 50 5 DDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000239654227 222210851 /nfs/dbraw/zinc/21/08/51/222210851.db2.gz BMYRNXSILSAQLG-YWPYICTPSA-N 0 0 314.345 1.693 50 5 DDBARN CC(C)(C)N1OC[C@@H]2CO[C@@](O)(c3ccc([N+](=O)[O-])cc3)[C@@H]21 ZINC000019898166 277164418 /nfs/dbraw/zinc/16/44/18/277164418.db2.gz SMEISUOGAMZPQO-ZBINZKHDSA-N 0 0 308.334 1.801 50 5 DDBARN C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000040501688 297066224 /nfs/dbraw/zinc/06/62/24/297066224.db2.gz VLWVZMPLWRGEKK-NXEZZACHSA-N 0 0 300.336 1.393 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000278190315 214013048 /nfs/dbraw/zinc/01/30/48/214013048.db2.gz BXKOHMLGJQFJTI-UHFFFAOYSA-N 0 0 303.274 1.836 50 5 DDBARN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2c1cccc2O ZINC000072277944 191099441 /nfs/dbraw/zinc/09/94/41/191099441.db2.gz WJSDZAITAZTIEX-CYBMUJFWSA-N 0 0 316.317 1.691 50 5 DDBARN O=[N+]([O-])c1cnn(CCc2nc3c4ccccc4ncn3n2)c1 ZINC000002730983 180949987 /nfs/dbraw/zinc/94/99/87/180949987.db2.gz YPGKDVAOSXBZLA-UHFFFAOYSA-N 0 0 309.289 1.625 50 5 DDBARN COc1cc(Nc2ncnc(N)c2[N+](=O)[O-])cc(OC)c1OC ZINC000003912606 181058142 /nfs/dbraw/zinc/05/81/42/181058142.db2.gz JFLURJRFBXULES-UHFFFAOYSA-N 0 0 321.293 1.736 50 5 DDBARN CO[C@@]1(C)C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000073267430 191297688 /nfs/dbraw/zinc/29/76/88/191297688.db2.gz HTZYREMUUNSCIO-FZMZJTMJSA-N 0 0 310.354 1.501 50 5 DDBARN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000004387301 181106143 /nfs/dbraw/zinc/10/61/43/181106143.db2.gz RNQWCRYRLQLXCZ-NXEZZACHSA-N 0 0 300.336 1.393 50 5 DDBARN Cn1cccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004564451 181125508 /nfs/dbraw/zinc/12/55/08/181125508.db2.gz KPQSZQDAJBMRKN-UHFFFAOYSA-N 0 0 303.274 1.729 50 5 DDBARN Cc1c(CN(C)c2ccc([N+](=O)[O-])c3nonc32)cnn1C ZINC000004652171 181132029 /nfs/dbraw/zinc/13/20/29/181132029.db2.gz FGYNIGLCNAAQPT-UHFFFAOYSA-N 0 0 302.294 1.809 50 5 DDBARN Cn1cc(N2CCC[C@H](Nc3ncccc3[N+](=O)[O-])C2)cn1 ZINC000078368132 191854047 /nfs/dbraw/zinc/85/40/47/191854047.db2.gz GCXAPXRFMZIDHM-NSHDSACASA-N 0 0 302.338 1.804 50 5 DDBARN Cc1cc(NCc2ccccn2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000005251735 181222325 /nfs/dbraw/zinc/22/23/25/181222325.db2.gz LTGZMEKWKYIRGU-UHFFFAOYSA-N 0 0 311.305 1.886 50 5 DDBARN C/C=C/C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C ZINC000005612751 181263485 /nfs/dbraw/zinc/26/34/85/181263485.db2.gz OUGFYYUXORERIX-SNAWJCMRSA-N 0 0 308.290 1.970 50 5 DDBARN N=c1c(C(N)=O)cc2c(nc3ccccn3c2=O)n1C1CCCC1 ZINC000100088562 283272962 /nfs/dbraw/zinc/27/29/62/283272962.db2.gz GNQCJXHRNQEEMM-UHFFFAOYSA-N 0 0 323.356 1.343 50 5 DDBARN C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000095942199 193452793 /nfs/dbraw/zinc/45/27/93/193452793.db2.gz SASGUGWJYKZRKB-PPRQPISWSA-N 0 0 317.342 1.965 50 5 DDBARN O=C(COC(=O)c1ccc(=O)[nH]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013778535 181895520 /nfs/dbraw/zinc/89/55/20/181895520.db2.gz SGPUTNQOGKBNMG-UHFFFAOYSA-N 0 0 317.257 1.079 50 5 DDBARN CN1CCN(C(=O)CSc2ccsc2[N+](=O)[O-])CC1 ZINC000020379537 182212923 /nfs/dbraw/zinc/21/29/23/182212923.db2.gz WHGSTPPNLRPGID-UHFFFAOYSA-N 0 0 301.393 1.522 50 5 DDBARN CCn1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000020602135 182237103 /nfs/dbraw/zinc/23/71/03/182237103.db2.gz LYVOPAUUYWQLQW-UHFFFAOYSA-N 0 0 324.362 1.632 50 5 DDBARN C[C@@H](OC(=O)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000024935811 182395323 /nfs/dbraw/zinc/39/53/23/182395323.db2.gz KLXYFKQMZBGUQE-SNVBAGLBSA-N 0 0 322.317 1.892 50 5 DDBARN CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000028036196 182506497 /nfs/dbraw/zinc/50/64/97/182506497.db2.gz ALOKWJQFUHLDEL-JTQLQIEISA-N 0 0 300.336 1.394 50 5 DDBARN O=C1N[C@]2(CCSC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000029737883 182575899 /nfs/dbraw/zinc/57/58/99/182575899.db2.gz GRQKUVDWWFVVBN-ZDUSSCGKSA-N 0 0 307.331 1.522 50 5 DDBARN O=[N+]([O-])c1ccc(NCCS(=O)(=O)c2ccccc2)nc1 ZINC000043272435 183349751 /nfs/dbraw/zinc/34/97/51/183349751.db2.gz FHVWNLVHPZIHDI-UHFFFAOYSA-N 0 0 307.331 1.876 50 5 DDBARN CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054253805 183931246 /nfs/dbraw/zinc/93/12/46/183931246.db2.gz KFGSRRBPJTWZRN-GFCCVEGCSA-N 0 0 307.306 1.171 50 5 DDBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CO)C1 ZINC000058356609 134795249 /nfs/dbraw/zinc/79/52/49/134795249.db2.gz YTOYEDMAQSVZIQ-LLVKDONJSA-N 0 0 308.334 1.980 50 5 DDBARN O=C(NN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000000361769 406642786 /nfs/dbraw/zinc/64/27/86/406642786.db2.gz IKXAEWJKYMDOGY-UHFFFAOYSA-N 0 0 311.253 1.536 50 5 DDBARN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000000374454 406643055 /nfs/dbraw/zinc/64/30/55/406643055.db2.gz PKZAGUYBZMMVSE-QMMMGPOBSA-N 0 0 318.289 1.548 50 5 DDBARN C[C@H]1CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000005219525 406732226 /nfs/dbraw/zinc/73/22/26/406732226.db2.gz ROFDMZPDAYZMNC-UWVGGRQHSA-N 0 0 322.369 1.181 50 5 DDBARN O=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1[N+](=O)[O-] ZINC000003320620 406715975 /nfs/dbraw/zinc/71/59/75/406715975.db2.gz QUPCIYVXVYXLBE-UHFFFAOYSA-N 0 0 311.253 1.731 50 5 DDBARN O=C(c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004045853 406719785 /nfs/dbraw/zinc/71/97/85/406719785.db2.gz NEJYMXIRIJWMMG-UHFFFAOYSA-N 0 0 312.329 1.952 50 5 DDBARN Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000009443217 406809520 /nfs/dbraw/zinc/80/95/20/406809520.db2.gz PCXSLLIVWMBDIL-UHFFFAOYSA-N 0 0 320.330 1.717 50 5 DDBARN CCOCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000010272138 406821462 /nfs/dbraw/zinc/82/14/62/406821462.db2.gz XMONMWPMJBFONR-UHFFFAOYSA-N 0 0 307.258 1.895 50 5 DDBARN CCCCN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000012916986 406855513 /nfs/dbraw/zinc/85/55/13/406855513.db2.gz IHDFVUYVNRZPLC-UHFFFAOYSA-N 0 0 321.333 1.579 50 5 DDBARN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000013302277 406861771 /nfs/dbraw/zinc/86/17/71/406861771.db2.gz VOVQZRKSCHGYNT-OCAPTIKFSA-N 0 0 324.293 1.335 50 5 DDBARN Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cccc(O)c1 ZINC000013562420 406863077 /nfs/dbraw/zinc/86/30/77/406863077.db2.gz LPYCFGPWDNUNJK-UHFFFAOYSA-N 0 0 321.249 1.352 50 5 DDBARN O=[N+]([O-])c1cn(Cc2nnnn2C2CC2)nc1-c1ccncc1 ZINC000072674666 406883998 /nfs/dbraw/zinc/88/39/98/406883998.db2.gz LLHMZDDBUWPQPO-UHFFFAOYSA-N 0 0 312.293 1.223 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1 ZINC000018179253 406885467 /nfs/dbraw/zinc/88/54/67/406885467.db2.gz LPYWTQNGNCHYHB-UHFFFAOYSA-N 0 0 312.329 1.952 50 5 DDBARN Cc1cc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000029728419 406927263 /nfs/dbraw/zinc/92/72/63/406927263.db2.gz XBVAPGZRQQHFCL-CQSZACIVSA-N 0 0 321.333 1.763 50 5 DDBARN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)C1CC1 ZINC000032923055 406956740 /nfs/dbraw/zinc/95/67/40/406956740.db2.gz WHPYHIPHHPRDBJ-UHFFFAOYSA-N 0 0 307.306 1.319 50 5 DDBARN CCNC(=O)CCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000044954082 407036078 /nfs/dbraw/zinc/03/60/78/407036078.db2.gz ZDNAATVTTWSLKL-UHFFFAOYSA-N 0 0 314.363 1.344 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccno2)CC1 ZINC000077359212 406986749 /nfs/dbraw/zinc/98/67/49/406986749.db2.gz DWVRELHZMADHQV-UHFFFAOYSA-N 0 0 316.317 1.541 50 5 DDBARN CC[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040497165 407003346 /nfs/dbraw/zinc/00/33/46/407003346.db2.gz KRNWDUUHCSULQU-GFCCVEGCSA-N 0 0 321.381 1.027 50 5 DDBARN Cc1cnc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000089702351 407144247 /nfs/dbraw/zinc/14/42/47/407144247.db2.gz ZLXRIPJQFJEQBK-UHFFFAOYSA-N 0 0 311.319 1.511 50 5 DDBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000066966715 407264504 /nfs/dbraw/zinc/26/45/04/407264504.db2.gz DYADDGNRIZUGMD-JTQLQIEISA-N 0 0 315.333 1.552 50 5 DDBARN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCCn1ccnc1 ZINC000097114287 407281445 /nfs/dbraw/zinc/28/14/45/407281445.db2.gz SSYREWBXXBEPQM-UHFFFAOYSA-N 0 0 315.289 1.698 50 5 DDBARN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccccn1 ZINC000097148473 407283213 /nfs/dbraw/zinc/28/32/13/407283213.db2.gz YEFRWJGTBICPJV-UHFFFAOYSA-N 0 0 310.107 1.962 50 5 DDBARN Cc1nc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000195531299 407465850 /nfs/dbraw/zinc/46/58/50/407465850.db2.gz JNCCIOXMOBAHLX-QMMMGPOBSA-N 0 0 305.294 1.847 50 5 DDBARN COc1cnc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000337759577 410987597 /nfs/dbraw/zinc/98/75/97/410987597.db2.gz JNNPBRJASBMSEM-UHFFFAOYSA-N 0 0 324.318 1.219 50 5 DDBARN COc1nc(C)cc(C)c1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000608975216 416653267 /nfs/dbraw/zinc/65/32/67/416653267.db2.gz XREIPMPCJKQAAL-UHFFFAOYSA-N 0 0 304.310 1.021 50 5 DDBARN CCN(Cc1nnnn1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000048041136 418463483 /nfs/dbraw/zinc/46/34/83/418463483.db2.gz XWTWIYCPGJHFCK-UHFFFAOYSA-N 0 0 302.338 1.938 50 5 DDBARN CCN1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CC1=O ZINC000069895386 