smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=C\c1nc2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 ZINC000096859756 185389628 /nfs/dbraw/zinc/38/96/28/185389628.db2.gz PDCKNNZUDOHFOX-HJWRWDBZSA-N 0 0 309.281 3.388 50 5 DGBARN Cc1nc([N+](=O)[O-])c(NCC2(c3ccccc3)CCC2)n1C ZINC000103278270 432005591 /nfs/dbraw/zinc/00/55/91/432005591.db2.gz ARWRQNRBYZXCEB-UHFFFAOYSA-N 0 0 300.362 3.171 50 5 DGBARN Cc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000000331105 190613329 /nfs/dbraw/zinc/61/33/29/190613329.db2.gz LFSKMFJVFZFXBE-UHFFFAOYSA-N 0 0 318.304 3.368 50 5 DGBARN COc1ncccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000097059202 185405001 /nfs/dbraw/zinc/40/50/01/185405001.db2.gz SUFUEWHFRBRAKA-UHFFFAOYSA-N 0 0 318.329 3.365 50 5 DGBARN O=C(NCc1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000072295430 191112077 /nfs/dbraw/zinc/11/20/77/191112077.db2.gz QDVNHOWRNKKSFP-UHFFFAOYSA-N 0 0 323.308 3.180 50 5 DGBARN COc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000000289924 180749063 /nfs/dbraw/zinc/74/90/63/180749063.db2.gz RRQYTECQODXOEP-UHFFFAOYSA-N 0 0 311.297 3.244 50 5 DGBARN Cc1cc(C)cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000000316524 180757845 /nfs/dbraw/zinc/75/78/45/180757845.db2.gz ZPGXCKDFBXJOFS-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN COc1ccccc1Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000317016 180758248 /nfs/dbraw/zinc/75/82/48/180758248.db2.gz OINFXSKSTFMZIJ-UHFFFAOYSA-N 0 0 311.297 3.244 50 5 DGBARN Cc1cc2ccccc2n1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000000427890 180787410 /nfs/dbraw/zinc/78/74/10/180787410.db2.gz KQNOYDSDGINRMG-UHFFFAOYSA-N 0 0 323.352 3.288 50 5 DGBARN Cc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000438114 180791160 /nfs/dbraw/zinc/79/11/60/180791160.db2.gz JEVYLXHIDYTLOV-UHFFFAOYSA-N 0 0 304.733 3.487 50 5 DGBARN O=Cc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000000547941 180818886 /nfs/dbraw/zinc/81/88/86/180818886.db2.gz BJNDJEACFAPHLI-UHFFFAOYSA-N 0 0 323.308 3.001 50 5 DGBARN Cc1cc(OCC(=O)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000000620466 180831300 /nfs/dbraw/zinc/83/13/00/180831300.db2.gz KPNWHTYHTQTPFB-UHFFFAOYSA-N 0 0 322.267 3.199 50 5 DGBARN Cc1nn(CC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000001060034 180844181 /nfs/dbraw/zinc/84/41/81/180844181.db2.gz CZHVENDPUHCMGJ-UHFFFAOYSA-N 0 0 322.752 3.009 50 5 DGBARN O=C1CSC(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)=N1 ZINC000001395285 180860161 /nfs/dbraw/zinc/86/01/61/180860161.db2.gz VLSMUUZFUHPCLB-UHFFFAOYSA-N 0 0 319.367 3.471 50 5 DGBARN Cn1sc2cc([N+](=O)[O-])cc(Oc3ccccc3)c2c1=O ZINC000000052875 282905588 /nfs/dbraw/zinc/90/55/88/282905588.db2.gz IPHVDTBFEZIDOQ-UHFFFAOYSA-N 0 0 302.311 3.301 50 5 DGBARN Cc1nn(CC(=O)Nc2ccc(C)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000003447157 181020933 /nfs/dbraw/zinc/02/09/33/181020933.db2.gz BXAOHGBZWVLHRW-UHFFFAOYSA-N 0 0 322.752 3.009 50 5 DGBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000004032147 181065205 /nfs/dbraw/zinc/06/52/05/181065205.db2.gz UDEGPZQRLIYDLV-UHFFFAOYSA-N 0 0 313.338 3.446 50 5 DGBARN COc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000003953458 181058500 /nfs/dbraw/zinc/05/85/00/181058500.db2.gz ZXUUTPKDKOWHNZ-HNNXBMFYSA-N 0 0 304.371 3.388 50 5 DGBARN O=C1OC(c2ccccc2F)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000004588866 181128195 /nfs/dbraw/zinc/12/81/95/181128195.db2.gz IGSIGWRBYGKUEF-ZROIWOOFSA-N 0 0 312.256 3.078 50 5 DGBARN Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000004611075 181129249 /nfs/dbraw/zinc/12/92/49/181129249.db2.gz GRUBHZBFHKJBAM-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN COC(=O)c1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000004721824 181142228 /nfs/dbraw/zinc/14/22/28/181142228.db2.gz OAZLTQNRHLJEGC-INIZCTEOSA-N 0 0 324.336 3.363 50 5 DGBARN CCOc1ccccc1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000004819152 181155999 /nfs/dbraw/zinc/15/59/99/181155999.db2.gz DSHXGBVULRNZOC-UHFFFAOYSA-N 0 0 300.274 3.273 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000004964429 181180767 /nfs/dbraw/zinc/18/07/67/181180767.db2.gz WDLBGMIGNCVGGX-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004997127 181187386 /nfs/dbraw/zinc/18/73/86/181187386.db2.gz IWWADEVEQUOHFD-UHFFFAOYSA-N 0 0 315.285 3.074 50 5 DGBARN CNc1nc(CNc2ccc3ncccc3c2[N+](=O)[O-])cs1 ZINC000076061308 191565394 /nfs/dbraw/zinc/56/53/94/191565394.db2.gz UNQWYOKGPAGZME-UHFFFAOYSA-N 0 0 315.358 3.253 50 5 DGBARN Cc1ccccc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000005103381 181203911 /nfs/dbraw/zinc/20/39/11/181203911.db2.gz QSCQUMFARRUPMI-UHFFFAOYSA-N 0 0 315.354 3.030 50 5 DGBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000005109334 181204299 /nfs/dbraw/zinc/20/42/99/181204299.db2.gz QILLIMHLQIFCKY-SNVBAGLBSA-N 0 0 304.277 3.140 50 5 DGBARN Cc1cc(C)nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000005123860 181206581 /nfs/dbraw/zinc/20/65/81/181206581.db2.gz VOLMITBBTHYMNC-UHFFFAOYSA-N 0 0 315.358 3.170 50 5 DGBARN Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000005277172 181225793 /nfs/dbraw/zinc/22/57/93/181225793.db2.gz WPPLZGQSVURXKV-UHFFFAOYSA-N 0 0 320.370 3.321 50 5 DGBARN CCCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005456941 181245685 /nfs/dbraw/zinc/24/56/85/181245685.db2.gz MRMUPNBJPQJUKW-VIFPVBQESA-N 0 0 305.290 3.049 50 5 DGBARN O=C(Nc1ncccc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000179955575 432075465 /nfs/dbraw/zinc/07/54/65/432075465.db2.gz UGJUOJRBPXJZGK-UHFFFAOYSA-N 0 0 313.647 3.174 50 5 DGBARN COc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005966731 181302178 /nfs/dbraw/zinc/30/21/78/181302178.db2.gz DVKDMGPAQBOEGB-UHFFFAOYSA-N 0 0 301.298 3.003 50 5 DGBARN O=[N+]([O-])c1cccc(-c2csc(NC[C@H]3CCCO3)n2)c1 ZINC000006784408 181387777 /nfs/dbraw/zinc/38/77/77/181387777.db2.gz PWQGEUSAGYNNOV-GFCCVEGCSA-N 0 0 305.359 3.309 50 5 DGBARN O=C(NC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660572 283924676 /nfs/dbraw/zinc/92/46/76/283924676.db2.gz BDIJFKPPLBYBAX-UHFFFAOYSA-N 0 0 317.389 3.258 50 5 DGBARN O=[N+]([O-])c1ncccc1OCc1ccccc1Br ZINC000007045105 181433738 /nfs/dbraw/zinc/43/37/38/181433738.db2.gz OGPUMXYISZDVJC-UHFFFAOYSA-N 0 0 309.119 3.331 50 5 DGBARN Cc1nn(C)cc1C=C(Cl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000221974016 201599138 /nfs/dbraw/zinc/59/91/38/201599138.db2.gz VLHRKCMKEIEIRN-WZUFQYTHSA-N 0 0 317.736 3.250 50 5 DGBARN C[C@@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008562321 181564632 /nfs/dbraw/zinc/56/46/32/181564632.db2.gz CQHYZVAFHSJCMV-OLZOCXBDSA-N 0 0 314.341 3.240 50 5 DGBARN COCCOC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000011539845 181692126 /nfs/dbraw/zinc/69/21/26/181692126.db2.gz LUFOZNLXXKGQAF-UHFFFAOYSA-N 0 0 316.313 3.142 50 5 DGBARN O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000375204 284297508 /nfs/dbraw/zinc/29/75/08/284297508.db2.gz BBFJFJGLAFDPHP-UHFFFAOYSA-N 0 0 311.091 3.203 50 5 DGBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccnc1 ZINC000024238097 182377252 /nfs/dbraw/zinc/37/72/52/182377252.db2.gz CQSMGHGJGSXIAQ-CQSZACIVSA-N 0 0 312.329 3.359 50 5 DGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(C2CC2)cs1 ZINC000026049719 182429462 /nfs/dbraw/zinc/42/94/62/182429462.db2.gz PACVHEBWLXJSGQ-UHFFFAOYSA-N 0 0 303.343 3.110 50 5 DGBARN CCOc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000036092139 182797802 /nfs/dbraw/zinc/79/78/02/182797802.db2.gz FDERFRQZKXHUIK-VURMDHGXSA-N 0 0 304.302 3.469 50 5 DGBARN Cc1ccc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000040040338 183028939 /nfs/dbraw/zinc/02/89/39/183028939.db2.gz CCVGDWSHGVBGCD-UHFFFAOYSA-N 0 0 317.320 3.483 50 5 DGBARN Cc1c(NC(=O)NCCCOCC(C)C)cccc1[N+](=O)[O-] ZINC000040099059 183034811 /nfs/dbraw/zinc/03/48/11/183034811.db2.gz MBZZVELWCCNXJM-UHFFFAOYSA-N 0 0 309.366 3.087 50 5 DGBARN CCOC(=O)c1csc2nc(-c3ccccc3[N+](=O)[O-])cn12 ZINC000040440708 183067613 /nfs/dbraw/zinc/06/76/13/183067613.db2.gz IRSKLZCUEHZASS-UHFFFAOYSA-N 0 0 317.326 3.148 50 5 DGBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccc(F)c1 ZINC000040512621 183087801 /nfs/dbraw/zinc/08/78/01/183087801.db2.gz DXGWILACENSGGI-UHFFFAOYSA-N 0 0 316.332 3.325 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1OCc1nc(-c2ccco2)no1 ZINC000042180391 183238831 /nfs/dbraw/zinc/23/88/31/183238831.db2.gz ZVJHWPVRQCPNKV-UHFFFAOYSA-N 0 0 301.258 3.125 50 5 DGBARN Cn1cc([C@@H](CC(N)=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798300 194255125 /nfs/dbraw/zinc/25/51/25/194255125.db2.gz AMTNPQKXAGTAIN-HNNXBMFYSA-N 0 0 323.352 3.094 50 5 DGBARN Cn1cc([C@H](CC(N)=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798303 194255320 /nfs/dbraw/zinc/25/53/20/194255320.db2.gz AMTNPQKXAGTAIN-OAHLLOKOSA-N 0 0 323.352 3.094 50 5 DGBARN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000050037535 183768465 /nfs/dbraw/zinc/76/84/65/183768465.db2.gz PSRHRIHZEQTNKR-SSDOTTSWSA-N 0 0 312.297 3.426 50 5 DGBARN CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC000058162590 184082837 /nfs/dbraw/zinc/08/28/37/184082837.db2.gz VHNYNJYPRGXGRI-UHFFFAOYSA-N 0 0 322.408 3.412 50 5 DGBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc(Oc2ccccn2)cc1 ZINC000058378531 184109961 /nfs/dbraw/zinc/10/99/61/184109961.db2.gz DTUDLFVYRBHVBG-UHFFFAOYSA-N 0 0 312.285 3.308 50 5 DGBARN Cc1c(OCC(=O)N2CCCCCCC2)cccc1[N+](=O)[O-] ZINC000059012627 184133768 /nfs/dbraw/zinc/13/37/68/184133768.db2.gz FUGJJJZXWFWXHX-UHFFFAOYSA-N 0 0 306.362 3.075 50 5 DGBARN CC(C)N(CC(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000269149446 207277306 /nfs/dbraw/zinc/27/73/06/207277306.db2.gz KXTASTWBCDPHLR-UHFFFAOYSA-N 0 0 306.696 3.364 50 5 DGBARN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000065567431 184367015 /nfs/dbraw/zinc/36/70/15/184367015.db2.gz MBDDNCHSSDNBGV-ZETCQYMHSA-N 0 0 311.750 3.196 50 5 DGBARN O=[N+]([O-])c1c(F)cccc1N1CCN(Cc2ccccc2)CC1 ZINC000049980422 285077058 /nfs/dbraw/zinc/07/70/58/285077058.db2.gz JSKJAVZPTLRZSZ-UHFFFAOYSA-N 0 0 315.348 3.056 50 5 DGBARN O=[N+]([O-])c1c(F)cc(F)c(Br)c1Br ZINC000263623688 285075927 /nfs/dbraw/zinc/07/59/27/285075927.db2.gz JSJZROQVILDOSC-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN O=[N+]([O-])c1ccc(-c2nc3c4ccccc4[nH]c(=S)n3n2)cc1 ZINC000006885993 285104975 /nfs/dbraw/zinc/10/49/75/285104975.db2.gz BQBZRMYZMRVUBH-UHFFFAOYSA-N 0 0 323.337 3.141 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NCCC2=CCCCC2)c1 ZINC000021614540 257269031 /nfs/dbraw/zinc/26/90/31/257269031.db2.gz CYYHPIYQBJOOTQ-UHFFFAOYSA-N 0 0 318.373 3.289 50 5 DGBARN C[C@@H](COCC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000071914505 184903639 /nfs/dbraw/zinc/90/36/39/184903639.db2.gz PKSRJTCJSPGECP-LURJTMIESA-N 0 0 313.663 3.023 50 5 DGBARN COc1ccc(-c2nnc3ccc4ccccc4n32)cc1[N+](=O)[O-] ZINC000000080329 286265084 /nfs/dbraw/zinc/26/50/84/286265084.db2.gz KFMQOUKGCSAUEB-UHFFFAOYSA-N 0 0 320.308 3.466 50 5 DGBARN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]4CC[C@H]4[C@H]23)c([N+](=O)[O-])c1 ZINC000247318466 432221059 /nfs/dbraw/zinc/22/10/59/432221059.db2.gz LCQCZRRBUXXKQU-FWZIUSJTSA-N 0 0 304.302 3.064 50 5 DGBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2 ZINC000004576864 273494050 /nfs/dbraw/zinc/49/40/50/273494050.db2.gz HEIMRNMDKUVGDM-UHFFFAOYSA-N 0 0 313.269 3.033 50 5 DGBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003151018 274997123 /nfs/dbraw/zinc/99/71/23/274997123.db2.gz HGUHGVKVQRGYEN-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000005346115 275034729 /nfs/dbraw/zinc/03/47/29/275034729.db2.gz NOLTXCDWMVLZAN-UHFFFAOYSA-N 0 0 313.298 3.021 50 5 DGBARN CC(=O)N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004675406 275445796 /nfs/dbraw/zinc/44/57/96/275445796.db2.gz NLTYRXSPRBUXDZ-UHFFFAOYSA-N 0 0 301.258 3.188 50 5 DGBARN CCc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000008587133 276707966 /nfs/dbraw/zinc/70/79/66/276707966.db2.gz HTCMQXPFRXZNRL-UHFFFAOYSA-N 0 0 316.361 3.444 50 5 DGBARN COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000009426462 277875723 /nfs/dbraw/zinc/87/57/23/277875723.db2.gz AXFFNGMZLDTZAH-NSHDSACASA-N 0 0 312.325 3.195 50 5 DGBARN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000187563 278074560 /nfs/dbraw/zinc/07/45/60/278074560.db2.gz LASNDSHWBVPSLM-QGZVFWFLSA-N 0 0 309.325 3.292 50 5 DGBARN CC(C)(C)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000000069146 431120361 /nfs/dbraw/zinc/12/03/61/431120361.db2.gz