276244286 /nfs/dbraw/zinc/24/42/86/276244286.db2.gz PVFKKKBBSVEPRV-CMPLNLGQSA-N 0 0 317.345 1.741 50 5 DDBARN CCN1C(=O)C(=C2NC(=S)NC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000015016547 276254596 /nfs/dbraw/zinc/25/45/96/276254596.db2.gz DZVPFHXSLYQIPJ-KTKRTIGZSA-N 0 0 318.314 1.088 50 5 DDBARN C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005638074 288262155 /nfs/dbraw/zinc/26/21/55/288262155.db2.gz VKZDKKDSFCEERV-NXEZZACHSA-N 0 0 314.363 1.612 50 5 DDBARN CON(C[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000888096921 709212141 /nfs/dbraw/zinc/21/21/41/709212141.db2.gz VWEPNOUKCGUOAD-JTQLQIEISA-N 0 0 316.335 1.183 50 5 DDBARN O=[N+]([O-])c1cccc([C@H](O)Cn2nnnc2-c2ccccn2)c1 ZINC000095432551 185363794 /nfs/dbraw/zinc/36/37/94/185363794.db2.gz NNVJKCLOKKRFGS-CYBMUJFWSA-N 0 0 312.289 1.377 50 5 DDBARN Cc1cc(C)n(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000170608276 197788544 /nfs/dbraw/zinc/78/85/44/197788544.db2.gz LBOKFRVKEUDZQJ-UHFFFAOYSA-N 0 0 309.347 1.882 50 5 DDBARN CC(C)(O)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071853916 191032790 /nfs/dbraw/zinc/03/27/90/191032790.db2.gz MVNXQINQKJVKGQ-UHFFFAOYSA-N 0 0 316.697 1.501 50 5 DDBARN Cn1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072288662 191107100 /nfs/dbraw/zinc/10/71/00/191107100.db2.gz YOJSKJWKOQHKPF-NSHDSACASA-N 0 0 316.321 1.050 50 5 DDBARN Cc1nn([C@H](C)C(=O)NCc2cnn(C)c2C)c(C)c1[N+](=O)[O-] ZINC000000484242 180805106 /nfs/dbraw/zinc/80/51/06/180805106.db2.gz HQJRUHBYFHRVHM-LLVKDONJSA-N 0 0 320.353 1.327 50 5 DDBARN O=[N+]([O-])c1c[nH]nc1-c1nnn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004171285 181081734 /nfs/dbraw/zinc/08/17/34/181081734.db2.gz HUISZFGFNZAXHC-UHFFFAOYSA-N 0 0 315.337 1.897 50 5 DDBARN NS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004158826 181079484 /nfs/dbraw/zinc/07/94/84/181079484.db2.gz XUBGTWFRKMILMC-UHFFFAOYSA-N 0 0 307.331 1.854 50 5 DDBARN Cc1ccc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000004158401 181079858 /nfs/dbraw/zinc/07/98/58/181079858.db2.gz RDKJZWQREGPLLH-AWEZNQCLSA-N 0 0 301.302 1.762 50 5 DDBARN Cc1ccnc(NC[C@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000585142411 354815474 /nfs/dbraw/zinc/81/54/74/354815474.db2.gz WQMLGDDGVJTJPO-GFCCVEGCSA-N 0 0 305.338 1.295 50 5 DDBARN COc1ccc([C@H]2SCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000005023956 181192468 /nfs/dbraw/zinc/19/24/68/181192468.db2.gz ZIIMBCURSPYCJO-LLVKDONJSA-N 0 0 318.376 1.610 50 5 DDBARN Nc1nc(NCCO)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000005068315 181200408 /nfs/dbraw/zinc/20/04/08/181200408.db2.gz URIJZJJYPYBFEI-UHFFFAOYSA-N 0 0 324.728 1.768 50 5 DDBARN CN(C)CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000005064331 181199558 /nfs/dbraw/zinc/19/95/58/181199558.db2.gz SIVTWTFVFVUXCW-UHFFFAOYSA-N 0 0 302.128 1.857 50 5 DDBARN O=C(Nc1ccc2c(c1)OCCO2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000005642456 181267434 /nfs/dbraw/zinc/26/74/34/181267434.db2.gz IBXRARAGKYXPPI-UHFFFAOYSA-N 0 0 324.680 1.995 50 5 DDBARN CNC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005659647 181268634 /nfs/dbraw/zinc/26/86/34/181268634.db2.gz UZAZTEYBLNREFH-UHFFFAOYSA-N 0 0 321.333 1.488 50 5 DDBARN O=C(OCCNc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])o1 ZINC000020413241 182214739 /nfs/dbraw/zinc/21/47/39/182214739.db2.gz NXCJXULEOBNDOE-UHFFFAOYSA-N 0 0 322.233 1.760 50 5 DDBARN CC[C@H]1CN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000029153419 182554117 /nfs/dbraw/zinc/55/41/17/182554117.db2.gz SXJRFVMPBZBNQD-LBPRGKRZSA-N 0 0 307.350 1.912 50 5 DDBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc[n+]([O-])cc1 ZINC000040465423 183071525 /nfs/dbraw/zinc/07/15/25/183071525.db2.gz GJBXBARZKWTHNY-UHFFFAOYSA-N 0 0 302.290 1.070 50 5 DDBARN Cn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1=O ZINC000058149917 184081293 /nfs/dbraw/zinc/08/12/93/184081293.db2.gz VGLVRUMBFDHAFH-UHFFFAOYSA-N 0 0 316.317 1.734 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CCCN1C(=O)c2ccccc2C1=O ZINC000064332183 184295059 /nfs/dbraw/zinc/29/50/59/184295059.db2.gz DBGYRVUTBCKQEO-UHFFFAOYSA-N 0 0 314.301 1.786 50 5 DDBARN O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000003111387 285138133 /nfs/dbraw/zinc/13/81/33/285138133.db2.gz KLCPBVUTEZBXQQ-UHFFFAOYSA-N 0 0 300.170 1.797 50 5 DDBARN CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C ZINC000037521172 134701913 /nfs/dbraw/zinc/70/19/13/134701913.db2.gz NOGUBBAJWBXDEO-NSHDSACASA-N 0 0 305.334 1.815 50 5 DDBARN O=C(Cn1nnc([N+](=O)[O-])n1)N(c1ccccc1)c1ccccc1 ZINC000000098277 406620603 /nfs/dbraw/zinc/62/06/03/406620603.db2.gz IALYVQRNJYLRHM-UHFFFAOYSA-N 0 0 324.300 1.946 50 5 DDBARN O=C(Cn1cnc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000109368 406621312 /nfs/dbraw/zinc/62/13/12/406621312.db2.gz UQFMSYDQKLRBHG-UHFFFAOYSA-N 0 0 324.296 1.943 50 5 DDBARN NS(=O)(=O)CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000069778043 406770551 /nfs/dbraw/zinc/77/05/51/406770551.db2.gz IBLWUYAFJKHIKN-UHFFFAOYSA-N 0 0 316.364 1.295 50 5 DDBARN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)NCc1ccco1 ZINC000003515208 406719526 /nfs/dbraw/zinc/71/95/26/406719526.db2.gz VBSZMZOGBAOFQY-UHFFFAOYSA-N 0 0 319.273 1.593 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ncccn2)CC1 ZINC000008429750 406788612 /nfs/dbraw/zinc/78/86/12/406788612.db2.gz XRVUTAHPVVBQGK-UHFFFAOYSA-N 0 0 319.346 1.409 50 5 DDBARN O=C(COc1cccnc1[N+](=O)[O-])NCCc1ccc(F)cc1 ZINC000012486519 406847073 /nfs/dbraw/zinc/84/70/73/406847073.db2.gz HPFXIGLBNOWIKH-UHFFFAOYSA-N 0 0 319.292 1.867 50 5 DDBARN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000012851530 406854549 /nfs/dbraw/zinc/85/45/49/406854549.db2.gz BFQRZWFJVVAZGP-UHFFFAOYSA-N 0 0 317.301 1.738 50 5 DDBARN COC(=O)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000029006920 406920589 /nfs/dbraw/zinc/92/05/89/406920589.db2.gz BMUMMBHKFLGASC-UHFFFAOYSA-N 0 0 309.322 1.466 50 5 DDBARN CCN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967548 406936261 /nfs/dbraw/zinc/93/62/61/406936261.db2.gz CPHAWGAQTJCYCL-HNNXBMFYSA-N 0 0 321.377 1.712 50 5 DDBARN C[C@@H]1CCc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048356096 407095746 /nfs/dbraw/zinc/09/57/46/407095746.db2.gz HNKHDWDSNKBWKM-SNVBAGLBSA-N 0 0 301.306 1.554 50 5 DDBARN O=C(C[C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000047090151 407070665 /nfs/dbraw/zinc/07/06/65/407070665.db2.gz NQEPJWOVCBLHHO-CYBMUJFWSA-N 0 0 320.349 1.208 50 5 DDBARN C[C@H](Cn1ccnc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000052749845 407156821 /nfs/dbraw/zinc/15/68/21/407156821.db2.gz UPDZRUUDVCMGQJ-GFCCVEGCSA-N 0 0 317.349 1.798 50 5 DDBARN O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000055452790 407203403 /nfs/dbraw/zinc/20/34/03/407203403.db2.gz CBCWMCXOKZMPJX-UONOGXRCSA-N 0 0 322.336 1.655 50 5 DDBARN Nc1nc(N2CCN(c3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC000056908490 407211817 /nfs/dbraw/zinc/21/18/17/407211817.db2.gz FOBKHESONXSQKY-UHFFFAOYSA-N 0 0 318.312 1.433 50 5 DDBARN Cc1ccc(NCCCNC(=O)c2csnn2)c([N+](=O)[O-])c1 ZINC000096417192 407262100 /nfs/dbraw/zinc/26/21/00/407262100.db2.gz DQMKSGCPRXAUIO-UHFFFAOYSA-N 0 0 321.362 1.987 50 5 DDBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000066966718 407264900 /nfs/dbraw/zinc/26/49/00/407264900.db2.gz DYADDGNRIZUGMD-SNVBAGLBSA-N 0 0 315.333 1.552 50 5 DDBARN CN1CC[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000097323791 407291254 /nfs/dbraw/zinc/29/12/54/407291254.db2.gz GBFWVGFXVZGKED-MZBZXASESA-N 0 0 307.281 1.094 50 5 DDBARN COC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000225724428 407600667 /nfs/dbraw/zinc/60/06/67/407600667.db2.gz UKYHMAPHLIBJFD-WCQYABFASA-N 0 0 324.333 1.284 50 5 DDBARN Cc1ccc(C(=O)OCCc2cnc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000240465834 407906476 /nfs/dbraw/zinc/90/64/76/407906476.db2.gz GAQLMUMRKPEECZ-UHFFFAOYSA-N 0 0 303.274 1.798 50 5 DDBARN O=C1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000241139472 407910319 /nfs/dbraw/zinc/91/03/19/407910319.db2.gz JREZNMJROZPCPR-UHFFFAOYSA-N 0 0 317.267 1.801 50 5 DDBARN CCOC(=O)C1C(c2cccc([N+](=O)[O-])c2)=NC(=S)N[C@H]1C ZINC000135783615 408053861 /nfs/dbraw/zinc/05/38/61/408053861.db2.gz RRKXFCWFAKEEMO-QMMMGPOBSA-N 0 0 321.358 1.735 50 5 DDBARN CCOC(=O)C1=C(c2ccccc2[N+](=O)[O-])NC(=S)N[C@@H]1C ZINC000136631189 408117428 /nfs/dbraw/zinc/11/74/28/408117428.db2.gz VZTRKTGDVRBURA-MRVPVSSYSA-N 0 0 321.358 1.735 50 5 DDBARN CC(=O)N1N=C2[C@H]([C@H]1c1cccc([N+](=O)[O-])c1)N1CCC2CC1 ZINC000019732242 278074790 /nfs/dbraw/zinc/07/47/90/278074790.db2.gz QMRWUEGSQCBNKA-HZPDHXFCSA-N 0 0 314.345 1.948 50 5 DDBARN C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1C ZINC000242288015 278369700 /nfs/dbraw/zinc/36/97/00/278369700.db2.gz YKKQNJRAOBRAMJ-VHSXEESVSA-N 0 0 313.379 1.725 50 5 DDBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](CO)[C@H](O)C1 ZINC000170091029 280357138 /nfs/dbraw/zinc/35/71/38/280357138.db2.gz MQIKRCTVGFTIAB-PRHODGIISA-N 0 0 320.267 1.793 50 5 DDBARN