MHHGMULXFMEBHA-UHFFFAOYSA-N 0 0 306.347 3.098 50 5 DGBARN Cc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000067943 431120490 /nfs/dbraw/zinc/12/04/90/431120490.db2.gz LBAIGGSVFJQRSO-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN CCOC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000101913 431125865 /nfs/dbraw/zinc/12/58/65/431125865.db2.gz IBZPKGAXUXIGEW-UHFFFAOYSA-N 0 0 314.297 3.024 50 5 DGBARN COc1ccc(OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000102891 431126274 /nfs/dbraw/zinc/12/62/74/431126274.db2.gz FSDJKKNLOBZNLQ-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN CCOc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000145608 431134254 /nfs/dbraw/zinc/13/42/54/431134254.db2.gz RDIBXHNYQNXPMB-UHFFFAOYSA-N 0 0 316.313 3.011 50 5 DGBARN COC(=O)c1cccc(C)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000000124774 431131358 /nfs/dbraw/zinc/13/13/58/431131358.db2.gz SXLNYSWPRYTHKB-UHFFFAOYSA-N 0 0 301.298 3.269 50 5 DGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000162720 431137464 /nfs/dbraw/zinc/13/74/64/431137464.db2.gz GZVATEIAGYVWFE-UHFFFAOYSA-N 0 0 319.700 3.288 50 5 DGBARN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000000180950 431142577 /nfs/dbraw/zinc/14/25/77/431142577.db2.gz PVMLLOHQCURMSH-UHFFFAOYSA-N 0 0 308.240 3.134 50 5 DGBARN Cc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000000190760 431141293 /nfs/dbraw/zinc/14/12/93/431141293.db2.gz OHWUCLHWQHYSFN-XNTDXEJSSA-N 0 0 308.293 3.248 50 5 DGBARN COc1ccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000313067 431164523 /nfs/dbraw/zinc/16/45/23/431164523.db2.gz HURJFJMAUUXPLJ-UHFFFAOYSA-N 0 0 300.314 3.093 50 5 DGBARN COc1ccc(C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000000313356 431165609 /nfs/dbraw/zinc/16/56/09/431165609.db2.gz ZSTJCWUKCSHDNH-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN COc1ccc(NC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000000557928 431201245 /nfs/dbraw/zinc/20/12/45/431201245.db2.gz NPIHSOKHDQUBBH-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NCc1ccc(OC)c(OC)c1 ZINC000000355307 431170253 /nfs/dbraw/zinc/17/02/53/431170253.db2.gz OCRKKINICMHYLT-UHFFFAOYSA-N 0 0 318.329 3.233 50 5 DGBARN Cc1ccccc1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000000353792 431170676 /nfs/dbraw/zinc/17/06/76/431170676.db2.gz BBHWOMQJUFQLFQ-GDNBJRDFSA-N 0 0 308.293 3.248 50 5 DGBARN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000000434743 431180917 /nfs/dbraw/zinc/18/09/17/431180917.db2.gz WOAAIHJIPFJJJB-UHFFFAOYSA-N 0 0 316.313 3.254 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000000446958 431182398 /nfs/dbraw/zinc/18/23/98/431182398.db2.gz KNUIUEBVOMTHRS-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN CCOC(=O)c1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000000446228 431183757 /nfs/dbraw/zinc/18/37/57/431183757.db2.gz YNZPIABVLUMBMH-UHFFFAOYSA-N 0 0 308.515 3.187 50 5 DGBARN O=[N+]([O-])c1ccc(Nc2ccc(NC3CCOCC3)cc2)nc1 ZINC000069378456 431184293 /nfs/dbraw/zinc/18/42/93/431184293.db2.gz HNFQKQUBVDWXOC-UHFFFAOYSA-N 0 0 314.345 3.324 50 5 DGBARN Cc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000454290 431185929 /nfs/dbraw/zinc/18/59/29/431185929.db2.gz YPCNDQNSDDOHLD-UHFFFAOYSA-N 0 0 315.354 3.030 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1Cc1ccccc1 ZINC000069455416 431189062 /nfs/dbraw/zinc/18/90/62/431189062.db2.gz BFGRFGQIZJYQDP-AWEZNQCLSA-N 0 0 314.341 3.425 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1ccccc1 ZINC000000475701 431191356 /nfs/dbraw/zinc/19/13/56/431191356.db2.gz BJPGMFNKWVKACT-LLVKDONJSA-N 0 0 300.314 3.346 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC=C1N=C(c2ccccc2)OC1=O ZINC000000197956 431145196 /nfs/dbraw/zinc/14/51/96/431145196.db2.gz RFOGIPCSHIVILN-GDNBJRDFSA-N 0 0 323.308 3.160 50 5 DGBARN CCOC(=O)c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000000258325 431157751 /nfs/dbraw/zinc/15/77/51/431157751.db2.gz JCCSKSRGQWZBRE-NSHDSACASA-N 0 0 311.359 3.043 50 5 DGBARN CCOc1cc(C=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000275901 431159634 /nfs/dbraw/zinc/15/96/34/431159634.db2.gz CUSPYDFKIGWQDR-UHFFFAOYSA-N 0 0 301.298 3.385 50 5 DGBARN Cc1cccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000000291875 431160031 /nfs/dbraw/zinc/16/00/31/431160031.db2.gz LYPIQPLNBGJNBK-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN c1ccc2c(c1)nc1nc3c4c5c(sc4ncn3nc2-1)CCC5 ZINC000002581613 431257818 /nfs/dbraw/zinc/25/78/18/431257818.db2.gz OVFKHTBAWFWWTB-UHFFFAOYSA-N 0 0 317.377 3.481 50 5 DGBARN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000002552483 431257839 /nfs/dbraw/zinc/25/78/39/431257839.db2.gz JWZMZNSXIROASA-UHFFFAOYSA-N 0 0 315.251 3.463 50 5 DGBARN O=Cc1ccc(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000000610621 431204869 /nfs/dbraw/zinc/20/48/69/431204869.db2.gz MHFJKGCADGIZDZ-UHFFFAOYSA-N 0 0 317.282 3.202 50 5 DGBARN Cc1cc(C(=O)NCc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000000859304 431209839 /nfs/dbraw/zinc/20/98/39/431209839.db2.gz BCTWZCQNALPCGO-UHFFFAOYSA-N 0 0 304.733 3.487 50 5 DGBARN CCc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000994358 431210739 /nfs/dbraw/zinc/21/07/39/431210739.db2.gz KJTGMSLADSDBTR-UHFFFAOYSA-N 0 0 300.314 3.418 50 5 DGBARN O=C([C@@H]1CCOC1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069700956 431212001 /nfs/dbraw/zinc/21/20/01/431212001.db2.gz JLSNYUBVMZKNOY-LLVKDONJSA-N 0 0 324.764 3.028 50 5 DGBARN O=[N+]([O-])c1cc(Cl)cc(NCn2nnc3ccccc32)c1 ZINC000002565381 431257927 /nfs/dbraw/zinc/25/79/27/431257927.db2.gz UCMIFHUSQUSPPS-UHFFFAOYSA-N 0 0 303.709 3.063 50 5 DGBARN Cc1cccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000001140890 431216954 /nfs/dbraw/zinc/21/69/54/431216954.db2.gz SCPHFLNOTQUUNT-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN Cc1cccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)c1 ZINC000001385544 431223622 /nfs/dbraw/zinc/22/36/22/431223622.db2.gz YCGXSCJWPHSXLX-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN Cc1ccc(Cl)cc1NC(=O)CCCn1cc([N+](=O)[O-])cn1 ZINC000001432133 431227153 /nfs/dbraw/zinc/22/71/53/431227153.db2.gz XDPKQNGGTWCOPU-UHFFFAOYSA-N 0 0 322.752 3.172 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(F)c1 ZINC000001753338 431239534 /nfs/dbraw/zinc/23/95/34/431239534.db2.gz KCYOSCZSZCAJRX-UHFFFAOYSA-N 0 0 305.265 3.387 50 5 DGBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000002081217 431245181 /nfs/dbraw/zinc/24/51/81/431245181.db2.gz RDOMWQDHZUPZIO-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN O=[N+]([O-])c1ccc(Cl)c(NCn2nnc3ccccc32)c1 ZINC000002565382 431256825 /nfs/dbraw/zinc/25/68/25/431256825.db2.gz QCGGEIIGZSVGRW-UHFFFAOYSA-N 0 0 303.709 3.063 50 5 DGBARN COc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002906416 431276736 /nfs/dbraw/zinc/27/67/36/431276736.db2.gz UMYBGMSSAOITHF-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)C1CCCCC1 ZINC000003200471 431287354 /nfs/dbraw/zinc/28/73/54/431287354.db2.gz BPWSYVDLQPACAI-FOCLMDBBSA-N 0 0 319.386 3.156 50 5 DGBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003195062 431288087 /nfs/dbraw/zinc/28/80/87/431288087.db2.gz QTZLJEBTHCKGQY-UHFFFAOYSA-N 0 0 322.660 3.376 50 5 DGBARN O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000005011074 431303204 /nfs/dbraw/zinc/30/32/04/431303204.db2.gz SXZJVZUGVRAYHX-UHFFFAOYSA-N 0 0 312.734 3.049 50 5 DGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000004902905 431305848 /nfs/dbraw/zinc/30/58/48/431305848.db2.gz XHUBXRIZJCFAQX-KBPBESRZSA-N 0 0 312.325 3.346 50 5 DGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1cccnc1 ZINC000007030984 431329746 /nfs/dbraw/zinc/32/97/46/431329746.db2.gz XPTRGFHAWWRWJE-CYBMUJFWSA-N 0 0 313.357 3.142 50 5 DGBARN C[C@H](Oc1cccnc1[N+](=O)[O-])c1nnc(-c2ccccc2)o1 ZINC000007371760 431343475 /nfs/dbraw/zinc/34/34/75/431343475.db2.gz LOJKQEIQBJDQFA-JTQLQIEISA-N 0 0 312.285 3.180 50 5 DGBARN O=C(Nc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000008778627 431413818 /nfs/dbraw/zinc/41/38/18/431413818.db2.gz XEIKDDUUGQQYRN-UHFFFAOYSA-N 0 0 308.297 3.033 50 5 DGBARN O=[N+]([O-])c1cccc(C2N=NC(=S)N2Cc2ccccc2)c1 ZINC000008830278 431414814 /nfs/dbraw/zinc/41/48/14/431414814.db2.gz AQJIGPKXAIINEO-UHFFFAOYSA-N 0 0 312.354 3.190 50 5 DGBARN CC(=O)c1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000009157087 431423658 /nfs/dbraw/zinc/42/36/58/431423658.db2.gz AMXVPZMPXBIAQD-UHFFFAOYSA-N 0 0 303.299 3.299 50 5 DGBARN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCCCC2)cc1OC ZINC000008007400 431373814 /nfs/dbraw/zinc/37/38/14/431373814.db2.gz HQPFILXYWSBBGK-UHFFFAOYSA-N 0 0 322.361 3.065 50 5 DGBARN Cc1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000008097414 431379196 /nfs/dbraw/zinc/37/91/96/431379196.db2.gz BQBFCWMILJCECR-UHFFFAOYSA-N 0 0 312.369 3.413 50 5 DGBARN CSc1cccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)c1 ZINC000008395763 431395522 /nfs/dbraw/zinc/39/55/22/431395522.db2.gz JLAJUQJPDLOZFZ-UHFFFAOYSA-N 0 0 317.370 3.367 50 5 DGBARN Cc1c(C(=O)NCC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000008726492 431408912 /nfs/dbraw/zinc/40/89/12/431408912.db2.gz ABBZIPFWUHMLOG-UHFFFAOYSA-N 0 0 310.353 3.365 50 5 DGBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(C)=O ZINC000008764992 431410964 /nfs/dbraw/zinc/41/09/64/431410964.db2.gz BRURPIJMVPFXOG-UHFFFAOYSA-N 0 0 305.337 3.335 50 5 biogenic DGBARN O=[N+]([O-])c1cc(NCc2nc(-c3cccs3)no2)ccc1F ZINC000008744811 431412130 /nfs/dbraw/zinc/41/21/30/431412130.db2.gz APCRRWDHKASFBI-UHFFFAOYSA-N 0 0 320.305 3.458 50 5 DGBARN O=C(NOCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010318848 431461502 /nfs/dbraw/zinc/46/15/02/431461502.db2.gz VFBPKAGLCLHGOI-UHFFFAOYSA-N 0 0 306.705 3.110 50 5 DGBARN CCONC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012745147 431525180 /nfs/dbraw/zinc/52/51/80/431525180.db2.gz AOZYJOAOHLGZQK-UHFFFAOYSA-N 0 0 301.302 3.020 50 5 DGBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012789724 431529182 /nfs/dbraw/zinc/52/91/82/431529182.db2.gz NTGFVKZGFUBISJ-LLVKDONJSA-N 0 0 302.305 3.154 50 5 DGBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000012541173 431515625 /nfs/dbraw/zinc/51/56/25/431515625.db2.gz RKNSUMZSGQSEFM-UHFFFAOYSA-N 0 0 323.308 3.161 50 5 DGBARN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000013394767 431555186 /nfs/dbraw/zinc/55/51/86/431555186.db2.gz IYYZQBYMUSUVPU-AOOOYVTPSA-N 0 0 320.370 3.059 50 5 DGBARN Cc1c2c(=O)cc(C(F)F)oc2c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001309131 280260007 /nfs/dbraw/zinc/26/00/07/280260007.db2.gz QFDPCJHUNBIJNT-UHFFFAOYSA-N 0 0 314.200 3.164 50 5 DGBARN O=C1COc2ccc(Cl)cc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000019991754 280267837 /nfs/dbraw/zinc/26/78/37/280267837.db2.gz CZVIPFLALAMIOD-UHFFFAOYSA-N 0 0 318.716 3.174 50 5 DGBARN CC(=O)c1ccc(N[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000077238223 431575407 /nfs/dbraw/zinc/57/54/07/431575407.db2.gz KMBJLKUEQHMDHD-OAHLLOKOSA-N 0 0 314.341 3.333 50 5 DGBARN O=[N+]([O-])c1c(F)c(Br)c(F)cc1Br ZINC000263625087 280353584 /nfs/dbraw/zinc/35/35/84/280353584.db2.gz WQCHINDFKJSUNS-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN Cc1oc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2c1C ZINC000020515563 431624625 /nfs/dbraw/zinc/62/46/25/431624625.db2.gz ITRJHFKFCOLRDP-UHFFFAOYSA-N 0 0 309.285 3.063 50 5 DGBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2cn[nH]c21 ZINC000025982546 431668870 /nfs/dbraw/zinc/66/88/70/431668870.db2.gz NNYKHBJORDAJNP-UHFFFAOYSA-N 0 0 324.340 3.133 50 5 DGBARN O=C(Nc1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031206208 431755260 /nfs/dbraw/zinc/75/52/60/431755260.db2.gz FNBZITBQPBEZLZ-UHFFFAOYSA-N 0 0 308.297 3.033 50 5 DGBARN O=C(CCOc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000031549542 431760946 /nfs/dbraw/zinc/76/09/46/431760946.db2.gz VGQIBHDCNMYJSU-UHFFFAOYSA-N 0 0 304.277 3.142 50 5 DGBARN COc1cccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000031553669 431761326 /nfs/dbraw/zinc/76/13/26/431761326.db2.gz ARFGPKWIWMQSIY-UHFFFAOYSA-N 0 0 316.313 3.011 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 ZINC000032814559 431794407 /nfs/dbraw/zinc/79/44/07/431794407.db2.gz UGQXZAYHERTEHS-CQSZACIVSA-N 0 0 313.313 3.240 50 5 DGBARN CN(Cc1cccs1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033527605 431814401 /nfs/dbraw/zinc/81/44/01/431814401.db2.gz VDAHEMUQSNIEPG-HJWRWDBZSA-N 0 0 302.355 3.328 50 5 DGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH]c2ccccc12 