Cc1ccc(N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2=O)o1 ZINC000242273610 280876411 /nfs/dbraw/zinc/87/64/11/280876411.db2.gz YEKMZAMOWSSDFS-UHFFFAOYSA-N 0 0 319.321 1.391 50 5 DDBARN O=C(C1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000023640649 295449782 /nfs/dbraw/zinc/44/97/82/295449782.db2.gz UESYIVFERYOYAA-UHFFFAOYSA-N 0 0 320.349 1.065 50 5 DDBARN C[C@@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 ZINC000084715286 483999596 /nfs/dbraw/zinc/99/95/96/483999596.db2.gz FRGAUQGIEIHKEA-SNVBAGLBSA-N 0 0 307.379 1.603 50 5 DDBARN CC(=O)Nc1cc(N2CCC[C@H](CO)C2)c(F)cc1[N+](=O)[O-] ZINC000012539406 534698748 /nfs/dbraw/zinc/69/87/48/534698748.db2.gz FOAHJHXKGOPVBA-JTQLQIEISA-N 0 0 311.313 1.901 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCSC1 ZINC000952995716 721534922 /nfs/dbraw/zinc/53/49/22/721534922.db2.gz WIXAEDHBRAEFTC-UHFFFAOYSA-N 0 0 302.377 1.988 50 5 DDBARN C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000095397348 185353274 /nfs/dbraw/zinc/35/32/74/185353274.db2.gz OLNJNXYFYDEDBS-SWLSCSKDSA-N 0 0 321.377 1.710 50 5 DDBARN CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000072273600 191095213 /nfs/dbraw/zinc/09/52/13/191095213.db2.gz FRXVORQWJXECNT-SNVBAGLBSA-N 0 0 323.324 1.859 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000072296130 191112195 /nfs/dbraw/zinc/11/21/95/191112195.db2.gz FZRZAZPTOOXIHP-NSHDSACASA-N 0 0 315.333 1.825 50 5 DDBARN CC(=O)N1c2ccccc2N(C(C)=O)[C@H]2C=CC([N+](=O)[O-])=C[C@H]21 ZINC000075283026 353357344 /nfs/dbraw/zinc/35/73/44/353357344.db2.gz HOADNDIHMPLSBQ-JKSUJKDBSA-N 0 0 313.313 1.874 50 5 DDBARN Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1[N+](=O)[O-] ZINC000003880617 181051700 /nfs/dbraw/zinc/05/17/00/181051700.db2.gz HWPKIJDJKWDBAA-UHFFFAOYSA-N 0 0 307.331 1.777 50 5 DDBARN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N)C[C@@H](C)O1 ZINC000003878346 181051798 /nfs/dbraw/zinc/05/17/98/181051798.db2.gz VOVQZRKSCHGYNT-HTQZYQBOSA-N 0 0 324.293 1.335 50 5 DDBARN COC(=O)c1ccc(Cn2cc([N+](=O)[O-])c([N+](=O)[O-])n2)cc1 ZINC000004294271 181093806 /nfs/dbraw/zinc/09/38/06/181093806.db2.gz CXTVIHXKWSZXPT-UHFFFAOYSA-N 0 0 306.234 1.534 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000193874127 354292336 /nfs/dbraw/zinc/29/23/36/354292336.db2.gz AOTNOHSMWCQSFE-AAEUAGOBSA-N 0 0 324.381 1.811 50 5 DDBARN COC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000004694683 181137525 /nfs/dbraw/zinc/13/75/25/181137525.db2.gz NYFABOFOBOTJHB-UXBLZVDNSA-N 0 0 322.298 1.804 50 5 DDBARN COCC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004806369 181154056 /nfs/dbraw/zinc/15/40/56/181154056.db2.gz UXIDOUQQPUXGFZ-UHFFFAOYSA-N 0 0 302.670 1.376 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2ncnn21 ZINC000004815664 181156036 /nfs/dbraw/zinc/15/60/36/181156036.db2.gz ZDOJVFZLZMTPKU-SNVBAGLBSA-N 0 0 316.277 1.017 50 5 DDBARN O=C(NCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005090941 181202470 /nfs/dbraw/zinc/20/24/70/181202470.db2.gz IEXHSFGGVPWMPS-UHFFFAOYSA-N 0 0 313.313 1.892 50 5 DDBARN Cc1n[nH]c(C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000080777583 192189951 /nfs/dbraw/zinc/18/99/51/192189951.db2.gz BGFWETKMDUJCHK-QMMMGPOBSA-N 0 0 322.296 1.963 50 5 DDBARN COC(=O)c1cc(C(=O)Nc2nnc(C)s2)cc([N+](=O)[O-])c1 ZINC000005712772 181275434 /nfs/dbraw/zinc/27/54/34/181275434.db2.gz LWBOHFXDODKXIC-UHFFFAOYSA-N 0 0 322.302 1.794 50 5 DDBARN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1CO ZINC000081499804 192275343 /nfs/dbraw/zinc/27/53/43/192275343.db2.gz MGMAXMSYEINRDH-KBPBESRZSA-N 0 0 321.377 1.988 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCOCC2)c1 ZINC000020652840 182241821 /nfs/dbraw/zinc/24/18/21/182241821.db2.gz CTCBAMHUQNKODE-UHFFFAOYSA-N 0 0 310.350 1.631 50 5 DDBARN O=[N+]([O-])c1cnn(Cc2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000020606299 182237989 /nfs/dbraw/zinc/23/79/89/182237989.db2.gz FRVXHIPGSHQTRO-UHFFFAOYSA-N 0 0 319.228 1.358 50 5 DDBARN CN(C)C(=O)CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000040139302 183039348 /nfs/dbraw/zinc/03/93/48/183039348.db2.gz UIURKHSAFQLOOS-UHFFFAOYSA-N 0 0 306.322 1.004 50 5 DDBARN O=[N+]([O-])c1ccc(NC[C@H](O)COc2ccc(F)cc2)nc1 ZINC000057149195 184028421 /nfs/dbraw/zinc/02/84/21/184028421.db2.gz MDTWFYKXMWRTBM-LBPRGKRZSA-N 0 0 307.281 1.981 50 5 DDBARN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000058380509 184110484 /nfs/dbraw/zinc/11/04/84/184110484.db2.gz JKHHKJKHAHQLKC-XUJVJEKNSA-N 0 0 318.329 1.690 50 5 DDBARN COc1cc(NC(=O)[C@H]2CC2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000058424352 184116425 /nfs/dbraw/zinc/11/64/25/184116425.db2.gz LCWDAVJEVJXZMP-JQWIXIFHSA-N 0 0 319.317 1.426 50 5 DDBARN COc1cc(NC(=O)[C@H]2CC2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000058424358 184116567 /nfs/dbraw/zinc/11/65/67/184116567.db2.gz LCWDAVJEVJXZMP-CMPLNLGQSA-N 0 0 319.317 1.426 50 5 DDBARN O=C(c1ccccn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048306163 134752026 /nfs/dbraw/zinc/75/20/26/134752026.db2.gz VFKXEQSHAODAOI-UHFFFAOYSA-N 0 0 312.329 1.952 50 5 DDBARN COC(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000000029068 406614821 /nfs/dbraw/zinc/61/48/21/406614821.db2.gz XSQWJUBJSXANTN-UWVGGRQHSA-N 0 0 322.317 1.631 50 5 DDBARN O=C(NC(=S)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000000587245 406655260 /nfs/dbraw/zinc/65/52/60/406655260.db2.gz RZGKXZZYSXABRY-VIFPVBQESA-N 0 0 309.347 1.378 50 5 DDBARN COC(=O)c1ccn(COc2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000002733167 406696100 /nfs/dbraw/zinc/69/61/00/406696100.db2.gz DYMZELYODVLLDU-UHFFFAOYSA-N 0 0 307.262 1.623 50 5 DDBARN C[C@@H]1CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005219527 406733728 /nfs/dbraw/zinc/73/37/28/406733728.db2.gz ROFDMZPDAYZMNC-NXEZZACHSA-N 0 0 322.369 1.181 50 5 DDBARN O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NC[C@H]1CCCO1 ZINC000004140715 406724037 /nfs/dbraw/zinc/72/40/37/406724037.db2.gz NBQUAKXLTFLOAI-CYBMUJFWSA-N 0 0 306.366 1.595 50 5 DDBARN COc1cc(CN2CCCC[C@@H]2CO)c([N+](=O)[O-])cc1OC ZINC000004947551 406730152 /nfs/dbraw/zinc/73/01/52/406730152.db2.gz XNFLMYHFXMQTQQ-GFCCVEGCSA-N 0 0 310.350 1.959 50 5 DDBARN CCNC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000071892856 406862749 /nfs/dbraw/zinc/86/27/49/406862749.db2.gz SDFQZFPYVZBCOF-UHFFFAOYSA-N 0 0 306.366 1.750 50 5 DDBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(=O)N1 ZINC000072283689 406878796 /nfs/dbraw/zinc/87/87/96/406878796.db2.gz OZCLURFWYQNUFH-NXEZZACHSA-N 0 0 323.374 1.470 50 5 DDBARN CC(=O)N[C@H](C(=O)N(C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000024947475 406892823 /nfs/dbraw/zinc/89/28/23/406892823.db2.gz GNQXSADBHWOFLC-AWEZNQCLSA-N 0 0 307.350 1.714 50 5 DDBARN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000025412502 406898224 /nfs/dbraw/zinc/89/82/24/406898224.db2.gz GVWZNCWIMJCHSF-TXEJJXNPSA-N 0 0 319.361 1.593 50 5 DDBARN Nc1nc(N(CCO)CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000078428662 407027160 /nfs/dbraw/zinc/02/71/60/407027160.db2.gz NCPSOAALQLSLEG-UHFFFAOYSA-N 0 0 303.322 1.008 50 5 DDBARN Cc1nsc(N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000078557736 407034080 /nfs/dbraw/zinc/03/40/80/407034080.db2.gz QIFNIDHHLQDGFP-UHFFFAOYSA-N 0 0 320.378 1.866 50 5 DDBARN CN(C)c1cc(C(F)(F)F)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000079054694 407050349 /nfs/dbraw/zinc/05/03/49/407050349.db2.gz WWKWZCSCLOLNOA-UHFFFAOYSA-N 0 0 302.216 1.655 50 5 DDBARN CC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000048289418 407093987 /nfs/dbraw/zinc/09/39/87/407093987.db2.gz SPCUYSMEZWANFZ-UHFFFAOYSA-N 0 0 316.273 1.839 50 5 DDBARN Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000084101493 407083163 /nfs/dbraw/zinc/08/31/63/407083163.db2.gz IPTMGALVQAAQRV-LLVKDONJSA-N 0 0 305.290 1.180 50 5 DDBARN Cc1cc(C(=O)NCC(=O)N[C@@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000097083235 407278641 /nfs/dbraw/zinc/27/86/41/407278641.db2.gz QTATXLPLBGFOLT-CYBMUJFWSA-N 0 0 317.345 1.858 50 5 DDBARN CC[C@H](C)n1c(=N)c(C(N)=O)cc2c1nc1ccccn1c2=O ZINC000100088327 407307028 /nfs/dbraw/zinc/30/70/28/407307028.db2.gz JISDJLHYCYNWLK-VIFPVBQESA-N 0 0 311.345 1.199 50 5 DDBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)Nn1cnnc1 ZINC000253425904 407444764 /nfs/dbraw/zinc/44/47/64/407444764.db2.gz WLDQXFPVGLFXGH-UHFFFAOYSA-N 0 0 314.208 1.563 50 5 DDBARN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000229836607 407671671 /nfs/dbraw/zinc/67/16/71/407671671.db2.gz ZLLCHMBWSIMHGJ-WCQYABFASA-N 0 0 318.333 1.440 50 5 DDBARN Cc1cc(C(=O)NCC2(C)OCCCO2)c(N)c([N+](=O)[O-])c1 ZINC000191136720 408375849 /nfs/dbraw/zinc/37/58/49/408375849.db2.gz FPXYDKFRHFKFMI-UHFFFAOYSA-N 0 0 309.322 1.368 50 5 DDBARN CC(C)(C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000065590937 277173463 /nfs/dbraw/zinc/17/34/63/277173463.db2.gz FCHRHWMRJIQQEF-UHFFFAOYSA-N 0 0 316.335 1.443 50 5 DDBARN C[C@H]1C[C@H](C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000004300115 278490104 /nfs/dbraw/zinc/49/01/04/278490104.db2.gz NEOCWNGVSWVRCB-UWVGGRQHSA-N 0 0 313.379 1.725 50 5 DDBARN [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N1 ZINC000018053636 303360586 /nfs/dbraw/zinc/36/05/86/303360586.db2.gz GIANUNRALKBLRR-ZDUSSCGKSA-N 0 0 324.300 1.746 50 5 DDBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000110155494 696639951 /nfs/dbraw/zinc/63/99/51/696639951.db2.gz SBIIVTDLHCIRQB-QMMMGPOBSA-N 0 0 312.238 1.372 50 5 DDBARN Cc1nnc(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)s1 ZINC000952992517 721533806 /nfs/dbraw/zinc/53/38/06/721533806.db2.gz HEFDDJXSPGYAJZ-UHFFFAOYSA-N 0 0 320.378 1.785 50 5 DDBARN C[S@@](=O)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000095416536 185359185 /nfs/dbraw/zinc/35/91/85/185359185.db2.gz DHHGXFWMEPMMQN-INIZCTEOSA-N 0 0 308.157 1.543 50 5 DDBARN Cn1cnc([N+](=O)[O-])c1N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000072296131 191111562 /nfs/dbraw/zinc/11/15/62/191111562.db2.gz FZRZAZPTOOXIHP-LLVKDONJSA-N 0 0 315.333 1.825 50 5 DDBARN O=[N+]([O-])c1ncn(CCc2nc3c4ccccc4ncn3n2)n1 ZINC000002806243 180960080 /nfs/dbraw/zinc/96/00/80/180960080.db2.gz VKBCXBKITRCZMG-UHFFFAOYSA-N 0 0 310.277 1.020 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C(F)(F)F)CC2)nc1 ZINC000097378003 353919696 /nfs/dbraw/zinc/91/96/96/353919696.db2.gz NTQCANGYZPLSTI-JTQLQIEISA-N 0 0 320.271 1.035 50 5 DDBARN CNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000004833686 181159422 /nfs/dbraw/zinc/15/94/22/181159422.db2.gz DYZLTCFNAHWUMS-FMIVXFBMSA-N 0 0 315.285 1.705 50 5 DDBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)OCO2 ZINC000006120129 181314182 /nfs/dbraw/zinc/31/41/82/181314182.db2.gz OPZZGWOOEYHQTJ-UHFFFAOYSA-N 0 0 317.257 1.124 50 5 DDBARN CSc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000006628340 181363317 /nfs/dbraw/zinc/36/33/17/181363317.db2.gz KHOLPCLLIBLAII-UHFFFAOYSA-N 0 0 323.374 1.621 50 5 DDBARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CS2 ZINC000023243622 182353824 /nfs/dbraw/zinc/35/38/24/182353824.db2.gz USJKCWFATYEHOX-BXUZGUMPSA-N 0 0 321.358 1.987 50 5 DDBARN CN(Cc1cnn(C)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000025045616 182399833 /nfs/dbraw/zinc/39/98/33/182399833.db2.gz DPWNHJQUYPJBKN-UHFFFAOYSA-N 0 0 304.306 1.366 50 5 DDBARN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CCO)CC1 ZINC000065605955 184371632 /nfs/dbraw/zinc/37/16/32/184371632.db2.gz IAKRKOIQYBZMKT-UHFFFAOYSA-N 0 0 323.393 1.492 50 5 DDBARN O=C(C[C@@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000047090149 134747506 /nfs/dbraw/zinc/74/75/06/134747506.db2.gz NQEPJWOVCBLHHO-ZDUSSCGKSA-N 0 0 320.349 1.208 50 5 DDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CO ZINC000035207277 292294088 /nfs/dbraw/zinc/29/40/88/292294088.db2.gz FCAZCCCJIFRDTK-GFCCVEGCSA-N 0 0 314.363 1.439 50 5 DDBARN CN(/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000000297702 406638787 /nfs/dbraw/zinc/63/87/87/406638787.db2.gz KNVQNQAFOUPPOF-MDZDMXLPSA-N 0 0 316.317 1.099 50 5 DDBARN CCOCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004757571 406730256 /nfs/dbraw/zinc/73/02/56/406730256.db2.gz QCZCONSCUMZMIS-UHFFFAOYSA-N 0 0 307.350 1.670 50 5 DDBARN CCOC(=O)c1cc(C(=O)N2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000008851937 406797981 /nfs/dbraw/zinc/79/79/81/406797981.db2.gz MCJZLDHBXHHZPT-JTQLQIEISA-N 0 0 322.317 1.632 50 5 DDBARN O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000012980647 406857027 /nfs/dbraw/zinc/85/70/27/406857027.db2.gz XWLUCHNARKJXCN-UHFFFAOYSA-N 0 0 321.720 1.909 50 5 DDBARN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000071904628 406864911 /nfs/dbraw/zinc/86/49/11/406864911.db2.gz PTIQEWRVLCBOEO-QWRGUYRKSA-N 0 0 300.380 1.848 50 5 DDBARN O=[N+]([O-])c1cnc(NCCNc2ccccn2)nc1NC1CC1 ZINC000026695648 406906147 /nfs/dbraw/zinc/90/61/47/406906147.db2.gz RQKOSKUYCOKYHI-UHFFFAOYSA-N 0 0 315.337 1.878 50 5 DDBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000027932530 406914477 /nfs/dbraw/zinc/91/44/77/406914477.db2.gz JOEVWMPTKXODPO-JTQLQIEISA-N 0 0 300.336 1.361 50 5 DDBARN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CC1 ZINC000032724207 406951008 /nfs/dbraw/zinc/95/10/08/406951008.db2.gz BZASCVIFQVTWRO-SSDOTTSWSA-N 0 0 322.273 1.147 50 5 DDBARN C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000033081289 406958763 /nfs/dbraw/zinc/95/87/63/406958763.db2.gz CBWGLRNXYAGECH-URWSZGRFSA-N 0 0 319.361 1.445 50 5 DDBARN COCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000048287858 407093970 /nfs/dbraw/zinc/09/39/70/407093970.db2.gz XUJDKJPDQNKFRS-UHFFFAOYSA-N 0 0 307.350 1.635 50 5 DDBARN O=C(NC1CC1)[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000054988830 407192668 /nfs/dbraw/zinc/19/26/68/407192668.db2.gz YQJVRMJXSFFMPO-AWEZNQCLSA-N 0 0 319.361 1.717 50 5 DDBARN Nc1nc(N2CC[C@@H](OCc3ccccn3)C2)ncc1[N+](=O)[O-] ZINC000089883767 407154979 /nfs/dbraw/zinc/15/49/79/407154979.db2.gz SPJWOLOAKLRYBV-LLVKDONJSA-N 0 0 316.321 1.158 50 5 DDBARN Cc1cc(N2CCNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058314072 407220565 /nfs/dbraw/zinc/22/05/65/407220565.db2.gz IAUKDYWOMOGDHB-UHFFFAOYSA-N 0 0 313.317 1.296 50 5 DDBARN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1nnc(C2CC2)[nH]1 ZINC000096008311 407223531 /nfs/dbraw/zinc/22/35/31/407223531.db2.gz OXVHPGDEJHZDAG-UHFFFAOYSA-N 0 0 301.262 1.547 50 5 DDBARN NC(=O)C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCOCC1 ZINC000096494556 407272569 /nfs/dbraw/zinc/27/25/69/407272569.db2.gz NDCRDXDASMKUOE-GFCCVEGCSA-N 0 0 311.313 1.816 50 5 DDBARN CN(C)c1ccc(COC(=O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000097086506 407279891 /nfs/dbraw/zinc/27/98/91/407279891.db2.gz QOXJZKNMEQNJDX-UHFFFAOYSA-N 0 0 304.306 1.751 50 5 DDBARN COC[C@@H]1CN(c2cc([N+](=O)[O-])ccc2C(=O)OC)CCO1 ZINC000408523686 418808657 /nfs/dbraw/zinc/80/86/57/418808657.db2.gz MIPMOGCHZKCWRR-NSHDSACASA-N 0 0 310.306 1.233 50 5 DDBARN O=[N+]([O-])c1cnc(N2CCOC[C@H]2Cc2ccccc2)nc1 ZINC000354593951 306780061 /nfs/dbraw/zinc/78/00/61/306780061.db2.gz KWGXUTIPIDCMHY-CYBMUJFWSA-N 0 0 300.318 1.833 50 5 DDBARN CCN1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CC1=O ZINC000069895388 276406314 /nfs/dbraw/zinc/40/63/14/276406314.db2.gz PVFKKKBBSVEPRV-JQWIXIFHSA-N 0 0 317.345 1.741 50 5 DDBARN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000390835488 490779651 /nfs/dbraw/zinc/77/96/51/490779651.db2.gz OPLPRCLMTCXFHN-UHFFFAOYSA-N 0 0 309.303 1.805 50 5 DDBARN CN(Cc1ncccn1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000871596563 707133313 /nfs/dbraw/zinc/13/33/13/707133313.db2.gz QJXJOJOJQORYAX-UHFFFAOYSA-N 0 0 313.317 1.906 50 5 DDBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccn1 ZINC000095481776 185373846 /nfs/dbraw/zinc/37/38/46/185373846.db2.gz WXWYQSTYBADYKQ-UHFFFAOYSA-N 0 0 304.287 1.551 50 5 DDBARN O=[N+]([O-])c1ccc(NC[C@@H](O)COCc2ccccc2)cn1 ZINC000095398333 185353600 /nfs/dbraw/zinc/35/36/00/185353600.db2.gz PVXAJARWGAREQU-CQSZACIVSA-N 0 0 303.318 1.979 50 5 DDBARN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH]c(=O)n1 ZINC000170593883 197782599 /nfs/dbraw/zinc/78/25/99/197782599.db2.gz LZUPJUSCPMZEHT-UHFFFAOYSA-N 0 0 302.290 1.476 50 5 DDBARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065475 290924324 /nfs/dbraw/zinc/92/43/24/290924324.db2.gz CIBVLNVBSOKSSA-LBPRGKRZSA-N 0 0 315.289 1.648 50 5 DDBARN O=C(c1cccc([N+](=O)[O-])c1)n1c(=O)oc2ccccc2c1=O ZINC000075278783 353357328 /nfs/dbraw/zinc/35/73/28/353357328.db2.gz DSCQENVRAJBDCH-UHFFFAOYSA-N 0 0 312.237 1.551 50 5 DDBARN CCn1ccc([C@@H](C)NC(=O)CCn2ncc([N+](=O)[O-])c2C)n1 ZINC000002802776 180959462 /nfs/dbraw/zinc/95/94/62/180959462.db2.gz LKPMADHRULNWQE-SNVBAGLBSA-N 0 0 320.353 1.584 50 5 DDBARN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000004504691 181116934 /nfs/dbraw/zinc/11/69/34/181116934.db2.gz YZYLFVFEESSFQS-LBPRGKRZSA-N 0 0 312.347 1.244 50 5 DDBARN O=C(O[C@H]1CCOC1=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004840430 181160628 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CC(C)(C(=O)NC[C@](C)(O)c1ccco1)n1cc([N+](=O)[O-])cn1 ZINC000096459322 193656295 /nfs/dbraw/zinc/65/62/95/193656295.db2.gz BOVVTIPYZXJIRW-AWEZNQCLSA-N 0 0 322.321 1.143 50 5 DDBARN O=C(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000100287133 296163908 /nfs/dbraw/zinc/16/39/08/296163908.db2.gz QHALMFNTHCKQBH-UHFFFAOYSA-N 0 0 310.222 1.647 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1C(=O)CCCn1cc([N+](=O)[O-])cn1 ZINC000012446590 181764830 /nfs/dbraw/zinc/76/48/30/181764830.db2.gz GIHFKZZPOOBBNV-UHFFFAOYSA-N 0 0 308.254 1.325 50 5 DDBARN C[C@@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012645375 181784960 /nfs/dbraw/zinc/78/49/60/181784960.db2.gz NNYJMOVHYXIDMI-AOOOYVTPSA-N 0 0 312.297 1.749 50 5 DDBARN CCCNC(=O)[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000040526356 183092762 /nfs/dbraw/zinc/09/27/62/183092762.db2.gz LMJNFAVKUUSJBM-JTQLQIEISA-N 0 0 308.338 1.939 50 5 DDBARN C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000047002500 183577631 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407262500 /nfs/dbraw/zinc/26/25/00/407262500.db2.gz BXRCHIZRMMYXBL-CYBMUJFWSA-N 