ZINC000048309094 431922661 /nfs/dbraw/zinc/92/26/61/431922661.db2.gz FWWNNMUVTFXRNS-UHFFFAOYSA-N 0 0 323.352 3.277 50 5 DGBARN O=[N+]([O-])c1ccccc1OCCSc1nccn1C1CC1 ZINC000048375151 431925166 /nfs/dbraw/zinc/92/51/66/431925166.db2.gz MMINIDYEJDBWHT-UHFFFAOYSA-N 0 0 305.359 3.297 50 5 DGBARN NC(=O)c1cccc(CSCc2cccc([N+](=O)[O-])c2)c1 ZINC000089774463 431878712 /nfs/dbraw/zinc/87/87/12/431878712.db2.gz CIRGFBWLDNVVHK-UHFFFAOYSA-N 0 0 302.355 3.127 50 5 DGBARN COc1cc(CN2CCCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000095456985 431926662 /nfs/dbraw/zinc/92/66/62/431926662.db2.gz LESFWVBGKIRPRG-UHFFFAOYSA-N 0 0 314.341 3.262 50 5 DGBARN CCc1nnc([C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000095978775 431930411 /nfs/dbraw/zinc/93/04/11/431930411.db2.gz AQRICYNSLKEAJP-SECBINFHSA-N 0 0 324.768 3.387 50 5 DGBARN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000050037533 431945828 /nfs/dbraw/zinc/94/58/28/431945828.db2.gz PSRHRIHZEQTNKR-ZETCQYMHSA-N 0 0 312.297 3.426 50 5 DGBARN CCCC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050497490 431948032 /nfs/dbraw/zinc/94/80/32/431948032.db2.gz CBULKMGXPVPBBC-UHFFFAOYSA-N 0 0 316.361 3.089 50 5 DGBARN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000096432321 431948726 /nfs/dbraw/zinc/94/87/26/431948726.db2.gz YQNRSRJSPFFHEG-NEPJUHHUSA-N 0 0 308.403 3.341 50 5 DGBARN O=[N+]([O-])c1c(SC[C@H](O)c2ccccc2)nc2ccccn21 ZINC000052427102 431955394 /nfs/dbraw/zinc/95/53/94/431955394.db2.gz VPVNGQLSIICYOJ-LBPRGKRZSA-N 0 0 315.354 3.068 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nccs1 ZINC000097103733 431960868 /nfs/dbraw/zinc/96/08/68/431960868.db2.gz UTQWELZNBCVGGT-SECBINFHSA-N 0 0 306.347 3.242 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000000314643 281018993 /nfs/dbraw/zinc/01/89/93/281018993.db2.gz ORCJPLLVWQKHSN-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN Cc1cccc(C)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032722040 281210769 /nfs/dbraw/zinc/21/07/69/281210769.db2.gz DDGKQNZWLNZLRB-UHFFFAOYSA-N 0 0 314.297 3.193 50 5 DGBARN Cn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000058104715 431994530 /nfs/dbraw/zinc/99/45/30/431994530.db2.gz MOXPOTDUQZZSJL-UHFFFAOYSA-N 0 0 302.337 3.374 50 5 DGBARN O=C(Cc1nc2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000102875151 431999172 /nfs/dbraw/zinc/99/91/72/431999172.db2.gz YJDDCKDPBIBXON-ZROIWOOFSA-N 0 0 310.265 3.152 50 5 DGBARN COCc1ccc([C@H]2CCCN2c2cc(N)ccc2[N+](=O)[O-])o1 ZINC000193502222 432478416 /nfs/dbraw/zinc/47/84/16/432478416.db2.gz QYIOISYLIJZJBP-CQSZACIVSA-N 0 0 317.345 3.258 50 5 DGBARN CC[C@@H](C)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000277507350 432856744 /nfs/dbraw/zinc/85/67/44/432856744.db2.gz FICAXYMAMXVBOU-RDDDGLTNSA-N 0 0 322.258 3.441 50 5 DGBARN Cc1nc2ccc(Cl)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000000281746 293462353 /nfs/dbraw/zinc/46/23/53/293462353.db2.gz DXMXUMKRRNPAFD-UHFFFAOYSA-N 0 0 315.716 3.256 50 5 DGBARN CSc1ncc2snc(-c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000575362713 435031822 /nfs/dbraw/zinc/03/18/22/435031822.db2.gz SMQAOZZNJSFAQG-UHFFFAOYSA-N 0 0 304.356 3.383 50 5 DGBARN Cc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000006524702 301957719 /nfs/dbraw/zinc/95/77/19/301957719.db2.gz NOGWWGADKQWFQA-UHFFFAOYSA-N 0 0 317.370 3.491 50 5 DGBARN CC(=O)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005540791 331491845 /nfs/dbraw/zinc/49/18/45/331491845.db2.gz INSDWIKPOANFPW-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN Cc1nc(NCc2nccn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000192758369 534493977 /nfs/dbraw/zinc/49/39/77/534493977.db2.gz CEVDMTNTNMWAEJ-UHFFFAOYSA-N 0 0 309.329 3.096 50 5 DGBARN O=[N+]([O-])c1ccc(CN2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000002854321 629983828 /nfs/dbraw/zinc/98/38/28/629983828.db2.gz MVZNQHIPNLJDGK-UHFFFAOYSA-N 0 0 313.313 3.456 50 5 DGBARN Cc1nc(/C=C\C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000097044084 657589797 /nfs/dbraw/zinc/58/97/97/657589797.db2.gz HFZFXMZJMRYPBI-FPLPWBNLSA-N 0 0 317.370 3.032 50 5 DGBARN CCO[P@](=O)(c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000301690 658374047 /nfs/dbraw/zinc/37/40/47/658374047.db2.gz VMRMFIBBRJFFHN-OYHNWAKOSA-N 0 0 321.269 3.226 50 5 DGBARN Cc1cc(N[C@H](C)c2cc3n(n2)CCCC3)ncc1[N+](=O)[O-] ZINC000952964674 662208919 /nfs/dbraw/zinc/20/89/19/662208919.db2.gz VOUWSIMLCRMLFN-LLVKDONJSA-N 0 0 301.350 3.004 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCc2nccs2)c1 ZINC000095401860 185354501 /nfs/dbraw/zinc/35/45/01/185354501.db2.gz LFVITPUYYVRTTN-UHFFFAOYSA-N 0 0 319.386 3.112 50 5 DGBARN O=c1ccn(CCOc2ccccc2[N+](=O)[O-])c2ccsc21 ZINC000095401362 185354742 /nfs/dbraw/zinc/35/47/42/185354742.db2.gz WIPOOIZEEQECSY-UHFFFAOYSA-N 0 0 316.338 3.050 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ncc(Cl)cn1 ZINC000095406783 185355852 /nfs/dbraw/zinc/35/58/52/185355852.db2.gz WSWMFALFAKPFOA-MRVPVSSYSA-N 0 0 308.725 3.220 50 5 DGBARN O=[N+]([O-])c1ccc(Oc2nnc(Br)s2)cc1 ZINC000072190666 191073797 /nfs/dbraw/zinc/07/37/97/191073797.db2.gz YRRWEDGNTPKQRI-UHFFFAOYSA-N 0 0 302.109 3.001 50 5 DGBARN O=[N+]([O-])c1cc(F)ccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000072313850 191120661 /nfs/dbraw/zinc/12/06/61/191120661.db2.gz JWIXFOGXRIRQBA-UHFFFAOYSA-N 0 0 318.283 3.404 50 5 DGBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000354585 180765392 /nfs/dbraw/zinc/76/53/92/180765392.db2.gz UWGHNEYAYUPSJP-LCYFTJDESA-N 0 0 312.256 3.078 50 5 DGBARN COc1ccccc1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471628 180801371 /nfs/dbraw/zinc/80/13/71/180801371.db2.gz XUTZHTXPNSSXGY-GFCCVEGCSA-N 0 0 314.341 3.023 50 5 DGBARN COc1cc([C@H](O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000000502252 180808766 /nfs/dbraw/zinc/80/87/66/180808766.db2.gz DGJOAVNJIBQHJF-OAHLLOKOSA-N 0 0 323.732 3.347 50 5 DGBARN O=C1[C@@H](Sc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067428327 432030602 /nfs/dbraw/zinc/03/06/02/432030602.db2.gz MXXDXCNXQVKHSX-HNNXBMFYSA-N 0 0 314.366 3.492 50 5 DGBARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000570304 180823940 /nfs/dbraw/zinc/82/39/40/180823940.db2.gz YYWJVFPYUGBZNV-UHFFFAOYSA-N 0 0 311.341 3.447 50 5 DGBARN Cc1occc1-c1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000002081324 180909684 /nfs/dbraw/zinc/90/96/84/180909684.db2.gz DBQYQLSCEONNNI-UHFFFAOYSA-N 0 0 316.229 3.121 50 5 DGBARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1[N+](=O)[O-] ZINC000002299462 180918291 /nfs/dbraw/zinc/91/82/91/180918291.db2.gz UWGHNEYAYUPSJP-UKTHLTGXSA-N 0 0 312.256 3.078 50 5 DGBARN COc1cc(C(C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000002628440 180941031 /nfs/dbraw/zinc/94/10/31/180941031.db2.gz KRBPDTNOSXTVPH-UHFFFAOYSA-N 0 0 301.298 3.385 50 5 DGBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F ZINC000003414125 181016809 /nfs/dbraw/zinc/01/68/09/181016809.db2.gz SZDSYSVHFSUIFJ-UHFFFAOYSA-N 0 0 318.280 3.034 50 5 DGBARN CSc1ccc(C(=O)OCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000003448384 181021390 /nfs/dbraw/zinc/02/13/90/181021390.db2.gz GEQMINILJHSOGC-UHFFFAOYSA-N 0 0 322.342 3.279 50 5 DGBARN O=[N+]([O-])c1ccc(CSc2nncn2-c2ccccc2)cc1 ZINC000003543040 181032139 /nfs/dbraw/zinc/03/21/39/181032139.db2.gz DAKGTRDCTPCTKJ-UHFFFAOYSA-N 0 0 312.354 3.468 50 5 DGBARN Cc1cc(=O)oc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC000003558446 181034667 /nfs/dbraw/zinc/03/46/67/181034667.db2.gz LITRRDGKMHGLHZ-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN CC(C)Sc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000004086607 181071305 /nfs/dbraw/zinc/07/13/05/181071305.db2.gz BREWJRGGSZOYTC-UHFFFAOYSA-N 0 0 324.387 3.199 50 5 DGBARN CCc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004056356 181067485 /nfs/dbraw/zinc/06/74/85/181067485.db2.gz CTTHXFVKCKCREK-UHFFFAOYSA-N 0 0 300.314 3.175 50 5 DGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000004175748 181081706 /nfs/dbraw/zinc/08/17/06/181081706.db2.gz RBVKXRSRDUYZNN-SNVBAGLBSA-N 0 0 302.252 3.009 50 5 DGBARN COc1ccc(NC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1 ZINC000004652590 181132247 /nfs/dbraw/zinc/13/22/47/181132247.db2.gz IUABQHVNYFMROY-FNORWQNLSA-N 0 0 304.327 3.317 50 5 DGBARN Cc1ccccc1C1=N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000004696545 181138653 /nfs/dbraw/zinc/13/86/53/181138653.db2.gz ZQYJYNAFTMBJSQ-GDNBJRDFSA-N 0 0 308.293 3.248 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)Nc2ccccc21 ZINC000004801182 181153078 /nfs/dbraw/zinc/15/30/78/181153078.db2.gz WJQQSSDBPBFQKH-XFXZXTDPSA-N 0 0 311.297 3.009 50 5 DGBARN COc1cccc(-c2noc(Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000004839247 181160798 /nfs/dbraw/zinc/16/07/98/181160798.db2.gz WTSQSCGCBUFJAE-UHFFFAOYSA-N 0 0 311.297 3.244 50 5 DGBARN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000004844685 181161916 /nfs/dbraw/zinc/16/19/16/181161916.db2.gz WFEYYUXHLFZMHC-UHFFFAOYSA-N 0 0 320.370 3.321 50 5 DGBARN O=C(Oc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004846119 181162536 /nfs/dbraw/zinc/16/25/36/181162536.db2.gz LJMFWVYQIBGKHI-UHFFFAOYSA-N 0 0 312.325 3.414 50 5 DGBARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000004905293 181170832 /nfs/dbraw/zinc/17/08/32/181170832.db2.gz DMKYSRNUHFEHKW-ZIAGYGMSSA-N 0 0 312.325 3.346 50 5 DGBARN CC(=O)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000004868847 181166284 /nfs/dbraw/zinc/16/62/84/181166284.db2.gz OVNNZCHDEPERQB-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(C)cc1 ZINC000004952757 181179105 /nfs/dbraw/zinc/17/91/05/181179105.db2.gz WQARQVMQDJOISN-UHFFFAOYSA-N 0 0 300.314 3.093 50 5 DGBARN COc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000004975953 181183186 /nfs/dbraw/zinc/18/31/86/181183186.db2.gz YOSXCTPREBAQTP-UHFFFAOYSA-N 0 0 305.261 3.004 50 5 DGBARN COc1ccccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004995326 181187395 /nfs/dbraw/zinc/18/73/95/181187395.db2.gz CAXMVQQULDWQKQ-UHFFFAOYSA-N 0 0 312.281 3.453 50 5 DGBARN COc1nc(F)c(F)c(Oc2ccccc2[N+](=O)[O-])c1F ZINC000005024161 181192300 /nfs/dbraw/zinc/19/23/00/181192300.db2.gz PQHBHMKBJNKMGQ-UHFFFAOYSA-N 0 0 300.192 3.208 50 5 DGBARN O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000005049434 181196833 /nfs/dbraw/zinc/19/68/33/181196833.db2.gz NQAUEVLNMFXMSV-UHFFFAOYSA-N 0 0 311.341 3.447 50 5 DGBARN CCCO[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000078671102 191907858 /nfs/dbraw/zinc/90/78/58/191907858.db2.gz CHNWLSRCBUMYIY-HNNXBMFYSA-N 0 0 306.362 3.016 50 5 DGBARN Cc1ccccc1Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000005400579 181239747 /nfs/dbraw/zinc/23/97/47/181239747.db2.gz ILOIKCBXTWBNJS-UHFFFAOYSA-N 0 0 321.336 3.175 50 5 DGBARN CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000005283595 181226689 /nfs/dbraw/zinc/22/66/89/181226689.db2.gz JMGAVNHGBJHONY-UHFFFAOYSA-N 0 0 317.257 3.254 50 5 DGBARN O=C(Oc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005584181 181260606 /nfs/dbraw/zinc/26/06/06/181260606.db2.gz JEZMNYHRVHWFFU-UHFFFAOYSA-N 0 0 322.660 3.376 50 5 DGBARN Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000005598847 181262505 /nfs/dbraw/zinc/26/25/05/181262505.db2.gz JETWRXGTOKVBME-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN O=C(NCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000005630762 181266137 /nfs/dbraw/zinc/26/61/37/181266137.db2.gz JXEOBZYJPNBNBI-UHFFFAOYSA-N 0 0 308.696 3.317 50 5 DGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F ZINC000005688094 181272875 /nfs/dbraw/zinc/27/28/75/181272875.db2.gz SIUDXRTVRFYZAI-UHFFFAOYSA-N 0 0 324.695 3.405 50 5 DGBARN O=c1sc2ccccc2n1COc1ccc([N+](=O)[O-])cc1 ZINC000005740044 181279425 /nfs/dbraw/zinc/27/94/25/181279425.db2.gz JTEPFVHGMSPAIJ-UHFFFAOYSA-N 0 0 302.311 3.008 50 5 DGBARN O=Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000169725293 432071415 /nfs/dbraw/zinc/07/14/15/432071415.db2.gz ILOXTTPMYQEZJZ-UHFFFAOYSA-N 0 0 317.141 3.279 50 5 DGBARN CCO[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000170637129 432074410 /nfs/dbraw/zinc/07/44/10/432074410.db2.gz KZZLWUOGZRVWMP-NEPJUHHUSA-N 0 0 313.785 3.283 50 5 DGBARN COC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189798693 432091033 /nfs/dbraw/zinc/09/10/33/432091033.db2.gz AISCILCWIZWEDA-CYBMUJFWSA-N 0 0 320.389 3.217 50 5 DGBARN Cc1cc(NC(=O)CN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C ZINC000006049294 181308393 /nfs/dbraw/zinc/30/83/93/181308393.db2.gz