0 0 319.361 1.512 50 5 DDBARN CC(C)Cn1ncnc1Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000097047705 407276630 /nfs/dbraw/zinc/27/66/30/407276630.db2.gz PNNQPQHUPMSMGP-UHFFFAOYSA-N 0 0 317.305 1.799 50 5 DDBARN CCN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000097679535 407301247 /nfs/dbraw/zinc/30/12/47/407301247.db2.gz MGMBLEVPRQHANI-CQSZACIVSA-N 0 0 321.377 1.712 50 5 DDBARN Cc1cc(=O)[nH]c([C@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000225726606 407602953 /nfs/dbraw/zinc/60/29/53/407602953.db2.gz KPGPOSKJSGPMAK-JTQLQIEISA-N 0 0 315.333 1.913 50 5 DDBARN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000241588356 407913467 /nfs/dbraw/zinc/91/34/67/407913467.db2.gz PCISXWMUOYSULY-MRVPVSSYSA-N 0 0 304.310 1.120 50 5 DDBARN COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(N)=O ZINC000000093131 277360884 /nfs/dbraw/zinc/36/08/84/277360884.db2.gz AUMLDFRQRIEROX-UHFFFAOYSA-N 0 0 305.084 1.473 50 5 DDBARN 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NRFCGQVJZCSKJZ-UHFFFAOYSA-N 0 0 310.273 1.823 50 5 DDBARN Cc1nn(C)c(N[C@H]2CN(c3ccc(F)cc3)C2=O)c1[N+](=O)[O-] ZINC000253426542 202883283 /nfs/dbraw/zinc/88/32/83/202883283.db2.gz RUQTXYNGBGMAAH-NSHDSACASA-N 0 0 319.296 1.603 50 5 DDBARN COC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016205969 182036707 /nfs/dbraw/zinc/03/67/07/182036707.db2.gz DJICVMUGAAXHDZ-UHFFFAOYSA-N 0 0 308.290 1.525 50 5 DDBARN CCn1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000020602026 182236257 /nfs/dbraw/zinc/23/62/57/182236257.db2.gz IYYCZNRBTSRLSA-UHFFFAOYSA-N 0 0 324.362 1.632 50 5 DDBARN NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000022798006 182335170 /nfs/dbraw/zinc/33/51/70/182335170.db2.gz NCUVJQPOHXHPKO-UHFFFAOYSA-N 0 0 322.346 1.292 50 5 DDBARN COC(=O)c1ccccc1N(C)C(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000024928168 182395098 /nfs/dbraw/zinc/39/50/98/182395098.db2.gz OJRRSRCKKAKHHN-UHFFFAOYSA-N 0 0 318.289 1.241 50 5 DDBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)OC[C@H]1C ZINC000106146993 194187748 /nfs/dbraw/zinc/18/77/48/194187748.db2.gz DHGZIGKHENUBBA-VXGBXAGGSA-N 0 0 307.350 1.951 50 5 DDBARN Cc1cnn(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000048254094 183632991 /nfs/dbraw/zinc/63/29/91/183632991.db2.gz JFLPOGPRTBTABY-UHFFFAOYSA-N 0 0 303.322 1.328 50 5 DDBARN CN(CC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159416934 197352367 /nfs/dbraw/zinc/35/23/67/197352367.db2.gz LPBPDTMYKXSULR-UHFFFAOYSA-N 0 0 302.128 1.274 50 5 DDBARN Cn1nc2c(c1NC(=O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000065542351 184363665 /nfs/dbraw/zinc/36/36/65/184363665.db2.gz VLIHHHOLNPCQCV-UHFFFAOYSA-N 0 0 316.317 1.835 50 5 DDBARN CCn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]c1=S ZINC000065565011 184366409 /nfs/dbraw/zinc/36/64/09/184366409.db2.gz YXUYMHRQMNBZDE-UHFFFAOYSA-N 0 0 321.362 1.841 50 5 DDBARN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000073921697 184942976 /nfs/dbraw/zinc/94/29/76/184942976.db2.gz OKFOUKCEQQDHON-NSHDSACASA-N 0 0 322.214 1.873 50 5 DDBARN CCOC(=O)[C@H](NC(=O)CC)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000002907548 406704308 /nfs/dbraw/zinc/70/43/08/406704308.db2.gz NOSQYOWEBITMLS-CHWSQXEVSA-N 0 0 310.306 1.086 50 5 DDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC(=O)C1CCCCC1 ZINC000002726390 406696458 /nfs/dbraw/zinc/69/64/58/406696458.db2.gz OFKHYGNYGLRDAV-UHFFFAOYSA-N 0 0 324.289 1.568 50 5 DDBARN CC(=O)N1C(=O)NC(C)=C([N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005296205 406733576 /nfs/dbraw/zinc/73/35/76/406733576.db2.gz OHWCHLOJRAAHTI-LBPRGKRZSA-N 0 0 320.261 1.716 50 5 DDBARN Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)n1CC(N)=O ZINC000069617456 406743296 /nfs/dbraw/zinc/74/32/96/406743296.db2.gz HRKWKGJKTZIXBU-UHFFFAOYSA-N 0 0 321.362 1.581 50 5 DDBARN CN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000007981936 406772337 /nfs/dbraw/zinc/77/23/37/406772337.db2.gz AGHXAMONJNDKIP-UHFFFAOYSA-N 0 0 307.331 1.477 50 5 DDBARN C[C@@H]1CC(=O)NN=C1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004178768 406724556 /nfs/dbraw/zinc/72/45/56/406724556.db2.gz HLIFKBPTGXCRCN-SNVBAGLBSA-N 0 0 318.333 1.292 50 5 DDBARN COCCN(CC(=O)OC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000070003704 406801889 /nfs/dbraw/zinc/80/18/89/406801889.db2.gz ZNCCVQYZWGZOOE-VOTSOKGWSA-N 0 0 322.317 1.256 50 5 DDBARN O=C(NCCc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000012921704 406854811 /nfs/dbraw/zinc/85/48/11/406854811.db2.gz JCBFAPMSTZXQTF-UHFFFAOYSA-N 0 0 311.301 1.610 50 5 DDBARN CN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000028812999 406919650 /nfs/dbraw/zinc/91/96/50/406919650.db2.gz FBAORICMANRCHH-UHFFFAOYSA-N 0 0 317.301 1.434 50 5 DDBARN COC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000030494111 406932445 /nfs/dbraw/zinc/93/24/45/406932445.db2.gz JXGNMBJRCKJOJR-SECBINFHSA-N 0 0 302.352 1.525 50 5 DDBARN CCc1ncncc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000044354383 407022612 /nfs/dbraw/zinc/02/26/12/407022612.db2.gz GNHSFHHOULJXGU-UHFFFAOYSA-N 0 0 315.333 1.789 50 5 DDBARN O=C1NC(=O)/C(=C/NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000055007806 407192681 /nfs/dbraw/zinc/19/26/81/407192681.db2.gz GBWSBRMYVQEVIW-GXDHUFHOSA-N 0 0 323.308 1.996 50 5 DDBARN CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nccn2ccnc12 ZINC000096436252 407265968 /nfs/dbraw/zinc/26/59/68/407265968.db2.gz IBIGGRZUABRXAO-UHFFFAOYSA-N 0 0 311.301 1.910 50 5 DDBARN Cn1cncc1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000195576823 407467178 /nfs/dbraw/zinc/46/71/78/407467178.db2.gz YYBSRHQELYDMCV-UHFFFAOYSA-N 0 0 324.362 1.386 50 5 DDBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000046169967 418447262 /nfs/dbraw/zinc/44/72/62/418447262.db2.gz QGHBHBJAMXSCLK-ZYHUDNBSSA-N 0 0 305.334 1.593 50 5 DDBARN Cc1nnc(N)n1C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000585141628 422311619 /nfs/dbraw/zinc/31/16/19/422311619.db2.gz DPFVJHLRNPMGJZ-UHFFFAOYSA-N 0 0 317.353 1.622 50 5 DDBARN CN(N)c1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000043179113 277001316 /nfs/dbraw/zinc/00/13/16/277001316.db2.gz JANPVGVWWNAURJ-UHFFFAOYSA-N 0 0 321.259 1.155 50 5 DDBARN CS(=O)(=O)c1ccc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000015209946 277502866 /nfs/dbraw/zinc/50/28/66/277502866.db2.gz XZZVJZIENIKFDN-SNVBAGLBSA-N 0 0 314.363 1.207 50 5 DDBARN O=C(c1ccoc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026715487 280222557 /nfs/dbraw/zinc/22/25/57/280222557.db2.gz LCDZAPGOQXIEDL-UHFFFAOYSA-N 0 0 302.290 1.545 50 5 DDBARN O=[N+]([O-])c1cccc(C2=CSC3=NS(=O)(=O)CCN23)c1 ZINC000103281328 304804958 /nfs/dbraw/zinc/80/49/58/304804958.db2.gz YDUBBYGVFJLTEK-UHFFFAOYSA-N 0 0 311.344 1.641 50 5 DDBARN O=[N+]([O-])c1ccc(OC[C@@H](O)CNc2ncccc2F)cc1 ZINC000084484904 483994755 /nfs/dbraw/zinc/99/47/55/483994755.db2.gz VVVVYOUFEVJYBE-NSHDSACASA-N 0 0 307.281 1.981 50 5 DDBARN COC(=O)c1ncn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)n1 ZINC000078995366 185142989 /nfs/dbraw/zinc/14/29/89/185142989.db2.gz FPVABMRGIPGWLV-UHFFFAOYSA-N 0 0 320.305 1.808 50 5 DDBARN CN(C)C(=O)NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000095458500 185370525 /nfs/dbraw/zinc/37/05/25/185370525.db2.gz WLPYXGWMNGUXBO-UHFFFAOYSA-N 0 0 314.729 1.249 50 5 DDBARN CN(Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000002995399 282593575 /nfs/dbraw/zinc/59/35/75/282593575.db2.gz SJZPHOGNFANLPP-JTQLQIEISA-N 0 0 302.377 1.721 50 5 DDBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cc[nH]n2)c1C ZINC000040436420 352301056 /nfs/dbraw/zinc/30/10/56/352301056.db2.gz FSHWFTCKQCYALY-UHFFFAOYSA-N 0 0 310.335 1.413 50 5 DDBARN COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc([N+](=O)[O-])c1[O-] ZINC000043164445 352363107 /nfs/dbraw/zinc/36/31/07/352363107.db2.gz FKQRJXJILFLYQQ-YPMHNXCESA-N 0 0 321.377 1.978 50 5 DDBARN CCOC(=O)[C@@H](NC(C)=O)[C@H](C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000075251521 353355940 /nfs/dbraw/zinc/35/59/40/353355940.db2.gz NFGGRHIHAOSPFL-KGLIPLIRSA-N 0 0 322.317 1.335 50 5 DDBARN CCc1c(C(=O)Cn2ncc([N+](=O)[O-])c2N)[nH]c(C)c1C(C)=O ZINC000075110115 353347661 /nfs/dbraw/zinc/34/76/61/353347661.db2.gz YEUXOUURMMCFEM-UHFFFAOYSA-N 0 0 319.321 1.658 50 5 DDBARN Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248374 181087764 /nfs/dbraw/zinc/08/77/64/181087764.db2.gz GIQBUSLUJFTWJX-UHFFFAOYSA-N 0 0 319.229 1.719 50 5 DDBARN C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N1CCCCC1=O ZINC000194257270 354293225 /nfs/dbraw/zinc/29/32/25/354293225.db2.gz OTVAREFTGGDRST-JTQLQIEISA-N 0 0 323.324 1.865 50 5 DDBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004950959 181178416 /nfs/dbraw/zinc/17/84/16/181178416.db2.gz PPBNQKLDXXHPMH-LBPRGKRZSA-N 0 0 305.290 1.786 50 5 DDBARN O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000004985985 181185014 /nfs/dbraw/zinc/18/50/14/181185014.db2.gz PWMPEBRAIMKUTD-HNNXBMFYSA-N 0 0 313.269 1.403 50 5 DDBARN CN(C[C@H]1CN(C)CCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040421 357800085 /nfs/dbraw/zinc/80/00/85/357800085.db2.gz OVJCRINPJZCBGJ-CYBMUJFWSA-N 0 0 316.361 1.910 50 5 DDBARN Cc1ccc(S(=O)(=O)CCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000091582667 193075290 /nfs/dbraw/zinc/07/52/90/193075290.db2.gz WBWNSMSFXKDCJD-UHFFFAOYSA-N 0 0 310.335 1.359 50 5 DDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc(C)c([N+](=O)[O-])c1C ZINC000012446617 181764871 /nfs/dbraw/zinc/76/48/71/181764871.db2.gz PLVCUYDFAFLYPJ-UHFFFAOYSA-N 0 0 308.254 1.162 50 5 DDBARN O=C1CCCN1CCCNC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000017056051 182073325 /nfs/dbraw/zinc/07/33/25/182073325.db2.gz SAGQNTYJNFNHGL-UHFFFAOYSA-N 0 0 322.390 1.894 50 5 DDBARN O=C(CCn1cnc([N+](=O)[O-])c1)Oc1ccc2c(c1)OCO2 ZINC000024264888 182378059 /nfs/dbraw/zinc/37/80/59/182378059.db2.gz LSKDCSGYJFOUIG-UHFFFAOYSA-N 0 0 305.246 1.516 50 5 DDBARN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000040489181 183078870 /nfs/dbraw/zinc/07/88/70/183078870.db2.gz HKPKWBBNYQKTDY-MRVPVSSYSA-N 0 0 318.376 1.306 50 5 DDBARN CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000058163320 184083050 /nfs/dbraw/zinc/08/30/50/184083050.db2.gz ZMHDMSJBTKYAOA-QPUJVOFHSA-N 0 0 308.338 1.925 50 5 DDBARN O=[N+]([O-])c1ccc(S[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000003156161 285138673 /nfs/dbraw/zinc/13/86/73/285138673.db2.gz MKVSQVODZNLFHI-MRVPVSSYSA-N 0 0 318.332 1.782 50 5 DDBARN CN(C)S(=O)(=O)c1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000348118333 257236433 /nfs/dbraw/zinc/23/64/33/257236433.db2.gz PBWXKZBJUOXAFL-UHFFFAOYSA-N 0 0 310.335 1.090 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OC)CC1 ZINC000012607604 134508696 /nfs/dbraw/zinc/50/86/96/134508696.db2.gz LKSHXRGKQRTNAN-UHFFFAOYSA-N 0 0 322.317 1.771 50 5 DDBARN Cc1ccc(O)c(NC(=O)CCCn2cnc([N+](=O)[O-])n2)c1 ZINC000000215133 406632011 /nfs/dbraw/zinc/63/20/11/406632011.db2.gz YMWSXFWBHOQTEU-UHFFFAOYSA-N 0 0 305.294 1.619 50 5 DDBARN COC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002859845 406704168 /nfs/dbraw/zinc/70/41/68/406704168.db2.gz ZLFYSBJOSYWXDW-NSHDSACASA-N 0 0 312.347 1.619 50 5 DDBARN O=C1CNC(=S)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002357534 406687738 /nfs/dbraw/zinc/68/77/38/406687738.db2.gz KVKBKRYSCAQQKS-UHFFFAOYSA-N 0 0 320.355 1.939 50 5 DDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C2OCCO2)CC1 ZINC000069292814 406695567 /nfs/dbraw/zinc/69/55/67/406695567.db2.gz QUXYOPYDIYMDSO-UHFFFAOYSA-N 0 0 306.318 1.820 50 5 DDBARN O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000335947 406640322 /nfs/dbraw/zinc/64/03/22/406640322.db2.gz MQIPTPLXIDLWNN-UHFFFAOYSA-N 0 0 320.326 1.756 50 5 DDBARN CC(=O)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000440358 406647569 /nfs/dbraw/zinc/64/75/69/406647569.db2.gz PCHAIJWXQSOEDZ-NSHDSACASA-N 0 0 317.223 1.910 50 5 DDBARN Cn1nc([N+](=O)[O-])nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000005516085 406733466 /nfs/dbraw/zinc/73/34/66/406733466.db2.gz CBEIWCMKEULQDG-UHFFFAOYSA-N 0 0 306.301 1.189 50 5 DDBARN COCCN(Cc1ccccn1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000069845179 406781361 /nfs/dbraw/zinc/78/13/61/406781361.db2.gz QAZNPZDNSHSJHS-UHFFFAOYSA-N 0 0 319.321 1.310 50 5 DDBARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1[N+](=O)[O-] ZINC000013687043 406866263 /nfs/dbraw/zinc/86/62/63/406866263.db2.gz BEMKZCMIPFTOCK-SNVBAGLBSA-N 0 0 316.277 1.017 50 5 DDBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000027895782 406913298 /nfs/dbraw/zinc/91/32/98/406913298.db2.gz VHLZRLCLRLKOJO-PRHODGIISA-N 0 0 309.278 1.800 50 5 DDBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CC(=O)Nc2cnccc21 ZINC000075148543 406924932 /nfs/dbraw/zinc/92/49/32/406924932.db2.gz ADGDJQQLYKAZSR-UHFFFAOYSA-N 0 0 312.285 1.518 50 5 DDBARN COC(=O)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032442930 406948246 /nfs/dbraw/zinc/94/82/46/406948246.db2.gz HQQVZEXFKYJVGK-UHFFFAOYSA-N 0 0 316.335 1.169 50 5 DDBARN Cn1c(=O)[nH]nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000032672290 406951599 /nfs/dbraw/zinc/95/15/99/406951599.db2.gz XJSHWQRGOIQHIE-UHFFFAOYSA-N 0 0 324.318 1.175 50 5 DDBARN Cn1ccnc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000076091372 406954862 /nfs/dbraw/zinc/95/48/62/406954862.db2.gz ANHLRJWGPNEDLE-LLVKDONJSA-N 0 0 302.338 1.410 50 5 DDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC000037895910 406995520 /nfs/dbraw/zinc/99/55/20/406995520.db2.gz GMQLQDMCXZMSBP-LLVKDONJSA-N 0 0 314.363 1.520 50 5 DDBARN Cc1ccnc(N2CCC(c3cc(N)n[nH]3)CC2)c1[N+](=O)[O-] ZINC000079038383 407050406 /nfs/dbraw/zinc/05/04/06/407050406.db2.gz UTPMMHZPQDHKQX-UHFFFAOYSA-N 0 0 302.338 1.988 50 5 DDBARN Cc1ccc(S(=O)(=O)NCc2ccncc2)c([N+](=O)[O-])c1 ZINC000095981568 407219956 /nfs/dbraw/zinc/21/99/56/407219956.db2.gz WKGHZALVUVMZIG-UHFFFAOYSA-N 0 0 307.331 1.777 50 5 DDBARN Cc1cc(Br)c(NC(=O)NCCO)cc1[N+](=O)[O-] ZINC000096010742 407223880 /nfs/dbraw/zinc/22/38/80/407223880.db2.gz WKUQHIMFVWNJJW-UHFFFAOYSA-N 0 0 318.127 1.780 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[S@](=O)C(C)(C)C1 ZINC000096461647 407270146 /nfs/dbraw/zinc/27/01/46/407270146.db2.gz NQERRGHTHWFJOY-OAQYLSRUSA-N 0 0 310.375 1.886 50 5 DDBARN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nnc(C3CC3)o1)CC2 ZINC000097110158 407281603 /nfs/dbraw/zinc/28/16/03/407281603.db2.gz QSFHBJPXBSYWPD-UHFFFAOYSA-N 0 0 301.306 1.809 50 5 DDBARN O=C(NCc1csc(=O)[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162540 407283729 /nfs/dbraw/zinc/28/37/29/407283729.db2.gz GHLMZBRPAHBUOM-UHFFFAOYSA-N 0 0 313.722 1.928 50 5 DDBARN COc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1[O-] ZINC000097162650 407283903 /nfs/dbraw/zinc/28/39/03/407283903.db2.gz QBSXFIDYHQASER-JQWIXIFHSA-N 0 0 309.366 1.868 50 5 DDBARN CC[S@@](=O)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000134645310 407920904 /nfs/dbraw/zinc/92/09/04/407920904.db2.gz WDIPBESFURGFMV-NRFANRHFSA-N 0 0 311.363 1.660 50 5 DDBARN Cc1ccc(C)c(S(=O)(=O)N(C)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000190004613 408143886 /nfs/dbraw/zinc/14/38/86/408143886.db2.gz LBFTVMPHKQZUKS-UHFFFAOYSA-N 0 0 324.362 1.770 50 5 DDBARN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1CO ZINC000133297204 196328876 /nfs/dbraw/zinc/32/88/76/196328876.db2.gz NMZKQCHJGDHISB-LBPRGKRZSA-N 0 0 303.318 1.602 50 5 DDBARN O=[N+]([O-])c1cnn(-c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000004951651 275042047 /nfs/dbraw/zinc/04/20/47/275042047.db2.gz QDDXWTIADYFVSP-UHFFFAOYSA-N 0 0 314.055 1.846 50 5 DDBARN CCN(CC)C(=O)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000095403357 276318428 /nfs/dbraw/zinc/31/84/28/276318428.db2.gz MAFGHVYCCJMTJG-UHFFFAOYSA-N 0 0 321.381 1.882 50 5 DDBARN COCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1 ZINC000004305943 277230384 /nfs/dbraw/zinc/23/03/84/277230384.db2.gz TUHLCFBWCFPADA-UHFFFAOYSA-N 0 0 310.358 1.406 50 5 DDBARN Cc1n[nH]c(C(=O)N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000069874423 280190283 /nfs/dbraw/zinc/19/02/83/280190283.db2.gz SEDWNZSMUDJDNS-LBPRGKRZSA-N 0 0 300.318 1.914 50 5 DDBARN Cc1cnc(N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)s1 ZINC000075103562 331947458 /nfs/dbraw/zinc/94/74/58/331947458.db2.gz GYMTZPYRDKRDGD-UHFFFAOYSA-N 0 0 322.394 1.728 50 5 DDBARN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 ZINC000081800783 192326951 /nfs/dbraw/zinc/32/69/51/192326951.db2.gz FZBUONUMCXGAHH-SNVBAGLBSA-N 0 0 306.297 1.997 50 5 DDBARN O=C(Cc1ccc(Oc2ccncc2[N+](=O)[O-])cc1)NCCO ZINC000078882406 185122503 /nfs/dbraw/zinc/12/25/03/185122503.db2.gz FFEOXZPQEFOGKJ-UHFFFAOYSA-N 0 0 317.301 1.433 50 5 DDBARN CCC(CO)(CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000079023768 185147153 /nfs/dbraw/zinc/14/71/53/185147153.db2.gz YMKDQMQOJCIPDG-UHFFFAOYSA-N 0 0 319.155 1.903 50 5 DDBARN Cc1nn(C)c(C)c1OCC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000095436574 185365112 /nfs/dbraw/zinc/36/51/12/185365112.db2.gz OLSUBXNXEVIHNI-UHFFFAOYSA-N 0 0 318.333 1.987 50 5 DDBARN CN1C(=O)[C@@H]([C@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] ZINC000005208578 282660227 /nfs/dbraw/zinc/66/02/27/282660227.db2.gz CUHQSXKQBFQMNR-JDEZKBKISA-N 0 0 306.299 1.548 50 5 DDBARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000065636 290924786 /nfs/dbraw/zinc/92/47/86/290924786.db2.gz KLYPXVWAKFQJOO-NSHDSACASA-N 0 0 316.277 1.043 50 5 DDBARN COC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000000037094 180674593 /nfs/dbraw/zinc/67/45/93/180674593.db2.gz DNABNAXVLJHMTK-UHFFFAOYSA-N 0 0 304.262 1.367 50 5 DDBARN CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000002541612 180933813 /nfs/dbraw/zinc/93/38/13/180933813.db2.gz VQYVJTCEEOYKHE-VXGBXAGGSA-N 0 0 312.322 1.514 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOc3ccccc3C2)c1 ZINC000076082582 353397727 /nfs/dbraw/zinc/39/77/27/353397727.db2.gz YCSFAGZCRGOKIZ-CQSZACIVSA-N 0 0 318.333 1.047 50 5 DDBARN Cc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000003317334 181004300 /nfs/dbraw/zinc/00/43/00/181004300.db2.gz GATJUJMAXWDSIK-UHFFFAOYSA-N 