FEROKPWCSKMTRU-ZDUSSCGKSA-N 0 0 305.378 3.025 50 5 DGBARN O=[N+]([O-])c1cc(COc2ccccc2F)c2c(c1)COCO2 ZINC000006128385 181315609 /nfs/dbraw/zinc/31/56/09/181315609.db2.gz LNHAYWUFMQHISK-UHFFFAOYSA-N 0 0 305.261 3.179 50 5 DGBARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000006628345 181363220 /nfs/dbraw/zinc/36/32/20/181363220.db2.gz JCLFNEYSHYJDHJ-UHFFFAOYSA-N 0 0 314.297 3.008 50 5 DGBARN Cc1ccc(C(=O)c2nccn2-c2ccccc2[N+](=O)[O-])cc1 ZINC000006659414 181366891 /nfs/dbraw/zinc/36/68/91/181366891.db2.gz XWEGVWMAHOXWRY-UHFFFAOYSA-N 0 0 307.309 3.320 50 5 DGBARN COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000007413815 181463565 /nfs/dbraw/zinc/46/35/65/181463565.db2.gz BSJQQQLFTWKALL-UHFFFAOYSA-N 0 0 305.261 3.100 50 5 DGBARN C[C@H](c1cccnc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000093234946 193219680 /nfs/dbraw/zinc/21/96/80/193219680.db2.gz ZCRSXCVAVMLPCI-LLVKDONJSA-N 0 0 312.329 3.324 50 5 DGBARN O=[N+]([O-])c1cc(Br)cnc1Sc1ccncc1 ZINC000094614646 193384611 /nfs/dbraw/zinc/38/46/11/193384611.db2.gz XFEMGRYSBYONGW-UHFFFAOYSA-N 0 0 312.148 3.299 50 5 DGBARN O=[N+]([O-])c1ccc(OC[C@H](O)c2ccccc2)c2ncccc12 ZINC000095438992 193444222 /nfs/dbraw/zinc/44/42/22/193444222.db2.gz DCYWZMRVDQHMTB-HNNXBMFYSA-N 0 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50 5 DGBARN O=[N+]([O-])c1cccc(OCc2nc(-c3ccsc3)no2)c1 ZINC000025399522 431655130 /nfs/dbraw/zinc/65/51/30/431655130.db2.gz MFCIKFXUELSICS-UHFFFAOYSA-N 0 0 303.299 3.285 50 5 DGBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000078569544 431683503 /nfs/dbraw/zinc/68/35/03/431683503.db2.gz LEVZXVHFQVPXEH-LBPRGKRZSA-N 0 0 309.329 3.349 50 5 DGBARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000031536899 431758487 /nfs/dbraw/zinc/75/84/87/431758487.db2.gz ZJOGVGSSNSEXTF-UHFFFAOYSA-N 0 0 308.297 3.237 50 5 DGBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F ZINC000031662328 431761815 /nfs/dbraw/zinc/76/18/15/431761815.db2.gz RWSFTLFPTDCNHK-UHFFFAOYSA-N 0 0 303.293 3.398 50 5 DGBARN CCCOc1ccc(CNc2ncccc2[N+](=O)[O-])cc1OC ZINC000032827759 431797308 /nfs/dbraw/zinc/79/73/08/431797308.db2.gz NODDTBSWASHDAY-UHFFFAOYSA-N 0 0 317.345 3.399 50 5 DGBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000033191545 431810123 /nfs/dbraw/zinc/81/01/23/431810123.db2.gz 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Cc1cccc(C[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000100559542 431982047 /nfs/dbraw/zinc/98/20/47/431982047.db2.gz MAOSYJABPKCGCG-AWEZNQCLSA-N 0 0 324.336 3.025 50 5 DGBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000153049431 432379969 /nfs/dbraw/zinc/37/99/69/432379969.db2.gz IIXWDLSPGDZYLR-UHFFFAOYSA-N 0 0 309.322 3.166 50 5 DGBARN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000253431580 432397924 /nfs/dbraw/zinc/39/79/24/432397924.db2.gz HPSSOCINMWIBLO-FPQVQZPGSA-N 0 0 314.382 3.226 50 5 DGBARN COc1cccc(N2CCC[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000185305370 432488685 /nfs/dbraw/zinc/48/86/85/432488685.db2.gz RPVYZDJAXKGWNT-NSHDSACASA-N 0 0 319.386 3.444 50 5 DGBARN Cc1cccc(N2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000225460255 432691777 /nfs/dbraw/zinc/69/17/77/432691777.db2.gz QQHGVMSCZWXECT-UHFFFAOYSA-N 0 0 308.403 3.006 50 5 DGBARN O=[N+]([O-])c1cnc(NCc2ccc3c(c2)COC3)c(Cl)c1 ZINC000241132977 432815408 /nfs/dbraw/zinc/81/54/08/432815408.db2.gz 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501082426 /nfs/dbraw/zinc/08/24/26/501082426.db2.gz VEHBGKSEGKRUMK-UHFFFAOYSA-N 0 0 303.709 3.063 50 5 DGBARN NC(=O)c1coc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000083015923 545775266 /nfs/dbraw/zinc/77/52/66/545775266.db2.gz CHDJEVKELOQKOD-UHFFFAOYSA-N 0 0 315.310 3.077 50 5 DGBARN O=[N+]([O-])c1c(N[C@H]2CCc3ccccc3C2)nc2ccccn21 ZINC000084581798 545791297 /nfs/dbraw/zinc/79/12/97/545791297.db2.gz KFZDBLJQIAROIE-AWEZNQCLSA-N 0 0 308.341 3.212 50 5 DGBARN C[C@@H]1CCCC[C@@H]1OCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000084692100 545793407 /nfs/dbraw/zinc/79/34/07/545793407.db2.gz NZIWLIPPVQTWBB-OLZOCXBDSA-N 0 0 318.377 3.250 50 5 DGBARN C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000096911862 657566759 /nfs/dbraw/zinc/56/67/59/657566759.db2.gz CYAQBQIOVXPXIO-ZVTBTPLYSA-N 0 0 300.314 3.121 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cccn1C ZINC000079355358 185166442 /nfs/dbraw/zinc/16/64/42/185166442.db2.gz YTTKDOJFCIMNIG-MRXNPFEDSA-N 0 0 313.357 3.219 50 5 DGBARN C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000063282788 432005310 /nfs/dbraw/zinc/00/53/10/432005310.db2.gz OSPIHKAPDXAHFU-GFCCVEGCSA-N 0 0 317.389 3.113 50 5 DGBARN CCN(CC)C(=O)CSc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092687932 185333527 /nfs/dbraw/zinc/33/35/27/185333527.db2.gz FLRVUSKECCOEJX-UHFFFAOYSA-N 0 0 319.386 3.104 50 5 DGBARN CCn1c(/C=C\c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O ZINC000033248348 190661038 /nfs/dbraw/zinc/66/10/38/190661038.db2.gz GICUDSHECYQJKN-CLFYSBASSA-N 0 0 311.297 3.088 50 5 DGBARN O=[N+]([O-])c1cccc(Oc2nnc(Br)s2)c1 ZINC000072190668 191073270 /nfs/dbraw/zinc/07/32/70/191073270.db2.gz KFBGPQSOZCOQGY-UHFFFAOYSA-N 0 0 302.109 3.001 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C)o1 ZINC000000106396 180695035 /nfs/dbraw/zinc/69/50/35/180695035.db2.gz HAYCODFHXNYISB-SOFGYWHQSA-N 0 0 302.286 3.157 50 5 DGBARN CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000376600 180771346 /nfs/dbraw/zinc/77/13/46/180771346.db2.gz POCJMMSJBXZOKD-RYUDHWBXSA-N 0 0 314.407 3.183 50 5 DGBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(O)cc1 ZINC000000423814 180785287 /nfs/dbraw/zinc/78/52/87/180785287.db2.gz PXSNAKLGEOSNHV-HNNXBMFYSA-N 0 0 316.338 3.079 50 5 DGBARN COc1cc(C)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000002991064 180974779 /nfs/dbraw/zinc/97/47/79/180974779.db2.gz PZAYLAZRKHGTCX-UHFFFAOYSA-N 0 0 303.314 3.370 50 5 DGBARN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000003333423 181006559 /nfs/dbraw/zinc/00/65/59/181006559.db2.gz DTZSAHGJJCNDQK-VIFPVBQESA-N 0 0 321.720 3.049 50 5 DGBARN CCCn1c(C)cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C ZINC000003532707 181030280 /nfs/dbraw/zinc/03/02/80/181030280.db2.gz HGKXDNNAOPFWJN-UHFFFAOYSA-N 0 0 318.377 3.119 50 5 DGBARN O=C(CSc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003604054 181039441 /nfs/dbraw/zinc/03/94/41/181039441.db2.gz OVTFEBDMRYJNKE-UHFFFAOYSA-N 0 0 306.318 3.465 50 5 DGBARN O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1Cl ZINC000003882691 181052328 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O=C(CCNc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004455837 181110914 /nfs/dbraw/zinc/11/09/14/181110914.db2.gz ZRBMKFATBFLUMQ-UHFFFAOYSA-N 0 0 315.285 3.188 50 5 DGBARN Cc1nn([C@H](C)C(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000004568441 181125305 /nfs/dbraw/zinc/12/53/05/181125305.db2.gz OODFVHIHMVBGKN-SNVBAGLBSA-N 0 0 322.752 3.261 50 5 DGBARN Cc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004588639 181128212 /nfs/dbraw/zinc/12/82/12/181128212.db2.gz CUPJSKGDBPCLEG-GDNBJRDFSA-N 0 0 308.293 3.248 50 5 DGBARN Cc1nn(CCCC(=O)NC2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000004593344 181128231 /nfs/dbraw/zinc/12/82/31/181128231.db2.gz OOYGSOVCRQXCQX-UHFFFAOYSA-N 0 0 322.409 3.027 50 5 DGBARN CCOc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC000004660923 181133679 /nfs/dbraw/zinc/13/36/79/181133679.db2.gz IOCOWPVADGSBJQ-UHFFFAOYSA-N 0 0 316.313 3.011 50 5 DGBARN CCn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000004764653 181149493 /nfs/dbraw/zinc/14/94/93/181149493.db2.gz 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O=[N+]([O-])c1cccnc1SCc1noc(-c2cccs2)n1 ZINC000048302561 183641422 /nfs/dbraw/zinc/64/14/22/183641422.db2.gz PTOFXQOQFNMVQD-UHFFFAOYSA-N 0 0 320.355 3.394 50 5 DGBARN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H](c2ccsc2)O1 ZINC000110681991 194348757 /nfs/dbraw/zinc/34/87/57/194348757.db2.gz WCIKHYPZXCCYBH-GWCFXTLKSA-N 0 0 305.359 3.018 50 5 DGBARN Cc1ccc(N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000060352076 184146568 /nfs/dbraw/zinc/14/65/68/184146568.db2.gz KDSZLYKDCKPALJ-UHFFFAOYSA-N 0 0 318.304 3.084 50 5 DGBARN O=C1N[C@@H](c2csc([N+](=O)[O-])c2)Nc2cc(Cl)ccc21 ZINC000048619429 284915495 /nfs/dbraw/zinc/91/54/95/284915495.db2.gz MVOMIQXLYQUAGO-NSHDSACASA-N 0 0 309.734 3.164 50 5 DGBARN O=C(Nc1cc(F)cc(N2CCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000069389524 184511781 /nfs/dbraw/zinc/51/17/81/184511781.db2.gz LVCKUZCMICJTNL-UHFFFAOYSA-N 0 0 319.292 3.179 50 5 DGBARN O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl ZINC000095850914 285075948 /nfs/dbraw/zinc/07/59/48/285075948.db2.gz 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431157546 /nfs/dbraw/zinc/15/75/46/431157546.db2.gz XYFDZFKZAKZZKV-UHFFFAOYSA-N 0 0 316.744 3.447 50 5 DGBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000000613174 431205724 /nfs/dbraw/zinc/20/57/24/431205724.db2.gz OBNWWZWTUVVLIB-UHFFFAOYSA-N 0 0 312.753 3.030 50 5 DGBARN O=C(Nc1cccc(Cn2cccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000001055118 431214719 /nfs/dbraw/zinc/21/47/19/431214719.db2.gz AOHTYKLLOCXLHV-UHFFFAOYSA-N 0 0 322.324 3.092 50 5 DGBARN O=C(Nc1ccc(F)cc1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000001753725 431238331 /nfs/dbraw/zinc/23/83/31/431238331.db2.gz UKTZQKOLUAZBCA-UHFFFAOYSA-N 0 0 320.276 3.361 50 5 DGBARN O=C(NCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000001753504 431238972 /nfs/dbraw/zinc/23/89/72/431238972.db2.gz ILBBQXWMUXHBCP-UHFFFAOYSA-N 0 0 303.293 3.098 50 5 DGBARN COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000001753525 431239780 /nfs/dbraw/zinc/23/97/80/431239780.db2.gz AGCKBNLNGCOIGR-UHFFFAOYSA-N 0 0 305.265 3.387 50 5 DGBARN COc1ccccc1OCCCOc1ccccc1[N+](=O)[O-] ZINC000002906232 431276175 /nfs/dbraw/zinc/27/61/75/431276175.db2.gz LYTNNEWVARNPER-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN COc1ccccc1Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002955139 431277540 /nfs/dbraw/zinc/27/75/40/431277540.db2.gz OZLYAIZKCVVAKK-UHFFFAOYSA-N 0 0 311.297 3.244 50 5 DGBARN CCOc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002986852 431278215 /nfs/dbraw/zinc/27/82/15/431278215.db2.gz AJHMLFLAAIALDO-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN CCCOC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000002980229 431279043 /nfs/dbraw/zinc/27/90/43/431279043.db2.gz LIPNZFZNCMZJHB-UHFFFAOYSA-N 0 0 312.321 3.278 50 5 DGBARN O=C(CSc1ccsc1[N+](=O)[O-])NCc1ccccc1 ZINC000003030387 431282606 /nfs/dbraw/zinc/28/26/06/431282606.db2.gz VBRRPFZYLWXVKY-UHFFFAOYSA-N 0 0 308.384 3.065 50 5 DGBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000003149740 431284587 /nfs/dbraw/zinc/28/45/87/431284587.db2.gz HTRKAMZTCYZOBO-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN Cc1cc(C(=O)OCC(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000003217690 431286983 /nfs/dbraw/zinc/28/69/83/431286983.db2.gz RXTNZEIOYHYNBG-UHFFFAOYSA-N 0 0 305.311 3.004 50 5 DGBARN CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004981247 431303348 /nfs/dbraw/zinc/30/33/48/431303348.db2.gz CIKLPZZOYFLLRA-UHFFFAOYSA-N 0 0 303.406 3.296 50 5 DGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 ZINC000002726358 431264320 /nfs/dbraw/zinc/26/43/20/431264320.db2.gz MYHQZNFODPMDEN-UHFFFAOYSA-N 0 0 306.318 3.465 50 5 DGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2ncccc21 ZINC000002865859 431272977 /nfs/dbraw/zinc/27/29/77/431272977.db2.gz NVAFMPNWEXPVTP-UHFFFAOYSA-N 0 0 323.308 3.161 50 5 DGBARN Cc1cc(C)cc(OCCOc2ccc(C)nc2[N+](=O)[O-])c1 ZINC000006985507 431328170 /nfs/dbraw/zinc/32/81/70/431328170.db2.gz RPUFFNUPFHXTBJ-UHFFFAOYSA-N 0 0 302.330 3.373 50 5 DGBARN CCCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009155483 431423446 /nfs/dbraw/zinc/42/34/46/431423446.db2.gz SUEDNGPIXBWVFA-UHFFFAOYSA-N 0 0 319.405 3.118 50 5 DGBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C/C=C/c1ccccc1 ZINC000009154887 431424509 /nfs/dbraw/zinc/42/45/09/431424509.db2.gz LMBXKNPSHSIZRL-QPJJXVBHSA-N 0 0 307.309 3.018 50 5 DGBARN Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000008175031 431385000 /nfs/dbraw/zinc/38/50/00/431385000.db2.gz DTZBRASVBVYRBB-UHFFFAOYSA-N 0 0 313.357 3.054 50 5 DGBARN COC(=O)c1cccc(CNc2cc([N+](=O)[O-])ccc2C)c1 ZINC000010037733 431452597 /nfs/dbraw/zinc/45/25/97/431452597.db2.gz MPNDKIFUXRLAMX-UHFFFAOYSA-N 0 0 300.314 3.302 50 5 DGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2sccc2C1 ZINC000012781088 431529069 /nfs/dbraw/zinc/52/90/69/431529069.db2.gz MVDJXJUYRKATPC-UHFFFAOYSA-N 0 0 318.354 3.006 50 5 DGBARN CC1(C)C(=O)O[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000012384114 431505760 /nfs/dbraw/zinc/50/57/60/431505760.db2.gz FFGXYKSRDSNOTB-YXVBKTCISA-N 0 0 317.341 3.155 50 5 DGBARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000013137698 431547063 /nfs/dbraw/zinc/54/70/63/431547063.db2.gz NLANKNXPCBGJMU-UHFFFAOYSA-N 0 0 314.297 3.008 50 5 DGBARN O=C(Nc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000006526289 280057042 /nfs/dbraw/zinc/05/70/42/280057042.db2.gz RTHUGHRCGFKOIU-UHFFFAOYSA-N 0 0 323.761 3.446 50 5 DGBARN O=C(c1ccncc1Cl)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000095436683 280221250 /nfs/dbraw/zinc/22/12/50/280221250.db2.gz VHHWKCYALZTJHM-UHFFFAOYSA-N 0 0 317.732 3.236 50 5 DGBARN O=[N+]([O-])c1c(Br)cc(F)c(F)c1Br ZINC000263623818 280353166 /nfs/dbraw/zinc/35/31/66/280353166.db2.gz KZBKQLHBFMVLHC-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN O=[N+]([O-])c1c(Br)c(F)cc(F)c1Br ZINC000199601493 280353291 /nfs/dbraw/zinc/35/32/91/280353291.db2.gz FHUKPGATLLJKLN-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN O=[N+]([O-])c1cccnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000014307372 280376378 /nfs/dbraw/zinc/37/63/78/280376378.db2.gz SZPMYRQGHFKRQB-UHFFFAOYSA-N 0 0 323.356 3.250 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1 ZINC000014307455 431591449 /nfs/dbraw/zinc/59/14/49/431591449.db2.gz NZRILRFZZYHFRI-UHFFFAOYSA-N 0 0 323.356 3.250 50 5 DGBARN O=[N+]([O-])c1cccc(OCc2nc(-c3cccs3)no2)c1 ZINC000025393970 431654214 /nfs/dbraw/zinc/65/42/14/431654214.db2.gz XRNSXJGGVOTHEN-UHFFFAOYSA-N 0 0 303.299 3.285 50 5 DGBARN Cc1cc(O)ccc1NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000017030923 431616500 /nfs/dbraw/zinc/61/65/00/431616500.db2.gz RUPPZXWDHSMXER-UHFFFAOYSA-N 0 0 303.343 3.418 50 5 DGBARN COc1ccccc1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000019925048 431622248 /nfs/dbraw/zinc/62/22/48/431622248.db2.gz KQHHPRLLPPKMLV-UHFFFAOYSA-N 0 0 313.357 3.382 50 5 DGBARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000025106154 431648999 /nfs/dbraw/zinc/64/89/99/431648999.db2.gz HGEQRSXMBJKEPK-JTQLQIEISA-N 0 0 304.302 3.030 50 5 DGBARN CCS(=O)(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000078507356 431678186 /nfs/dbraw/zinc/67/81/86/431678186.db2.gz NLHJBUSZLUKLOV-UHFFFAOYSA-N 0 0 320.370 3.001 50 5 DGBARN CSc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000027168422 431683896 /nfs/dbraw/zinc/68/38/96/431683896.db2.gz UIDVNSMMBICEPO-VIFPVBQESA-N 0 0 306.343 3.401 50 5 DGBARN C[C@H]1c2cccn2CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000030266696 431737098 /nfs/dbraw/zinc/73/70/98/431737098.db2.gz KSUIHJGJIKYBNW-GWJCSSMESA-N 0 0 311.341 3.013 50 5 DGBARN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCc2ccccc21 ZINC000030978281 431749293 /nfs/dbraw/zinc/74/92/93/431749293.db2.gz JQBWSXKDXHPKQB-LBPRGKRZSA-N 0 0 302.355 3.416 50 5 DGBARN Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000032842096 431796445 /nfs/dbraw/zinc/79/64/45/431796445.db2.gz MOJKRABUWPQAEP-MRXNPFEDSA-N 0 0 311.341 3.276 50 5 DGBARN COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000032923292 431801718 /nfs/dbraw/zinc/80/17/18/431801718.db2.gz VRXUMMGEXKAGKI-UHFFFAOYSA-N 0 0 320.320 3.388 50 5 DGBARN Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000032925985 431802062 /nfs/dbraw/zinc/80/20/62/431802062.db2.gz MHPVHPUJAASBKH-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN Cc1c(C2=N/C(=C/c3cccs3)C(=O)O2)cccc1[N+](=O)[O-] ZINC000033090813 431805416 /nfs/dbraw/zinc/80/54/16/431805416.db2.gz YDTQDJZXOCMBQJ-XYOKQWHBSA-N 0 0 314.322 3.309 50 5 DGBARN CN(Cc1ccc(F)cc1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033477506 431814827 /nfs/dbraw/zinc/81/48/27/431814827.db2.gz JKMFRQGMVOQIPM-YFHOEESVSA-N 0 0 314.316 3.406 50 5 DGBARN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(Cl)c2c1C ZINC000037328385 431845982 /nfs/dbraw/zinc/84/59/82/431845982.db2.gz XUNOWCWFXGLZFX-UHFFFAOYSA-N 0 0 323.765 3.115 50 5 DGBARN CN(C)C(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1F ZINC000084494988 431825481 /nfs/dbraw/zinc/82/54/81/431825481.db2.gz OYBBECFYOZQJNS-UHFFFAOYSA-N 0 0 323.349 3.109 50 5 DGBARN O=[N+]([O-])c1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1 ZINC000047354912 431909483 /nfs/dbraw/zinc/90/94/83/431909483.db2.gz JKGHIVBAAZTTLM-UHFFFAOYSA-N 0 0 321.289 3.424 50 5 DGBARN C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]12 ZINC000095416824 431925241 /nfs/dbraw/zinc/92/52/41/431925241.db2.gz ACHGEMTVKBYDCJ-TYNCELHUSA-N 0 0 303.362 3.031 50 5 DGBARN CC(=O)c1ccc(N2CCNc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000045802114 431889960 /nfs/dbraw/zinc/88/99/60/431889960.db2.gz PLUFABUFHRJPIP-UHFFFAOYSA-N 0 0 311.341 3.230 50 5 DGBARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046726478 431899799 /nfs/dbraw/zinc/89/97/99/431899799.db2.gz AZFUVFDWNFUSDN-VIFPVBQESA-N 0 0 308.721 3.202 50 5 DGBARN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000096478037 431952796 /nfs/dbraw/zinc/95/27/96/431952796.db2.gz YCZRQMPLJPNMTK-CQSZACIVSA-N 0 0 304.325 3.184 50 5 DGBARN Cc1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)on1 ZINC000097142405 431962816 /nfs/dbraw/zinc/96/28/16/431962816.db2.gz DORAPQCTAOOKQC-UHFFFAOYSA-N 0 0 312.285 3.000 50 5 DGBARN Cc1cc(NC(=O)N(C)CCc2nccs2)ccc1[N+](=O)[O-] ZINC000097163063 431963487 /nfs/dbraw/zinc/96/34/87/431963487.db2.gz OYSXOMCWRPRQCJ-UHFFFAOYSA-N 0 0 320.374 3.066 50 5 DGBARN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccncc1 ZINC000097370626 431968264 /nfs/dbraw/zinc/96/82/64/431968264.db2.gz RGGYGMPIQULAAN-LBPRGKRZSA-N 0 0 324.340 3.496 50 5 DGBARN C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100548067 431982112 /nfs/dbraw/zinc/98/21/12/431982112.db2.gz KPYIUCXVOGYSCQ-MLGOLLRUSA-N 0 0 324.336 3.278 50 5 DGBARN O=[N+]([O-])c1cccc(CS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000151696588 432266595 /nfs/dbraw/zinc/26/65/95/432266595.db2.gz UTKXBKHNPXEWAM-UHFFFAOYSA-N 0 0 317.366 3.057 50 5 DGBARN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000252510830 432381444 /nfs/dbraw/zinc/38/14/44/432381444.db2.gz CAKLQGSXOLKYSA-MLGOLLRUSA-N 0 0 318.352 3.014 50 5 DGBARN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccccc1 ZINC000184458943 432393668 /nfs/dbraw/zinc/39/36/68/432393668.db2.gz WCELTSAIOQPIID-ZBEGNZNMSA-N 0 0 311.341 3.010 50 5 DGBARN CCc1csc([C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)n1 ZINC000253425552 432396104 /nfs/dbraw/zinc/39/61/04/432396104.db2.gz FVFKNCAYAXYOFA-LLVKDONJSA-N 0 0 318.402 3.393 50 5 DGBARN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1csc([N+](=O)[O-])c1)N2 ZINC000153667828 432431272 /nfs/dbraw/zinc/43/12/72/432431272.db2.gz WMFJOGNNDQUMPQ-CYBMUJFWSA-N 0 0 303.343 3.161 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)n1cnc2ccccc21 ZINC000193060947 432444012 /nfs/dbraw/zinc/44/40/12/432444012.db2.gz NEAKOZPLNMCTBX-LBPRGKRZSA-N 0 0 324.340 3.453 50 5 DGBARN COc1cccc(NCc2ccc([C@@H](C)O)cc2)c1[N+](=O)[O-] ZINC000185233210 432481319 /nfs/dbraw/zinc/48/13/19/432481319.db2.gz UFCFTVNBZREGLF-LLVKDONJSA-N 0 0 302.330 3.269 50 5 DGBARN COc1cc(CN(C)Cc2cc(F)ccc2[N+](=O)[O-])ccc1O ZINC000177050334 432579214 /nfs/dbraw/zinc/57/92/14/432579214.db2.gz PWJJEYJYDWSJTE-UHFFFAOYSA-N 0 0 320.320 3.080 50 5 DGBARN C[C@@H]1C[C@H](SC2CCC([N+](=O)[O-])CC2)CC[C@@H]1[N+](=O)[O-] ZINC000044126542 288779015 /nfs/dbraw/zinc/77/90/15/288779015.db2.gz LBGFSCJRIVPHOV-IIBVRRFFSA-N 0 0 302.396 3.141 50 5 DGBARN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000108106537 297086013 /nfs/dbraw/zinc/08/60/13/297086013.db2.gz PKZFGGRLDDOZHT-MFKMUULPSA-N 0 0 305.359 3.018 50 5 DGBARN CSC1(CNc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000078412495 337370930 /nfs/dbraw/zinc/37/09/30/337370930.db2.gz RHEOECHNKCNLFF-UHFFFAOYSA-N 0 0 300.355 3.058 50 5 DGBARN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000241161287 501081866 /nfs/dbraw/zinc/08/18/66/501081866.db2.gz JZQZFHGAUSFCLY-UXIGCNINSA-N 0 0 308.353 3.254 50 5 DGBARN CC(=O)c1ccc(N[C@H](C)c2nccc(C)n2)c([N+](=O)[O-])c1 ZINC000408523168 527320634 /nfs/dbraw/zinc/32/06/34/527320634.db2.gz HOKRLWATKGOCGN-SNVBAGLBSA-N 0 0 300.318 3.069 50 5 DGBARN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1OCCc2sccc21 ZINC000078478965 545748351 /nfs/dbraw/zinc/74/83/51/545748351.db2.gz HADZPKARDSJJHE-GFCCVEGCSA-N 0 0 305.359 3.086 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)OCc2ccccc2)c1 ZINC000670427167 547753531 /nfs/dbraw/zinc/75/35/31/547753531.db2.gz QBDQCTLDVASJSW-UHFFFAOYSA-N 0 0 301.298 3.025 50 5 DGBARN O=C(/C=C\c1cccc(F)c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000033561420 620709447 /nfs/dbraw/zinc/70/94/47/620709447.db2.gz SDOGYAPCQIHPPM-TWGQIWQCSA-N 0 0 301.273 3.491 50 5 DGBARN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]3C(F)F)co2)cc1 ZINC000864091488 621736183 /nfs/dbraw/zinc/73/61/83/621736183.db2.gz XLZJAIGHVXQOHL-LBPRGKRZSA-N 0 0 309.272 3.089 50 5 DGBARN O=C(C=Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1 ZINC000035374501 660924084 /nfs/dbraw/zinc/92/40/84/660924084.db2.gz NRWDBDQKLBCTMY-KHPPLWFESA-N 0 0 311.293 3.034 50 5 DGBARN COc1ccccc1-c1nc(-c2ccccc2[N+](=O)[O-])cc(=O)o1 ZINC000022242097 655634325 /nfs/dbraw/zinc/63/43/25/655634325.db2.gz LBQAGRKCAGSGPA-UHFFFAOYSA-N 0 0 324.292 3.286 50 5 DGBARN CN(c1ccc(O)cc1)c1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000003879053 656007700 /nfs/dbraw/zinc/00/77/00/656007700.db2.gz SYMLERXSWCZXJX-UHFFFAOYSA-N 0 0 320.692 3.258 50 5 DGBARN Cc1cc(N2CCC[C@H](c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000952994126 662210911 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312.351 3.311 50 5 DGBARN COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1Nc1ccccc1C ZINC000044126424 183395480 /nfs/dbraw/zinc/39/54/80/183395480.db2.gz KRPWDRSTWRLIFG-UHFFFAOYSA-N 0 0 319.292 3.155 50 5 DGBARN O=C(c1ccc2cc[nH]c2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055098355 183963462 /nfs/dbraw/zinc/96/34/62/183963462.db2.gz JJKKCCUAARCPIM-UHFFFAOYSA-N 0 0 307.309 3.279 50 5 DGBARN C[C@@H](O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000058177906 184084812 /nfs/dbraw/zinc/08/48/12/184084812.db2.gz RRULHDKUPDTWQH-SECBINFHSA-N 0 0 304.258 3.349 50 5 DGBARN COc1ccc(CCCNc2ncccc2[N+](=O)[O-])cc1OC ZINC000058440951 184118996 /nfs/dbraw/zinc/11/89/96/184118996.db2.gz SALKIVICHQZCBA-UHFFFAOYSA-N 0 0 317.345 3.052 50 5 DGBARN O=C1OC(c2ccccc2)=N/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033305727 284944595 /nfs/dbraw/zinc/94/45/95/284944595.db2.gz VEUIMDACLPJDDY-JNVWRRHBSA-N 0 0 320.304 3.496 50 5 DGBARN Cc1sc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000067107278 184449536 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C[C@H](NC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000071879767 184883904 /nfs/dbraw/zinc/88/39/04/184883904.db2.gz CHVOWMWXUBOCQI-LBPRGKRZSA-N 0 0 311.341 3.381 50 5 DGBARN O=[N+]([O-])c1cccnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000069461090 296517660 /nfs/dbraw/zinc/51/76/60/296517660.db2.gz NQPXSFVIFONSIR-AWEZNQCLSA-N 0 0 319.748 3.221 50 5 DGBARN O=c1c2c3c(sc2nc2c4ccccc4cnn12)CCCC3 ZINC000000091485 296528498 /nfs/dbraw/zinc/52/84/98/296528498.db2.gz LMRZXWYSGZWMIP-UHFFFAOYSA-N 0 0 307.378 3.336 50 5 DGBARN N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)S1 ZINC000113837399 400382237 /nfs/dbraw/zinc/38/22/37/400382237.db2.gz KLGNIKJTNSWPEI-KRXBUXKQSA-N 0 0 318.141 3.040 50 5 DGBARN CCCn1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21 ZINC000024746107 425799579 /nfs/dbraw/zinc/79/95/79/425799579.db2.gz QXSUNGXUTAFLCR-UHFFFAOYSA-N 0 0 314.301 3.200 50 5 DGBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003151011 274753630 /nfs/dbraw/zinc/75/36/30/274753630.db2.gz FDAJPLNEEWBDNX-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN CC1(C)CN(c2ncc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000192549813 276137039 /nfs/dbraw/zinc/13/70/39/276137039.db2.gz GNVNHWFUZDZLJJ-SSDOTTSWSA-N 0 0 309.313 3.466 50 5 DGBARN CC[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000006820491 276618481 /nfs/dbraw/zinc/61/84/81/276618481.db2.gz XWERWAMLHQCTRC-ZDUSSCGKSA-N 0 0 319.405 3.359 50 5 DGBARN C[C@@H]1SCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H]1C ZINC000253394263 278073396 /nfs/dbraw/zinc/07/33/96/278073396.db2.gz AXZARIMRLKMQCH-QWRGUYRKSA-N 0 0 303.387 3.473 50 5 DGBARN