0 0 318.285 1.969 50 5 DDBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCOCC1 ZINC000003371191 181012324 /nfs/dbraw/zinc/01/23/24/181012324.db2.gz PRGIVFQYYHIKCZ-SNAWJCMRSA-N 0 0 320.301 1.010 50 5 DDBARN COc1ccc(CCNc2ncnc(N)c2[N+](=O)[O-])cc1OC ZINC000003912533 181058004 /nfs/dbraw/zinc/05/80/04/181058004.db2.gz AODAQPDOMVPEBF-UHFFFAOYSA-N 0 0 319.321 1.639 50 5 DDBARN COc1ccc(S(=O)(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000004318273 181096988 /nfs/dbraw/zinc/09/69/88/181096988.db2.gz IGGWRLZBDBLXCZ-UHFFFAOYSA-N 0 0 312.303 1.675 50 5 DDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C=C([O-])NC(=[NH2+])S1 ZINC000004352471 181101134 /nfs/dbraw/zinc/10/11/34/181101134.db2.gz AOYMLOSSSDVOHK-VIFPVBQESA-N 0 0 308.319 1.189 50 5 DDBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004873196 181166986 /nfs/dbraw/zinc/16/69/86/181166986.db2.gz UXHBMWNJODLLGC-UHFFFAOYSA-N 0 0 318.289 1.510 50 5 DDBARN CCN(CC)c1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 ZINC000005176948 181213658 /nfs/dbraw/zinc/21/36/58/181213658.db2.gz CKXDSDMTLIKBOL-VIFPVBQESA-N 0 0 310.358 1.404 50 5 DDBARN CS(=O)(=O)N(CCn1cnc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000187853426 200166662 /nfs/dbraw/zinc/16/66/62/200166662.db2.gz XWWPNRYYTZLXGU-UHFFFAOYSA-N 0 0 324.362 1.253 50 5 DDBARN COC(=O)[C@@]1(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000275446797 212337491 /nfs/dbraw/zinc/33/74/91/212337491.db2.gz SSCMCFWXWDAIAL-OAHLLOKOSA-N 0 0 322.317 1.528 50 5 DDBARN Nc1n[nH]c(SCC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000094986173 193411304 /nfs/dbraw/zinc/41/13/04/193411304.db2.gz CHJFJNLJFHBHHI-UHFFFAOYSA-N 0 0 313.726 1.924 50 5 DDBARN COCCN(CCOC)C(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000056063271 184003853 /nfs/dbraw/zinc/00/38/53/184003853.db2.gz KQRAAHQDYUMTQS-UHFFFAOYSA-N 0 0 321.333 1.811 50 5 DDBARN O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc2c(c1)OCO2 ZINC000065488247 184352947 /nfs/dbraw/zinc/35/29/47/184352947.db2.gz FKWZMJCIGDGBPE-UHFFFAOYSA-N 0 0 302.242 1.368 50 5 DDBARN O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000020649566 134648563 /nfs/dbraw/zinc/64/85/63/134648563.db2.gz RAXHUFOYCGQUQD-GFCCVEGCSA-N 0 0 320.349 1.065 50 5 DDBARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000135078 406623921 /nfs/dbraw/zinc/62/39/21/406623921.db2.gz TWRZPKOGAMULBM-LBPRGKRZSA-N 0 0 321.358 1.951 50 5 DDBARN Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2cccnc2)o1 ZINC000002857346 406705792 /nfs/dbraw/zinc/70/57/92/406705792.db2.gz DGACIFQYIJPYQV-UHFFFAOYSA-N 0 0 305.279 1.320 50 5 DDBARN Nc1n[nH]c(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000002567024 406691403 /nfs/dbraw/zinc/69/14/03/406691403.db2.gz WWIQWSUNGCLGEA-UHFFFAOYSA-N 0 0 313.726 1.924 50 5 DDBARN Cc1cc(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)n(C)n1 ZINC000002806251 406700802 /nfs/dbraw/zinc/70/08/02/406700802.db2.gz SCQFJSIONHDHDV-UHFFFAOYSA-N 0 0 303.282 1.126 50 5 DDBARN O=C(c1ccccc1[N+](=O)[O-])N1NC=C[C@@]1(O)C(F)(F)F ZINC000006926860 406744842 /nfs/dbraw/zinc/74/48/42/406744842.db2.gz KPRUUWSHMRWDLC-SNVBAGLBSA-N 0 0 303.196 1.677 50 5 DDBARN O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc([N+](=O)[O-])o1 ZINC000003151855 406714084 /nfs/dbraw/zinc/71/40/84/406714084.db2.gz NXMKJVJRMPHYRW-UHFFFAOYSA-N 0 0 301.214 1.324 50 5 DDBARN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000010327495 406820520 /nfs/dbraw/zinc/82/05/20/406820520.db2.gz TUYUALGDRLCSAV-SNVBAGLBSA-N 0 0 307.306 1.137 50 5 DDBARN CCOC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000012396703 406843804 /nfs/dbraw/zinc/84/38/04/406843804.db2.gz VNUPBKHARPLEHB-UHFFFAOYSA-N 0 0 308.294 1.930 50 5 DDBARN O=C(NC[C@@](O)(c1ccco1)C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000075154879 406924570 /nfs/dbraw/zinc/92/45/70/406924570.db2.gz FDVYYWAWCYTLNW-AWEZNQCLSA-N 0 0 306.274 1.808 50 5 DDBARN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045799308 407049857 /nfs/dbraw/zinc/04/98/57/407049857.db2.gz GJUCYGHTTAPAEI-JTQLQIEISA-N 0 0 300.336 1.145 50 5 DDBARN CCCCCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000084742993 407094087 /nfs/dbraw/zinc/09/40/87/407094087.db2.gz DYULYTNPXCNIOC-DZGCQCFKSA-N 0 0 310.350 1.686 50 5 DDBARN Cn1ccnc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000080693045 407072430 /nfs/dbraw/zinc/07/24/30/407072430.db2.gz FTYHUQGISZCRRB-UHFFFAOYSA-N 0 0 305.313 1.794 50 5 DDBARN Cc1c(C(=O)N[C@@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000055812313 407207367 /nfs/dbraw/zinc/20/73/67/407207367.db2.gz BZAXMVYMAFRERJ-JTQLQIEISA-N 0 0 305.334 1.644 50 5 DDBARN Cc1cccc(S(=O)(=O)CCCn2cnc([N+](=O)[O-])n2)c1 ZINC000097144316 407283165 /nfs/dbraw/zinc/28/31/65/407283165.db2.gz LILWRTRPSCWMED-UHFFFAOYSA-N 0 0 310.335 1.359 50 5 DDBARN CCOC(=O)CN1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100324840 407307667 /nfs/dbraw/zinc/30/76/67/407307667.db2.gz NMRPOHVKAQYACD-NSHDSACASA-N 0 0 306.274 1.000 50 5 DDBARN O=C(NC1(CO)CC1)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000170598234 407448864 /nfs/dbraw/zinc/44/88/64/407448864.db2.gz UGNJKCUISGUHNE-UHFFFAOYSA-N 0 0 302.290 1.240 50 5 DDBARN CCOC(=O)C1=C(c2ccccc2[N+](=O)[O-])NC(=S)N[C@H]1C ZINC000136631238 408115325 /nfs/dbraw/zinc/11/53/25/408115325.db2.gz VZTRKTGDVRBURA-QMMMGPOBSA-N 0 0 321.358 1.735 50 5 DDBARN Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc(Cl)c1=O ZINC000134402435 162078234 /nfs/dbraw/zinc/07/82/34/162078234.db2.gz SUMHXEFOUSCUDP-UHFFFAOYSA-N 0 0 324.680 1.300 50 5 DDBARN CC[C@@H](C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005447522 280111534 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C[C@@H]1CCc2ccccc2N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000078949900 185134233 /nfs/dbraw/zinc/13/42/33/185134233.db2.gz QPBBHYOLSDJREN-IUODEOHRSA-N 0 0 316.361 1.994 50 5 DDBARN CC(=O)Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000000376508 180770946 /nfs/dbraw/zinc/77/09/46/180770946.db2.gz DHRHCOKWHQLNFG-UHFFFAOYSA-N 0 0 317.305 1.697 50 5 DDBARN CCOC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000001230376 180850357 /nfs/dbraw/zinc/85/03/57/180850357.db2.gz AODRKQYGBCFWFL-UHFFFAOYSA-N 0 0 321.333 1.818 50 5 DDBARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000003312271 181003663 /nfs/dbraw/zinc/00/36/63/181003663.db2.gz GXZIRHIOSJBQPT-NXEZZACHSA-N 0 0 310.306 1.849 50 5 DDBARN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000003878345 181051662 /nfs/dbraw/zinc/05/16/62/181051662.db2.gz VOVQZRKSCHGYNT-YUMQZZPRSA-N 0 0 324.293 1.335 50 5 DDBARN Cc1nn(Cc2cc(=O)n3ccsc3n2)c(C)c1[N+](=O)[O-] ZINC000004548829 181123231 /nfs/dbraw/zinc/12/32/31/181123231.db2.gz RHCXGZGMEBROOH-UHFFFAOYSA-N 0 0 305.319 1.526 50 5 DDBARN COCCNc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-] ZINC000004923555 181173876 /nfs/dbraw/zinc/17/38/76/181173876.db2.gz ATBOYIDYUXMCCW-UHFFFAOYSA-N 0 0 313.701 1.126 50 5 DDBARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000004991041 181186154 /nfs/dbraw/zinc/18/61/54/181186154.db2.gz KSNCXVFNNAPSDE-UHFFFAOYSA-N 0 0 300.336 1.778 50 5 DDBARN NS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005259660 181222813 /nfs/dbraw/zinc/22/28/13/181222813.db2.gz GXURTGGHGFXDRP-UHFFFAOYSA-N 0 0 321.314 1.495 50 5 DDBARN CCOC(=O)Cc1nnc(Sc2ncccc2[N+](=O)[O-])n1C ZINC000008747221 181582380 /nfs/dbraw/zinc/58/23/80/181582380.db2.gz RBOFTYQQTSSZHJ-UHFFFAOYSA-N 0 0 323.334 1.375 50 5 DDBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1 ZINC000020898573 182252113 /nfs/dbraw/zinc/25/21/13/182252113.db2.gz QQAXFVRYUWYEJU-UHFFFAOYSA-N 0 0 300.318 1.986 50 5 DDBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000028023572 182505603 /nfs/dbraw/zinc/50/56/03/182505603.db2.gz XDBBXKDPOSYBLF-SNAWJCMRSA-N 0 0 318.329 1.974 50 5 DDBARN N=c1ccc([N+](=O)[O-])cn1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000100292136 193797859 /nfs/dbraw/zinc/79/78/59/193797859.db2.gz HYVYMGWGDQMRPR-UHFFFAOYSA-N 0 0 302.246 1.667 50 5 DDBARN COc1ccc(C(=O)NCc2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000058159757 184082366 /nfs/dbraw/zinc/08/23/66/184082366.db2.gz NDSRIXQVFKJLKC-UHFFFAOYSA-N 0 0 303.274 1.222 50 5 DDBARN NC(=O)c1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000058266871 184097143 /nfs/dbraw/zinc/09/71/43/184097143.db2.gz UVJJWFVDQPOOHX-DZGCQCFKSA-N 0 0 319.361 1.837 50 5 DDBARN O=[N+]([O-])c1ccc(N2CCCN(c3ncccn3)CC2)nc1 ZINC000069588026 285122907 /nfs/dbraw/zinc/12/29/07/285122907.db2.gz IEDAMZOABSZWOW-UHFFFAOYSA-N 0 0 300.322 1.497 50 5 DDBARN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1cn[nH]c1 ZINC000179171716 285157379 /nfs/dbraw/zinc/15/73/79/285157379.db2.gz JVNPXDGIIOSBRN-UHFFFAOYSA-N 0 0 308.319 1.459 50 5 DDBARN CCOC(=O)C1C(=O)C(=O)N(C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006499486 285672198 /nfs/dbraw/zinc/67/21/98/285672198.db2.gz FRNMWDNGNPNYES-NSHDSACASA-N 0 0 306.274 1.483 50 5 DDBARN COc1cc(C(=O)NCc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000000183928 406630067 /nfs/dbraw/zinc/63/00/67/406630067.db2.gz