COC(=O)[C@H](C)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000046557 431114224 /nfs/dbraw/zinc/11/42/24/431114224.db2.gz GNJYMNITYSCXQG-NSHDSACASA-N 0 0 312.321 3.195 50 5 DGBARN COc1cccc2c1oc(=O)c1c(N)nc3c(c21)C[C@H](C)CC3 ZINC000000054531 431117367 /nfs/dbraw/zinc/11/73/67/431117367.db2.gz UIZDRDNLLBBVDN-SECBINFHSA-N 0 0 310.353 3.057 50 5 biogenic DGBARN CCOC(=O)COc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000000101185 431126480 /nfs/dbraw/zinc/12/64/80/431126480.db2.gz MUDVZUHASCEVLB-UHFFFAOYSA-N 0 0 312.321 3.197 50 5 DGBARN O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccccc1 ZINC000000072187 431119591 /nfs/dbraw/zinc/11/95/91/431119591.db2.gz HJQVVYOOMHGHJQ-UHFFFAOYSA-N 0 0 303.339 3.430 50 5 DGBARN Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccc(Br)cc2)n1 ZINC000000075234 431119744 /nfs/dbraw/zinc/11/97/44/431119744.db2.gz SKKIDMSNADLCMB-CYBMUJFWSA-N 0 0 324.178 3.129 50 5 DGBARN O=C1CSc2ccc([N+](=O)[O-])cc2N1Cc1ccccc1F ZINC000000086533 431121858 /nfs/dbraw/zinc/12/18/58/431121858.db2.gz SOWMYYGCOYCCKG-UHFFFAOYSA-N 0 0 318.329 3.373 50 5 DGBARN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000000103424 431124960 /nfs/dbraw/zinc/12/49/60/431124960.db2.gz VAWHVBUXCGGPNU-NSHDSACASA-N 0 0 300.314 3.094 50 5 DGBARN O=c1[nH]c2ccccc2nc1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000106456 431126237 /nfs/dbraw/zinc/12/62/37/431126237.db2.gz LFUYDLNRPDMEHE-UHFFFAOYSA-N 0 0 315.716 3.076 50 5 DGBARN Cc1cc(C)nc(Sc2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC000000121968 431129311 /nfs/dbraw/zinc/12/93/11/431129311.db2.gz XURGHKVTLSPTCX-UHFFFAOYSA-N 0 0 319.371 3.158 50 5 DGBARN Cc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000000302598 431161569 /nfs/dbraw/zinc/16/15/69/431161569.db2.gz SANQEFDQZNAHJV-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN COc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000301819 431161796 /nfs/dbraw/zinc/16/17/96/431161796.db2.gz NRBMASVSXWSDAJ-NSHDSACASA-N 0 0 316.313 3.009 50 5 DGBARN Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000000319254 431166296 /nfs/dbraw/zinc/16/62/96/431166296.db2.gz AQZCSWQTDBVQMB-UHFFFAOYSA-N 0 0 302.305 3.015 50 5 DGBARN O=C(OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 ZINC000000381352 431174065 /nfs/dbraw/zinc/17/40/65/431174065.db2.gz JMYJZUIPWFBXPI-UHFFFAOYSA-N 0 0 304.283 3.155 50 5 DGBARN CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000452605 431186970 /nfs/dbraw/zinc/18/69/70/431186970.db2.gz SKYNZCPLXXVFGC-UHFFFAOYSA-N 0 0 300.314 3.175 50 5 DGBARN CCn1c(COc2cccnc2[N+](=O)[O-])nc2c1cccc2F ZINC000069513179 431191396 /nfs/dbraw/zinc/19/13/96/431191396.db2.gz SWWRNXIVWNKUEB-UHFFFAOYSA-N 0 0 316.292 3.078 50 5 DGBARN CC1(C)C(=O)O[C@H](/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000000529941 431197211 /nfs/dbraw/zinc/19/72/11/431197211.db2.gz FFGXYKSRDSNOTB-MMQHEFTJSA-N 0 0 317.341 3.155 50 5 DGBARN Cc1ncc([N+](=O)[O-])n1Cc1csc(-c2ccccc2F)n1 ZINC000069566252 431198626 /nfs/dbraw/zinc/19/86/26/431198626.db2.gz UQMZMIXYDYSIJV-UHFFFAOYSA-N 0 0 318.333 3.411 50 5 DGBARN COC(=O)Cn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000000531204 431199734 /nfs/dbraw/zinc/19/97/34/431199734.db2.gz MSVXEQCCULLUOQ-UHFFFAOYSA-N 0 0 305.337 3.219 50 5 DGBARN O=[N+]([O-])c1cccnc1Nc1ccc(NC2CCOCC2)cc1 ZINC000069561353 431200010 /nfs/dbraw/zinc/20/00/10/431200010.db2.gz UUJXPORVAURFCM-UHFFFAOYSA-N 0 0 314.345 3.324 50 5 DGBARN Cc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1 ZINC000001385542 431223337 /nfs/dbraw/zinc/22/33/37/431223337.db2.gz MCCHURHSWUEPDH-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN COCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000001774800 431239104 /nfs/dbraw/zinc/23/91/04/431239104.db2.gz QGZSIPRZNUQQSI-UHFFFAOYSA-N 0 0 324.340 3.263 50 5 DGBARN O=C(Oc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Cl ZINC000003279714 431289877 /nfs/dbraw/zinc/28/98/77/431289877.db2.gz BDOAORMBHOFQNS-UHFFFAOYSA-N 0 0 321.672 3.196 50 5 DGBARN O=C(CCC(=O)c1cccs1)OCc1ccc([N+](=O)[O-])cc1 ZINC000003253964 431290395 /nfs/dbraw/zinc/29/03/95/431290395.db2.gz CTZNWWQKDYNHEX-UHFFFAOYSA-N 0 0 319.338 3.363 50 5 DGBARN C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003253293 431290843 /nfs/dbraw/zinc/29/08/43/431290843.db2.gz QYPUPJGAFIUEEM-NSHDSACASA-N 0 0 320.345 3.045 50 5 DGBARN Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC(=O)c1ccccc1 ZINC000003894928 431292642 /nfs/dbraw/zinc/29/26/42/431292642.db2.gz HMXAYHYMJJLTOK-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN CC(C)CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000071908112 431314715 /nfs/dbraw/zinc/31/47/15/431314715.db2.gz VBBOSBDOKZJFNJ-UHFFFAOYSA-N 0 0 301.346 3.337 50 5 DGBARN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000007911984 431369510 /nfs/dbraw/zinc/36/95/10/431369510.db2.gz ZXTRZPSDWGBVJB-MDZDMXLPSA-N 0 0 307.302 3.179 50 5 DGBARN CCN(CC)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008178302 431385520 /nfs/dbraw/zinc/38/55/20/431385520.db2.gz VFIJDJKNQHWFCN-UHFFFAOYSA-N 0 0 315.376 3.222 50 5 DGBARN Cc1ccc(C)c(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1 ZINC000008579992 431401707 /nfs/dbraw/zinc/40/17/07/431401707.db2.gz USDUNLLBXCHHRG-UHFFFAOYSA-N 0 0 300.314 3.177 50 5 DGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000009610038 431440154 /nfs/dbraw/zinc/44/01/54/431440154.db2.gz XNHPBMKXDONDGO-CHWSQXEVSA-N 0 0 313.357 3.273 50 5 DGBARN CSc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000009368395 431433063 /nfs/dbraw/zinc/43/30/63/431433063.db2.gz YVEMZFKSXDLEAD-JTQLQIEISA-N 0 0 317.370 3.203 50 5 DGBARN Cn1cnc([N+](=O)[O-])c1NCc1csc(-c2ccccc2)n1 ZINC000012577833 431519671 /nfs/dbraw/zinc/51/96/71/431519671.db2.gz PJUGVOUFGNTMRS-UHFFFAOYSA-N 0 0 315.358 3.064 50 5 DGBARN O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c2ncccc12 ZINC000076094799 431525079 /nfs/dbraw/zinc/52/50/79/431525079.db2.gz XAXOZJHWVXWKNC-FUHWJXTLSA-N 0 0 321.336 3.213 50 5 DGBARN CCOc1cc(C(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000029484135 279943330 /nfs/dbraw/zinc/94/33/30/279943330.db2.gz TXPUQVPDXYWUHN-UHFFFAOYSA-N 0 0 322.361 3.018 50 5 DGBARN CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl ZINC000013040581 431544192 /nfs/dbraw/zinc/54/41/92/431544192.db2.gz AFIMPOJEVQKSOV-AWEZNQCLSA-N 0 0 320.780 3.358 50 5 DGBARN COc1ccc(C(C)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013946031 431573353 /nfs/dbraw/zinc/57/33/53/431573353.db2.gz ILXKIWYWPDZDEV-UHFFFAOYSA-N 0 0 314.297 3.058 50 5 DGBARN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000015193278 431604333 /nfs/dbraw/zinc/60/43/33/431604333.db2.gz SPBZGDGRVSNBRP-UHFFFAOYSA-N 0 0 320.326 3.004 50 5 DGBARN CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000015141702 431604476 /nfs/dbraw/zinc/60/44/76/431604476.db2.gz DGFPFSBVCKNLPG-UHFFFAOYSA-N 0 0 307.737 3.158 50 5 DGBARN CCCc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000014255986 431588268 /nfs/dbraw/zinc/58/82/68/431588268.db2.gz VLNIRTQSFMVXGF-UHFFFAOYSA-N 0 0 320.370 3.348 50 5 DGBARN O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000014309249 431590362 /nfs/dbraw/zinc/59/03/62/431590362.db2.gz WVULSWHSSGMZOI-LBPRGKRZSA-N 0 0 323.356 3.250 50 5 DGBARN Cc1cccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000016147937 431610302 /nfs/dbraw/zinc/61/03/02/431610302.db2.gz DBWUDBXOMSJQHJ-UHFFFAOYSA-N 0 0 314.341 3.054 50 5 DGBARN C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000078148796 431644591 /nfs/dbraw/zinc/64/45/91/431644591.db2.gz MFQGEEGZTLTQCK-SNVBAGLBSA-N 0 0 302.355 3.349 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000029750841 431726962 /nfs/dbraw/zinc/72/69/62/431726962.db2.gz ZPMPYOUVFXSMQU-STQMWFEESA-N 0 0 320.389 3.380 50 5 DGBARN CCN(Cc1nc(C(C)(C)C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967758 431750750 /nfs/dbraw/zinc/75/07/50/431750750.db2.gz BDQYMEGGFLDDNZ-UHFFFAOYSA-N 0 0 318.377 3.297 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000029584380 431723623 /nfs/dbraw/zinc/72/36/23/431723623.db2.gz AFADQOCVXGDHRX-UHFFFAOYSA-N 0 0 315.348 3.056 50 5 DGBARN CN(Cc1ccco1)C(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000032747543 431791198 /nfs/dbraw/zinc/79/11/98/431791198.db2.gz VQFYCICYTAAOHV-UHFFFAOYSA-N 0 0 317.345 3.039 50 5 DGBARN C[C@@](CO)(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000084640214 431831704 /nfs/dbraw/zinc/83/17/04/431831704.db2.gz VKIUKNWPNOQMCM-LBPRGKRZSA-N 0 0 304.268 3.187 50 5 DGBARN O=[N+]([O-])c1ccc(Cl)c(-c2nn3c(nnc3C3CC3)s2)c1 ZINC000036367237 431838513 /nfs/dbraw/zinc/83/85/13/431838513.db2.gz KJXONBGELYJDMC-UHFFFAOYSA-N 0 0 321.749 3.292 50 5 DGBARN Cc1c(Cn2cc(C(F)(F)F)ccc2=O)cccc1[N+](=O)[O-] ZINC000047368363 431909451 /nfs/dbraw/zinc/90/94/51/431909451.db2.gz LIRZCTDQHMRSRJ-UHFFFAOYSA-N 0 0 312.247 3.132 50 5 DGBARN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000055007393 431974163 /nfs/dbraw/zinc/97/41/63/431974163.db2.gz HJUMWZYDAIQNDI-NSHDSACASA-N 0 0 320.370 3.303 50 5 DGBARN C[C@H]1CC[C@@H](CCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)O1 ZINC000095973892 431929981 /nfs/dbraw/zinc/92/99/81/431929981.db2.gz BMBUISCRRZIYOE-STQMWFEESA-N 0 0 318.373 3.222 50 5 DGBARN Cc1ccc(-c2nnc(CSc3ccc([N+](=O)[O-])cn3)o2)o1 ZINC000096191787 431941669 /nfs/dbraw/zinc/94/16/69/431941669.db2.gz HFYMABXPAZPLAK-UHFFFAOYSA-N 0 0 318.314 3.234 50 5 DGBARN CC[C@@H](NC(=O)c1cc(C)nn1CC)c1cccc([N+](=O)[O-])c1 ZINC000096454695 431951547 /nfs/dbraw/zinc/95/15/47/431951547.db2.gz VWLNFRBZXIBAGW-CQSZACIVSA-N 0 0 316.361 3.001 50 5 DGBARN C[C@H](c1ccccc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080936 431959162 /nfs/dbraw/zinc/95/91/62/431959162.db2.gz DXRRRQHMPZMNBS-LLVKDONJSA-N 0 0 300.318 3.215 50 5 DGBARN CN(CC(F)F)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097085665 431960049 /nfs/dbraw/zinc/96/00/49/431960049.db2.gz PFILVQITBXBAEL-UHFFFAOYSA-N 0 0 324.736 3.064 50 5 DGBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CCOCC1 ZINC000097145796 431963255 /nfs/dbraw/zinc/96/32/55/431963255.db2.gz IXQFMJDGZOXTME-LBPRGKRZSA-N 0 0 321.377 3.148 50 5 DGBARN CNC(=O)c1cnc(/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000097164172 431964586 /nfs/dbraw/zinc/96/45/86/431964586.db2.gz DAVPVRWZXGGPKU-HWKANZROSA-N 0 0 323.761 3.235 50 5 DGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1cc2ccccc2[nH]1 ZINC000097284828 431966528 /nfs/dbraw/zinc/96/65/28/431966528.db2.gz ZEVVNRHBWFYBCI-HJWRWDBZSA-N 0 0 321.336 3.406 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2ccccc2n1 ZINC000021887549 281018815 /nfs/dbraw/zinc/01/88/15/281018815.db2.gz JIDHRNQHNFLLQB-UHFFFAOYSA-N 0 0 308.297 3.099 50 5 DGBARN O=C(O[C@@H]1C=C[C@@H]2C=C[C@H]3C=C[C@@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000101138867 431983673 /nfs/dbraw/zinc/98/36/73/431983673.db2.gz VYMDTEMQEMYLDP-XBJNOIPFSA-N 0 0 309.321 3.294 50 5 DGBARN CC(C)c1ccc(-c2nn3cnc4ccccc4c3nc2=O)cc1 ZINC000058047008 431995008 /nfs/dbraw/zinc/99/50/08/431995008.db2.gz MBBKCKSCFDAHID-UHFFFAOYSA-N 0 0 316.364 3.428 50 5 DGBARN CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000178101128 432694377 /nfs/dbraw/zinc/69/43/77/432694377.db2.gz XAQXOGRDARJYCV-OLZOCXBDSA-N 0 0 308.403 3.307 50 5 DGBARN O=[N+]([O-])c1cccnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000069461094 304810998 /nfs/dbraw/zinc/81/09/98/304810998.db2.gz NQPXSFVIFONSIR-CQSZACIVSA-N 0 0 319.748 3.221 50 5 DGBARN CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000450903 331462546 /nfs/dbraw/zinc/46/25/46/331462546.db2.gz NCLGGVCPHOWWEJ-LBPRGKRZSA-N 0 0 314.341 3.485 50 5 DGBARN CCCO[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206573 545777482 /nfs/dbraw/zinc/77/74/82/545777482.db2.gz REUIXBRRZKNBTG-CYBMUJFWSA-N 0 0 319.361 3.127 50 5 DGBARN Cc1csc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000084086299 545783763 /nfs/dbraw/zinc/78/37/63/545783763.db2.gz HNKZBICWDSAYCJ-UHFFFAOYSA-N 0 0 310.306 3.164 50 5 DGBARN Cc1cc(N2CC3(CCC3)[C@@H]2c2cccnc2)ncc1[N+](=O)[O-] ZINC000952964772 660444880 /nfs/dbraw/zinc/44/48/80/660444880.db2.gz WIQAEUCXRPPNKD-INIZCTEOSA-N 0 0 310.357 3.425 50 5 DGBARN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000096867696 655701211 /nfs/dbraw/zinc/70/12/11/655701211.db2.gz ZXTRZPSDWGBVJB-KTKRTIGZSA-N 0 0 307.302 3.179 50 5 DGBARN O=C(NCc1ccc(O)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000095427741 185362114 /nfs/dbraw/zinc/36/21/14/185362114.db2.gz MZOLPDYJKNQCHH-UHFFFAOYSA-N 0 0 324.695 3.023 50 5 DGBARN O=[N+]([O-])c1ccc(N2CC[C@@H](O)c3ccccc3C2)c(F)c1 ZINC000095467614 185372107 /nfs/dbraw/zinc/37/21/07/185372107.db2.gz ULKJAIVCWSFKPC-MRXNPFEDSA-N 0 0 302.305 3.178 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1 ZINC000021298122 190646993 /nfs/dbraw/zinc/64/69/93/190646993.db2.gz OJITWRFPRCHSMX-UHFFFAOYSA-N 0 0 307.313 3.499 50 5 in-vitro DGBARN CN(C)c1cc(Br)c([N+](=O)[O-])c(Br)c1 ZINC000066091774 432013324 /nfs/dbraw/zinc/01/33/24/432013324.db2.gz BTFHJLVOGDJDDI-UHFFFAOYSA-N 0 0 323.972 3.186 50 5 DGBARN Cn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 ZINC000095470759 282560123 /nfs/dbraw/zinc/56/01/23/282560123.db2.gz PTIFHFIJQUNQOS-UHFFFAOYSA-N 0 0 301.301 3.389 50 5 DGBARN CCc1ocnc1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000083817716 192385639 /nfs/dbraw/zinc/38/56/39/192385639.db2.gz GHGJVXCOJPIZIO-JTQLQIEISA-N 0 0 304.302 3.372 50 5 DGBARN Cc1csc(N(C(=O)c2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000084268392 192418512 /nfs/dbraw/zinc/41/85/12/192418512.db2.gz CNMSHACIAGSACQ-UHFFFAOYSA-N 0 0 303.343 3.169 50 5 DGBARN COc1cc(NCc2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000084796890 192467908 /nfs/dbraw/zinc/46/79/08/192467908.db2.gz PIGAAXJLMDMAQW-UHFFFAOYSA-N 0 0 315.329 3.174 50 5 DGBARN Cc1cc(NCc2cc[nH]n2)c(Br)cc1[N+](=O)[O-] ZINC000225589164 186280577 /nfs/dbraw/zinc/28/05/77/186280577.db2.gz YXVWGRZXVDOUTK-UHFFFAOYSA-N 0 0 311.139 3.001 50 5 DGBARN O=C(NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000072331666 191125476 /nfs/dbraw/zinc/12/54/76/191125476.db2.gz DGMCLUBCBNEOCM-UHFFFAOYSA-N 0 0 314.219 3.137 50 5 DGBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000000056852 180680199 /nfs/dbraw/zinc/68/01/99/180680199.db2.gz JWPZXDPPTKHUBO-UHFFFAOYSA-N 0 0 318.716 3.460 50 5 DGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000000068132 180683045 /nfs/dbraw/zinc/68/30/45/180683045.db2.gz RCNNPKVZVYQDCH-UHFFFAOYSA-N 0 0 311.253 3.041 50 5 DGBARN Cc1sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C ZINC000000132392 180703586 /nfs/dbraw/zinc/70/35/86/180703586.db2.gz PYCXQVUKYOLASB-UHFFFAOYSA-N 0 0 315.354 3.031 50 5 DGBARN COc1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000000314216 180756671 /nfs/dbraw/zinc/75/66/71/180756671.db2.gz ONSMTXZXWJPXBH-UHFFFAOYSA-N 0 0 318.354 3.334 50 5 DGBARN O=Cc1cn(-c2ccccc2F)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000732224 180832001 /nfs/dbraw/zinc/83/20/01/180832001.db2.gz PKQFKQFKYSPRBU-UHFFFAOYSA-N 0 0 311.272 3.399 50 5 DGBARN Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000001284533 180853356 /nfs/dbraw/zinc/85/33/56/180853356.db2.gz LBRNDGCIXWLAAE-CYBMUJFWSA-N 0 0 314.341 3.159 50 5 DGBARN C[C@@H](C(=O)Nc1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 ZINC000001424770 180864556 /nfs/dbraw/zinc/86/45/56/180864556.db2.gz CJZZLBNGYNLHPN-NSHDSACASA-N 0 0 310.313 3.144 50 5 DGBARN Cc1ccc2c(c1)nnn2CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003151840 180986037 /nfs/dbraw/zinc/98/60/37/180986037.db2.gz PISFXLCIASOQIV-UHFFFAOYSA-N 0 0 317.736 3.371 50 5 DGBARN O=C1OCC(c2ccc(F)c(F)c2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000003300937 181002202 /nfs/dbraw/zinc/00/22/02/181002202.db2.gz ICIAVZUQTLERLD-UHFFFAOYSA-N 0 0 317.247 3.341 50 5 DGBARN CSc1ncccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000003312163 181003650 /nfs/dbraw/zinc/00/36/50/181003650.db2.gz GHDRMHXQQFCHOA-UHFFFAOYSA-N 0 0 304.327 3.069 50 5 DGBARN COc1ccc(C(=O)Oc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000003332666 181006725 /nfs/dbraw/zinc/00/67/25/181006725.db2.gz DCBMAFOGPBSUOB-UHFFFAOYSA-N 0 0 301.298 3.439 50 5 DGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC000003360160 181011583 /nfs/dbraw/zinc/01/15/83/181011583.db2.gz SJVGNGYRNVANDC-UHFFFAOYSA-N 0 0 312.325 3.101 50 5 DGBARN COc1cc(OC)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000003413512 181017079 /nfs/dbraw/zinc/01/70/79/181017079.db2.gz GAKKXPSZZDQGBV-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cncc(Br)c1 ZINC000003898292 181054101 /nfs/dbraw/zinc/05/41/01/181054101.db2.gz OIXGSFMRLLLPNS-UHFFFAOYSA-N 0 0 322.118 3.005 50 5 DGBARN O=C(CCCOc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000003959636 181059393 /nfs/dbraw/zinc/05/93/93/181059393.db2.gz KQDWZWLZAWKTNY-UHFFFAOYSA-N 0 0 300.314 3.393 50 5 DGBARN CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(OC)cc2)c1 ZINC000004095360 181072835 /nfs/dbraw/zinc/07/28/35/181072835.db2.gz RHMCSNGLHRSJLL-UHFFFAOYSA-N 0 0 324.340 3.498 50 5 DGBARN Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000004059582 181068198 /nfs/dbraw/zinc/06/81/98/181068198.db2.gz RWARGMBOMTZVGN-UHFFFAOYSA-N 0 0 300.105 3.017 50 5 DGBARN Cc1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004185206 181083173 /nfs/dbraw/zinc/08/31/73/181083173.db2.gz MXYOAMJEHJWGLU-UHFFFAOYSA-N 0 0 313.357 3.135 50 5 DGBARN CCOc1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004342051 181099804 /nfs/dbraw/zinc/09/98/04/181099804.db2.gz HFUFWIUTXZAKCP-UHFFFAOYSA-N 0 0 316.313 3.011 50 5 DGBARN COC(=O)c1cnc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004394895 181106971 /nfs/dbraw/zinc/10/69/71/181106971.db2.gz QBFDOFIKLDNRNS-UHFFFAOYSA-N 0 0 307.693 3.173 50 5 DGBARN COc1cc(Nc2n[nH]c(C)c2[N+](=O)[O-])c(OC)cc1Cl ZINC000004457750 181110731 /nfs/dbraw/zinc/11/07/31/181110731.db2.gz WYMDZCYSZLJKQI-UHFFFAOYSA-N 0 0 312.713 3.041 50 5 DGBARN O=C([O-])C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000004670091 181134558 /nfs/dbraw/zinc/13/45/58/181134558.db2.gz CLOMOIBUCWDETA-AWEZNQCLSA-N 0 0 318.304 3.040 50 5 DGBARN COc1ccc(NC(=O)c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000004702890 181139916 /nfs/dbraw/zinc/13/99/16/181139916.db2.gz NKYPJVQSBCRDAV-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN O=C(COc1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000004725402 181143090 /nfs/dbraw/zinc/14/30/90/181143090.db2.gz DRZNRQAJZBLNEQ-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN Cc1c(C(=O)Nc2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC000004777335 181151373 /nfs/dbraw/zinc/15/13/73/181151373.db2.gz JZQICZXBVJHGNL-UHFFFAOYSA-N 0 0 314.326 3.160 50 5 DGBARN Cc1noc(C)c1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004808356 181154579 /nfs/dbraw/zinc/15/45/79/181154579.db2.gz GFTRFIXNQJVBMI-UHFFFAOYSA-N 0 0 310.693 3.210 50 5 DGBARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004832780 181158591 /nfs/dbraw/zinc/15/85/91/181158591.db2.gz BGCASNAAMVKWPL-LBPRGKRZSA-N 0 0 300.314 3.309 50 5 DGBARN O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000004843014 181161939 /nfs/dbraw/zinc/16/19/39/181161939.db2.gz OORUPZVGNHKYDK-UHFFFAOYSA-N 0 0 301.302 3.040 50 5 DGBARN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004852435 181163036 /nfs/dbraw/zinc/16/30/36/181163036.db2.gz ACTMUWGYMJXIOI-LBPRGKRZSA-N 0 0 300.314 3.309 50 5 DGBARN COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004893741 181169144 /nfs/dbraw/zinc/16/91/44/181169144.db2.gz ZRXFTDBTLUPDIR-UHFFFAOYSA-N 0 0 320.732 3.438 50 5 DGBARN CCOc1ccc(NC(=O)/C=C/c2ccco2)c([N+](=O)[O-])c1 ZINC000004901979 181169905 /nfs/dbraw/zinc/16/99/05/181169905.db2.gz SIXPAVRROPLLOB-SOFGYWHQSA-N 0 0 302.286 3.238 50 5 DGBARN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000004905304 181170935 /nfs/dbraw/zinc/17/09/35/181170935.db2.gz DMKYSRNUHFEHKW-KBPBESRZSA-N 0 0 312.325 3.346 50 5 DGBARN Cc1cc2ncn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000005060824 181199302 /nfs/dbraw/zinc/19/93/02/181199302.db2.gz YGTPITAZIKWSLO-UHFFFAOYSA-N 0 0 324.340 3.200 50 5 DGBARN COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005172238 181213074 /nfs/dbraw/zinc/21/30/74/181213074.db2.gz UTEUFNLCTSYCTJ-UHFFFAOYSA-N 0 0 300.314 3.093 50 5 DGBARN Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005228613 181219176 /nfs/dbraw/zinc/21/91/76/181219176.db2.gz CKLVBTBOQMWYRR-UHFFFAOYSA-N 0 0 306.705 3.187 50 5 DGBARN COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000005576191 181258822 /nfs/dbraw/zinc/25/88/22/181258822.db2.gz JYKQDGVTIFGWDU-UHFFFAOYSA-N 0 0 315.281 3.025 50 5 DGBARN Cc1ccc([N+](=O)[O-])c2c1[C@H](N1C[C@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000169295738 432071486 /nfs/dbraw/zinc/07/14/86/432071486.db2.gz KXNOTNFTDYFDHS-MKBNYLNASA-N 0 0 320.389 3.225 50 5 DGBARN N=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 ZINC000000291797 283279104 /nfs/dbraw/zinc/27/91/04/283279104.db2.gz GNUTXVFOJLIVNE-UHFFFAOYSA-N 0 0 306.281 3.364 50 5 DGBARN O=[N+]([O-])c1cccc(OCCSc2ccc(Cl)nn2)c1 ZINC000077902217 545742640 /nfs/dbraw/zinc/74/26/40/545742640.db2.gz FKCHFQJJFQJRNC-UHFFFAOYSA-N 0 0 311.750 3.209 50 5 DGBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 ZINC000005970954 181302370 /nfs/dbraw/zinc/30/23/70/181302370.db2.gz SCUCZQDUKHGHOW-SNVBAGLBSA-N 0 0 311.297 3.121 50 5 DGBARN CCn1cc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000193558265 201075590 /nfs/dbraw/zinc/07/55/90/201075590.db2.gz DQOPBTBHVALYRZ-UHFFFAOYSA-N 0 0 314.301 3.045 50 5 DGBARN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006489297 181345039 /nfs/dbraw/zinc/34/50/39/181345039.db2.gz UOTAAQQPWCVBMV-HNNXBMFYSA-N 0 0 320.370 3.024 50 5 DGBARN O=c1oc2ccccc2n1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000006759995 181384556 /nfs/dbraw/zinc/38/45/56/181384556.db2.gz SOTBDUADEPNTNU-UHFFFAOYSA-N 0 0 304.689 3.204 50 5 DGBARN O=c1nc(C(F)(F)F)cc(C=Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000006953683 181428574 /nfs/dbraw/zinc/42/85/74/181428574.db2.gz 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CCCCc1nnc2sc(-c3cccc([N+](=O)[O-])c3C)nn12 ZINC000011277960 431472550 /nfs/dbraw/zinc/47/25/50/431472550.db2.gz VGOXTUGNXATBAZ-UHFFFAOYSA-N 0 0 317.374 3.412 50 5 DGBARN COc1cccc([C@H](CO)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000076063930 431521062 /nfs/dbraw/zinc/52/10/62/431521062.db2.gz PTAPJEXRZDWXQD-HNNXBMFYSA-N 0 0 302.330 3.057 50 5 DGBARN Cc1ccc(OCc2cc3c(c(Cl)c2)OCO3)c([N+](=O)[O-])n1 ZINC000012725062 431524168 /nfs/dbraw/zinc/52/41/68/431524168.db2.gz XTXFUVFKIMAKAT-UHFFFAOYSA-N 0 0 322.704 3.259 50 5 DGBARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])s1 ZINC000013013000 431543876 /nfs/dbraw/zinc/54/38/76/431543876.db2.gz QFHJUAJRJLSFCU-UHFFFAOYSA-N 0 0 320.326 3.070 50 5 DGBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 ZINC000000295705 280268256 /nfs/dbraw/zinc/26/82/56/280268256.db2.gz WJURWESBBCDFET-MRXNPFEDSA-N 0 0 314.366 3.369 50 5 DGBARN Cc1cc(N2CCC(OC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000077227032 431575358 /nfs/dbraw/zinc/57/53/58/431575358.db2.gz 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O=C(c1ccc([N+](=O)[O-])cc1)N1CCCc2ccc(F)cc21 ZINC000040117137 431856633 /nfs/dbraw/zinc/85/66/33/431856633.db2.gz IXQVDLLFIFXIGZ-UHFFFAOYSA-N 0 0 300.289 3.327 50 5 DGBARN Cc1occc1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000089540724 431869630 /nfs/dbraw/zinc/86/96/30/431869630.db2.gz FUCGUTKKVMPARQ-UHFFFAOYSA-N 0 0 317.301 3.065 50 5 DGBARN O=[N+]([O-])c1ccc(/C=C/c2nccn2Cc2ccccc2)nc1 ZINC000084503583 431825507 /nfs/dbraw/zinc/82/55/07/431825507.db2.gz PGUCDMCZOMOCNI-VQHVLOKHSA-N 0 0 306.325 3.405 50 5 DGBARN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000047296122 431907946 /nfs/dbraw/zinc/90/79/46/431907946.db2.gz BLNIJSHJJUGWEG-RHSMWYFYSA-N 0 0 323.352 3.418 50 5 DGBARN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)c(F)c1 ZINC000095422791 431925250 /nfs/dbraw/zinc/92/52/50/431925250.db2.gz BEDFLBVYIOIOSJ-CQSZACIVSA-N 0 0 304.325 3.184 50 5 DGBARN O=[N+]([O-])c1cccc(CNc2ccn(CCc3ccncc3)n2)c1 ZINC000089780833 431879299 /nfs/dbraw/zinc/87/92/99/431879299.db2.gz 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281530789 /nfs/dbraw/zinc/53/07/89/281530789.db2.gz HLWLYWGTGDCTPI-UHFFFAOYSA-N 0 0 318.332 3.055 50 5 DGBARN Nc1ccc(OCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000225823855 432698679 /nfs/dbraw/zinc/69/86/79/432698679.db2.gz NIOHQABJMJDGLL-UHFFFAOYSA-N 0 0 308.721 3.288 50 5 DGBARN Cc1noc(C)c1CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000189723776 432814646 /nfs/dbraw/zinc/81/46/46/432814646.db2.gz ATQLINBSKMVPCV-UHFFFAOYSA-N 0 0 309.753 3.485 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)c1nccs1 ZINC000163250463 432847388 /nfs/dbraw/zinc/84/73/88/432847388.db2.gz RDTOGVKVJHKHDQ-SNVBAGLBSA-N 0 0 320.374 3.285 50 5 DGBARN CC[C@@H](C)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000277507346 432856290 /nfs/dbraw/zinc/85/62/90/432856290.db2.gz FICAXYMAMXVBOU-HQJQHLMTSA-N 0 0 