GZOWISMQTATWNA-UHFFFAOYSA-N 0 0 317.301 1.937 50 5 DDBARN COc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)c1OC ZINC000000451477 406648492 /nfs/dbraw/zinc/64/84/92/406648492.db2.gz CEPAIOWRPDKZQP-CABZTGNLSA-N 0 0 310.306 1.309 50 5 DDBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)C1 ZINC000005162754 406731727 /nfs/dbraw/zinc/73/17/27/406731727.db2.gz LPIUCUDAPNXWOH-JTQLQIEISA-N 0 0 322.369 1.040 50 5 DDBARN CN(C[C@@H]1COc2ccccc2O1)c1c([N+](=O)[O-])ncn1C ZINC000007124325 406749900 /nfs/dbraw/zinc/74/99/00/406749900.db2.gz GNILTHJIDSNLSX-SNVBAGLBSA-N 0 0 304.306 1.605 50 5 DDBARN COc1ccc(C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000002872616 406706014 /nfs/dbraw/zinc/70/60/14/406706014.db2.gz YSHFUZOAIHQRRH-UHFFFAOYSA-N 0 0 321.333 1.346 50 5 DDBARN CCn1c2ccccc2c(N2CCOCC2)c([N+](=O)[O-])c1=O ZINC000004264097 406724128 /nfs/dbraw/zinc/72/41/28/406724128.db2.gz MRJYZJIUXASXQS-UHFFFAOYSA-N 0 0 303.318 1.766 50 5 DDBARN O=C(NCCCOc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000009317007 406807511 /nfs/dbraw/zinc/80/75/11/406807511.db2.gz GBBVFMQRNSHSCW-UHFFFAOYSA-N 0 0 317.301 1.482 50 5 DDBARN COC(=O)CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000009337814 406807975 /nfs/dbraw/zinc/80/79/75/406807975.db2.gz IFOYGXJZBWNNQV-UHFFFAOYSA-N 0 0 321.333 1.852 50 5 DDBARN O=C(NCc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000012554287 406848326 /nfs/dbraw/zinc/84/83/26/406848326.db2.gz JJJVKUJFINHOKL-UHFFFAOYSA-N 0 0 301.258 1.649 50 5 DDBARN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000071904629 406865294 /nfs/dbraw/zinc/86/52/94/406865294.db2.gz PTIQEWRVLCBOEO-MNOVXSKESA-N 0 0 300.380 1.848 50 5 DDBARN CCN(CC)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000026931619 406907092 /nfs/dbraw/zinc/90/70/92/406907092.db2.gz IASOJFNZBMEFEM-UHFFFAOYSA-N 0 0 324.337 1.407 50 5 DDBARN Cc1ccc(S(=O)(=O)NCc2ccnn2C)cc1[N+](=O)[O-] ZINC000030595980 406933471 /nfs/dbraw/zinc/93/34/71/406933471.db2.gz MMBXCYHZWPFUAA-UHFFFAOYSA-N 0 0 310.335 1.115 50 5 DDBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(N)=O)C1 ZINC000032664823 406951439 /nfs/dbraw/zinc/95/14/39/406951439.db2.gz QILMBZWXKRSDRJ-GHMZBOCLSA-N 0 0 320.349 1.119 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@H](O)Cn2cnc3cc(F)c(F)cc32)c1 ZINC000076081936 406953398 /nfs/dbraw/zinc/95/33/98/406953398.db2.gz VRKYTEXGAWTTMB-SECBINFHSA-N 0 0 323.259 1.480 50 5 DDBARN CC(C)c1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)no1 ZINC000089893357 407156338 /nfs/dbraw/zinc/15/63/38/407156338.db2.gz CSFSXRUNJJZNIH-UHFFFAOYSA-N 0 0 308.298 1.724 50 5 DDBARN COc1ccccc1N1CC[C@@H](n2cc([N+](=O)[O-])cn2)C1=O ZINC000095994873 407222140 /nfs/dbraw/zinc/22/21/40/407222140.db2.gz 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ZINC000089466849 332070039 /nfs/dbraw/zinc/07/00/39/332070039.db2.gz PFQQONXPXAERTK-UHFFFAOYSA-N 0 0 302.250 1.293 50 5 DDBARN CC(C)[C@H](C)NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000169863440 484093373 /nfs/dbraw/zinc/09/33/73/484093373.db2.gz CKZSQIZHNWXQBC-JTQLQIEISA-N 0 0 314.363 1.529 50 5 DDBARN CC(C)[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000097096909 696605215 /nfs/dbraw/zinc/60/52/15/696605215.db2.gz YKIZBMFIUWFLSX-FJVVXJACSA-N 0 0 319.361 1.837 50 5 DDBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCOCC1 ZINC000095461305 185371083 /nfs/dbraw/zinc/37/10/83/185371083.db2.gz MEIDRVGOPMAMOE-UHFFFAOYSA-N 0 0 307.306 1.009 50 5 DDBARN COC(=O)c1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000002763700 180953384 /nfs/dbraw/zinc/95/33/84/180953384.db2.gz ZVFYZXXQEOSMHU-UHFFFAOYSA-N 0 0 318.289 1.525 50 5 DDBARN Cc1ccc(=O)n(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000078931855 353541416 /nfs/dbraw/zinc/54/14/16/353541416.db2.gz NSSKPXILAPBRBW-UHFFFAOYSA-N 0 0 313.273 1.558 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406631516 /nfs/dbraw/zinc/63/15/16/406631516.db2.gz FISCYDFQXDAOTP-UHFFFAOYSA-N 0 0 311.248 1.883 50 5 DDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1 ZINC000000476671 406651012 /nfs/dbraw/zinc/65/10/12/406651012.db2.gz FNXPPIHUJHPWLS-UHFFFAOYSA-N 0 0 313.317 1.347 50 5 DDBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)OC)n1 ZINC000001002159 406663373 /nfs/dbraw/zinc/66/33/73/406663373.db2.gz HXTGZYKCSPOAEE-UHFFFAOYSA-N 0 0 318.289 1.850 50 5 DDBARN Cc1cc(Oc2nc([N+](=O)[O-])nn2CC(N)=O)ccc1Cl ZINC000001060175 406663507 /nfs/dbraw/zinc/66/35/07/406663507.db2.gz RNJZJXVYBSDCPM-UHFFFAOYSA-N 0 0 311.685 1.426 50 5 DDBARN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000002898494 406704178 /nfs/dbraw/zinc/70/41/78/406704178.db2.gz FRPPZYHJVXVLNL-IUCAKERBSA-N 0 0 309.278 1.752 50 5 DDBARN COc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003233968 406713081 /nfs/dbraw/zinc/71/30/81/406713081.db2.gz FFLAJCJLRSNKBV-UHFFFAOYSA-N 0 0 320.257 1.992 50 5 DDBARN Cc1c(C(=O)NCc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000012996126 406856250 /nfs/dbraw/zinc/85/62/50/406856250.db2.gz IERLGWIDFQZFGD-UHFFFAOYSA-N 0 0 301.306 1.371 50 5 DDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000013134888 406859730 /nfs/dbraw/zinc/85/97/30/406859730.db2.gz QBHIKBMAJQCAMD-PHIMTYICSA-N 0 0 323.349 1.651 50 5 DDBARN CCOC(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071899703 406864004 /nfs/dbraw/zinc/86/40/04/406864004.db2.gz ZRQVKPFNYXHCIA-UHFFFAOYSA-N 0 0 315.713 1.724 50 5 DDBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC(=O)NC1 ZINC000072062968 406873334 /nfs/dbraw/zinc/87/33/34/406873334.db2.gz BJGDYHAWSOUAPP-NXEZZACHSA-N 0 0 323.374 1.470 50 5 DDBARN Cc1cc(N2CCCCCC2)c(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000072293288 406879278 /nfs/dbraw/zinc/87/92/78/406879278.db2.gz VZDYJLMMNXQRHF-UHFFFAOYSA-N 0 0 313.379 1.931 50 5 DDBARN Nc1nc(NCCCc2nnc3ccccn32)ncc1[N+](=O)[O-] ZINC000075091841 406921341 /nfs/dbraw/zinc/92/13/41/406921341.db2.gz 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Cc1ccc(CN2CCN(c3n[nH]cc3[N+](=O)[O-])CC2)cc1 ZINC000006400612 181337743 /nfs/dbraw/zinc/33/77/43/181337743.db2.gz DCUVMDRACPNYRL-UHFFFAOYSA-N 0 0 301.350 1.949 50 5 DDBARN NC(=O)c1ccc(CSc2nnc(N)s2)c([N+](=O)[O-])c1 ZINC000009483121 181624199 /nfs/dbraw/zinc/62/41/99/181624199.db2.gz OGHNJOINQUCKSR-UHFFFAOYSA-N 0 0 311.348 1.420 50 5 DDBARN Cn1ncc([N+](=O)[O-])c1-c1nn2c(nnc2C(F)F)s1 ZINC000020606000 182237836 /nfs/dbraw/zinc/23/78/36/182237836.db2.gz QSAKQFNQLJMEKE-UHFFFAOYSA-N 0 0 301.238 1.432 50 5 DDBARN COc1ccc(CCNC(=O)CCn2cnc([N+](=O)[O-])c2)cc1 ZINC000024375662 182379783 /nfs/dbraw/zinc/37/97/83/182379783.db2.gz ZDNZKJOPEZYFKG-UHFFFAOYSA-N 0 0 318.333 1.549 50 5 DDBARN CCCNC(=O)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000040525439 183091903 /nfs/dbraw/zinc/09/19/03/183091903.db2.gz HLUXVWXDIODLKS-SNVBAGLBSA-N 0 0 308.338 1.939 50 5 DDBARN COC(=O)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000040714993 183122621 /nfs/dbraw/zinc/12/26/21/183122621.db2.gz 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/nfs/dbraw/zinc/73/33/71/406733371.db2.gz WUBGYNQCBAOXPT-LLVKDONJSA-N 0 0 302.290 1.656 50 5 DDBARN C[C@@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007813910 406768837 /nfs/dbraw/zinc/76/88/37/406768837.db2.gz NHJWBXDEHROIEM-MRVPVSSYSA-N 0 0 307.335 1.843 50 5 DDBARN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000070905372 406827163 /nfs/dbraw/zinc/82/71/63/406827163.db2.gz OUEPGVMYQHECJS-GFCCVEGCSA-N 0 0 318.333 1.765 50 5 DDBARN C[C@H](CS(C)(=O)=O)N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000072281932 406878700 /nfs/dbraw/zinc/87/87/00/406878700.db2.gz PMXPCLWGNRCKQD-SECBINFHSA-N 0 0 312.351 1.112 50 5 DDBARN O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccc3c(c2)OCO3)cn1 ZINC000029259454 406922724 /nfs/dbraw/zinc/92/27/24/406922724.db2.gz VGADZRNYXMNSMS-LLVKDONJSA-N 0 0 321.289 1.098 50 5 DDBARN O=[N+]([O-])c1cnn(C[C@@H](O)Cn2cnc3cc(F)c(F)cc32)c1 ZINC000076081933 406953739 /nfs/dbraw/zinc/95/37/39/406953739.db2.gz VRKYTEXGAWTTMB-VIFPVBQESA-N 0 0 323.259 1.480 50 5 DDBARN CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000032902815 406955031 /nfs/dbraw/zinc/95/50/31/406955031.db2.gz MMGQTARCKHGVJO-VOTSOKGWSA-N 0 0 317.345 1.593 50 5 DDBARN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000032932563 406957259 /nfs/dbraw/zinc/95/72/59/406957259.db2.gz JKYMKFYKYKLAGY-UWVGGRQHSA-N 0 0 304.224 1.867 50 5 DDBARN O=[N+]([O-])c1cccc(-n2nnnc2CNCc2ccco2)c1 ZINC000033511793 406962252 /nfs/dbraw/zinc/96/22/52/406962252.db2.gz LDMPDSHVZWOFIW-UHFFFAOYSA-N 0 0 300.278 1.453 50 5 DDBARN CN1CCO[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000079983137 407067186 /nfs/dbraw/zinc/06/71/86/407067186.db2.gz ZOBKSRNTCNAWIS-ZDUSSCGKSA-N 0 0 307.350 1.277 50 5 DDBARN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(=O)C1CC1 ZINC000095458386 407214396 /nfs/dbraw/zinc/21/43/96/407214396.db2.gz UFZICDIHVSPTBR-UHFFFAOYSA-N 0 0 312.347 1.469 50 5 DDBARN COC(=O)c1cc([N+](=O)[O-])cc(C(=O)OC)c1-n1ccnc1 ZINC000096124723 407239939 /nfs/dbraw/zinc/23/99/39/407239939.db2.gz 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