322.258 3.441 50 5 DGBARN COc1cc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000241815975 294993864 /nfs/dbraw/zinc/99/38/64/294993864.db2.gz SEPGCVNLAMZOMF-IIAWOOMASA-N 0 0 320.389 3.123 50 5 DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 ZINC000005732867 295032056 /nfs/dbraw/zinc/03/20/56/295032056.db2.gz UTSVPXMQSFGQTM-NTCNTBNZSA-N 0 0 324.288 3.006 50 5 endogenous,in-man DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 ZINC000005732865 295032355 /nfs/dbraw/zinc/03/23/55/295032355.db2.gz UTSVPXMQSFGQTM-DCXZOGHSSA-N 0 0 324.288 3.006 50 5 endogenous,in-man DGBARN Cc1ccc(C(C)(C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000408514053 434583112 /nfs/dbraw/zinc/58/31/12/434583112.db2.gz FSABSSXUDPORRD-UHFFFAOYSA-N 0 0 317.320 3.102 50 5 DGBARN O=[N+]([O-])c1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1 ZINC000000150439 331459510 /nfs/dbraw/zinc/45/95/10/331459510.db2.gz ODDFEKFMOBHBSM-UHFFFAOYSA-N 0 0 314.248 3.385 50 5 DGBARN Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C ZINC000000450959 331462553 /nfs/dbraw/zinc/46/25/53/331462553.db2.gz BUXCBNZPHMTSKW-UHFFFAOYSA-N 0 0 318.304 3.368 50 5 DGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cnco2)cc1 ZINC000133117391 534703949 /nfs/dbraw/zinc/70/39/49/534703949.db2.gz MGCROCPQWMDVPI-UHFFFAOYSA-N 0 0 323.308 3.431 50 5 DGBARN Cc1nn(-c2cc(Cl)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000000036179 545643081 /nfs/dbraw/zinc/64/30/81/545643081.db2.gz FENJTMDAMNDVCA-UHFFFAOYSA-N 0 0 315.716 3.256 50 5 DGBARN Cc1nc(Cn2cc3cc([N+](=O)[O-])cc(Cl)c3n2)oc1C ZINC000888096245 618625153 /nfs/dbraw/zinc/62/51/53/618625153.db2.gz OLZXTUPLAOFMFR-UHFFFAOYSA-N 0 0 306.709 3.251 50 5 DGBARN Cc1nc(/C=C/C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000031930816 620532624 /nfs/dbraw/zinc/53/26/24/620532624.db2.gz HFZFXMZJMRYPBI-BQYQJAHWSA-N 0 0 317.370 3.032 50 5 DGBARN O=C1Nc2ccccc2[C@@H]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000103101329 432003192 /nfs/dbraw/zinc/00/31/92/432003192.db2.gz HFEWCMRDFWEQFM-LBPRGKRZSA-N 0 0 315.304 3.272 50 5 DGBARN CC(=O)Cc1c(F)c(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000079045349 185148633 /nfs/dbraw/zinc/14/86/33/185148633.db2.gz PWDPRNDZBPRZKC-UHFFFAOYSA-N 0 0 303.289 3.444 50 5 DGBARN COc1cc(C(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000000503884 190615140 /nfs/dbraw/zinc/61/51/40/190615140.db2.gz PDHYFPIHWHWMFE-UHFFFAOYSA-N 0 0 321.716 3.496 50 5 DGBARN COC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 ZINC000095409129 185356682 /nfs/dbraw/zinc/35/66/82/185356682.db2.gz QHRQDFQCRLPAMK-LBPRGKRZSA-N 0 0 306.318 3.304 50 5 DGBARN CCN(Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095430636 185362842 /nfs/dbraw/zinc/36/28/42/185362842.db2.gz NRZFSEYELMEFBI-GFCCVEGCSA-N 0 0 317.345 3.037 50 5 DGBARN CCN(Cc1cccs1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080937 185406587 /nfs/dbraw/zinc/40/65/87/185406587.db2.gz NAGQGTVKKMLJAL-UHFFFAOYSA-N 0 0 306.347 3.105 50 5 DGBARN Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000024485012 190649139 /nfs/dbraw/zinc/64/91/39/190649139.db2.gz PSCHGHUNNGSPTD-UHFFFAOYSA-N 0 0 322.267 3.199 50 5 DGBARN O=[N+]([O-])c1ccc(N(C[C@H]2CCOC2)C2CC2)c2ccncc21 ZINC000097145543 185415802 /nfs/dbraw/zinc/41/58/02/185415802.db2.gz VTHMGSPNJOFPIT-GFCCVEGCSA-N 0 0 313.357 3.148 50 5 DGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccncc1 ZINC000069846010 190828206 /nfs/dbraw/zinc/82/82/06/190828206.db2.gz VJKGSQMIWXSKEX-CYBMUJFWSA-N 0 0 313.357 3.142 50 5 DGBARN Cn1c2ccccc2c(NC2CCCCC2)c([N+](=O)[O-])c1=O ZINC000006660111 282602988 /nfs/dbraw/zinc/60/29/88/282602988.db2.gz JQTIKFZJFLILBN-UHFFFAOYSA-N 0 0 301.346 3.191 50 5 DGBARN CC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000102919 180693833 /nfs/dbraw/zinc/69/38/33/180693833.db2.gz CXYXYUQDWCMCQA-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000000103404 180693971 /nfs/dbraw/zinc/69/39/71/180693971.db2.gz LUDVJXZQOCYZKF-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000103144 180694040 /nfs/dbraw/zinc/69/40/40/180694040.db2.gz IJMKDLBBYDDPIY-UHFFFAOYSA-N 0 0 314.297 3.024 50 5 DGBARN O=C(NCc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000168558 180713535 /nfs/dbraw/zinc/71/35/35/180713535.db2.gz DWCICSZAWDNOGJ-UHFFFAOYSA-N 0 0 308.696 3.317 50 5 DGBARN CN(C)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000265867 180742315 /nfs/dbraw/zinc/74/23/15/180742315.db2.gz BNMRPLDKPOJMII-UHFFFAOYSA-N 0 0 303.293 3.052 50 5 DGBARN Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000000310794 180755405 /nfs/dbraw/zinc/75/54/05/180755405.db2.gz KNDSMTAJXXFHQY-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1ccccc1F ZINC000003339351 181008493 /nfs/dbraw/zinc/00/84/93/181008493.db2.gz WLFYJMVHMXCDRB-MDZDMXLPSA-N 0 0 301.273 3.491 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000003897738 181054366 /nfs/dbraw/zinc/05/43/66/181054366.db2.gz BLUNWKXNNJKIBC-UHFFFAOYSA-N 0 0 311.091 3.203 50 5 DGBARN CCOc1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000004031841 181065157 /nfs/dbraw/zinc/06/51/57/181065157.db2.gz RBVFJXHRSNVSQV-UHFFFAOYSA-N 0 0 316.313 3.254 50 5 DGBARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004039211 181065752 /nfs/dbraw/zinc/06/57/52/181065752.db2.gz STACQUJUFGWYOT-NSHDSACASA-N 0 0 316.313 3.009 50 5 DGBARN O=C(COc1ccccc1)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004070779 181069386 /nfs/dbraw/zinc/06/93/86/181069386.db2.gz VSBFQMZLYHTKNQ-UHFFFAOYSA-N 0 0 307.689 3.233 50 5 DGBARN CCOC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004294096 181093822 /nfs/dbraw/zinc/09/38/22/181093822.db2.gz NOTADAJQMSNHKJ-UHFFFAOYSA-N 0 0 309.265 3.269 50 5 DGBARN CC(C)CCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1 ZINC000004306001 181095277 /nfs/dbraw/zinc/09/52/77/181095277.db2.gz LKOYRMZRFRTGFR-UHFFFAOYSA-N 0 0 322.413 3.170 50 5 DGBARN CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004588266 181127447 /nfs/dbraw/zinc/12/74/47/181127447.db2.gz LVZXUCCZEKFMSM-UHFFFAOYSA-N 0 0 316.313 3.254 50 5 DGBARN Cc1c(C(=O)NCCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000004598795 181128720 /nfs/dbraw/zinc/12/87/20/181128720.db2.gz HWVOUEAPCJWMSQ-UHFFFAOYSA-N 0 0 302.305 3.015 50 5 DGBARN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000004619163 181129667 /nfs/dbraw/zinc/12/96/67/181129667.db2.gz ULGQGSNRALKMDS-NSHDSACASA-N 0 0 320.370 3.171 50 5 DGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004703343 181139922 /nfs/dbraw/zinc/13/99/22/181139922.db2.gz AOSOYMHSHHPZCZ-UHFFFAOYSA-N 0 0 319.748 3.090 50 5 DGBARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000004820524 181156592 /nfs/dbraw/zinc/15/65/92/181156592.db2.gz CGMDQSOUQKBFTO-LBPRGKRZSA-N 0 0 300.314 3.309 50 5 DGBARN C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004835334 181160205 /nfs/dbraw/zinc/16/02/05/181160205.db2.gz SWCFIFDZJDYFOG-JTQLQIEISA-N 0 0 303.343 3.109 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000005009733 181189833 /nfs/dbraw/zinc/18/98/33/181189833.db2.gz ZIMDKXQUCGFQDV-LBPRGKRZSA-N 0 0 300.314 3.309 50 5 DGBARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000005107684 181204268 /nfs/dbraw/zinc/20/42/68/181204268.db2.gz KMSQVJVBBFHHRB-GFCCVEGCSA-N 0 0 300.314 3.309 50 5 DGBARN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000005345080 181232487 /nfs/dbraw/zinc/23/24/87/181232487.db2.gz PRCYJGSEQUCBLA-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN O=[N+]([O-])c1ccc2ncnc(NCCc3cccs3)c2c1 ZINC000080109270 192001724 /nfs/dbraw/zinc/00/17/24/192001724.db2.gz YCVHGZMRVWRDFJ-UHFFFAOYSA-N 0 0 300.343 3.254 50 5 DGBARN COc1cc(C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000005711848 181275392 /nfs/dbraw/zinc/27/53/92/181275392.db2.gz VBIADIVWIHMDLX-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN Cc1ncccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179616957 199064911 /nfs/dbraw/zinc/06/49/11/199064911.db2.gz OHCVZHYKHDIOFA-UHFFFAOYSA-N 0 0 311.341 3.103 50 5 DGBARN COCc1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)c1ccsc1 ZINC000170649979 432075375 /nfs/dbraw/zinc/07/53/75/432075375.db2.gz LFEKBGDPOUEIPW-OAHLLOKOSA-N 0 0 322.386 3.122 50 5 DGBARN Cc1ccc(OCC(=O)c2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000006507504 181347058 /nfs/dbraw/zinc/34/70/58/181347058.db2.gz PVHFOEZWDXSARU-UHFFFAOYSA-N 0 0 312.734 3.275 50 5 DGBARN Cc1ccc(O[C@@H](C(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007181346 181444262 /nfs/dbraw/zinc/44/42/62/181444262.db2.gz OCDQGSBGSVXHMG-MRXNPFEDSA-N 0 0 314.341 3.112 50 5 DGBARN COc1cc(CN2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1O ZINC000093335359 193232852 /nfs/dbraw/zinc/23/28/52/193232852.db2.gz PISJSSLYMQEHFE-GFCCVEGCSA-N 0 0 318.329 3.239 50 5 DGBARN O=C1OCCN1c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000095350769 193426387 /nfs/dbraw/zinc/42/63/87/193426387.db2.gz PKFOKGUEJCPTKV-UHFFFAOYSA-N 0 0 313.313 3.164 50 5 DGBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)c(Cl)c1 ZINC000007781277 181495868 /nfs/dbraw/zinc/49/58/68/181495868.db2.gz YVKRTPUXEPUFFJ-UHFFFAOYSA-N 0 0 302.677 3.360 50 5 DGBARN CC(=O)Oc1cn(C2CC2)c2nc(C)n3c4ccccc4nc3c12 ZINC000008656571 181571117 /nfs/dbraw/zinc/57/11/17/181571117.db2.gz BADZDHLCIMJEGZ-UHFFFAOYSA-N 0 0 320.352 3.406 50 5 DGBARN Cc1c(C(=O)Nc2nnc(C(C)C)s2)cccc1[N+](=O)[O-] ZINC000009367667 181618039 /nfs/dbraw/zinc/61/80/39/181618039.db2.gz WCRGDJGBAAMOEP-UHFFFAOYSA-N 0 0 306.347 3.130 50 5 DGBARN CC(C)(C)N(C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCCCC1 ZINC000010254432 181662245 /nfs/dbraw/zinc/66/22/45/181662245.db2.gz HFUQHIOLKFMMBA-UHFFFAOYSA-N 0 0 323.349 3.034 50 5 DGBARN O=c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2sccc21 ZINC000014241875 181941563 /nfs/dbraw/zinc/94/15/63/181941563.db2.gz GNJMUGVNOFESPM-UHFFFAOYSA-N 0 0 307.718 3.213 50 5 DGBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC000014898707 181974232 /nfs/dbraw/zinc/97/42/32/181974232.db2.gz HYZGUZDGBNUFCJ-UHFFFAOYSA-N 0 0 321.283 3.314 50 5 DGBARN CCn1cc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000017054243 182072129 /nfs/dbraw/zinc/07/21/29/182072129.db2.gz DJSLYTIGNVZZSX-SNVBAGLBSA-N 0 0 317.349 3.002 50 5 DGBARN C[C@@H](CCc1ccco1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018173791 182095770 /nfs/dbraw/zinc/09/57/70/182095770.db2.gz JIFXIHPGVIBLRS-NSHDSACASA-N 0 0 303.318 3.331 50 5 DGBARN C[C@H](CCc1ccco1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018173792 182096032 /nfs/dbraw/zinc/09/60/32/182096032.db2.gz JIFXIHPGVIBLRS-LLVKDONJSA-N 0 0 303.318 3.331 50 5 DGBARN CCOC(=O)c1cc(Br)c(Cl)c([N+](=O)[O-])c1 ZINC000160783981 197438735 /nfs/dbraw/zinc/43/87/35/197438735.db2.gz WABNGGIFKDTJIW-UHFFFAOYSA-N 0 0 308.515 3.187 50 5 DGBARN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020048442 182183827 /nfs/dbraw/zinc/18/38/27/182183827.db2.gz GXVZTMMIMZRIEE-LLVKDONJSA-N 0 0 300.314 3.094 50 5 DGBARN Cc1ccccc1[C@@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000024060924 182374068 /nfs/dbraw/zinc/37/40/68/182374068.db2.gz KCAMHPGYOGEUGF-GFCCVEGCSA-N 0 0 324.340 3.084 50 5 DGBARN COCc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024740877 182389461 /nfs/dbraw/zinc/38/94/61/182389461.db2.gz LIHUSBQTNOABBW-UHFFFAOYSA-N 0 0 315.329 3.063 50 5 DGBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC1=CCCCC1 ZINC000024537587 182382328 /nfs/dbraw/zinc/38/23/28/182382328.db2.gz WMYHGSCXTSVCOY-UHFFFAOYSA-N 0 0 303.362 3.257 50 5 DGBARN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)cc(F)c1 ZINC000024840773 182392905 /nfs/dbraw/zinc/39/29/05/182392905.db2.gz WNPMLQVWYOVBJR-UHFFFAOYSA-N 0 0 314.194 3.404 50 5 DGBARN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1 ZINC000025763385 182421770 /nfs/dbraw/zinc/42/17/70/182421770.db2.gz IJCAKYDECFWVHS-UHFFFAOYSA-N 0 0 300.314 3.301 50 5 DGBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1F ZINC000040512613 183088167 /nfs/dbraw/zinc/08/81/67/183088167.db2.gz MUXBRMOSNRLGKJ-UHFFFAOYSA-N 0 0 316.332 3.325 50 5 DGBARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147302 183341453 /nfs/dbraw/zinc/34/14/53/183341453.db2.gz UWCIEUNARMKCHY-UHFFFAOYSA-N 0 0 318.333 3.172 50 5 DGBARN O=[N+]([O-])c1cc(CSc2nnc(NC3CC3)s2)cs1 ZINC000047172073 183582729 /nfs/dbraw/zinc/58/27/29/183582729.db2.gz IXUCADJBVKBTJM-UHFFFAOYSA-N 0 0 314.417 3.374 50 5 DGBARN O=[N+]([O-])c1c(SC[C@H](O)c2ccccc2)nc2sccn21 ZINC000052427106 183859869 /nfs/dbraw/zinc/85/98/69/183859869.db2.gz ZBAUXGZSJQCDSQ-JTQLQIEISA-N 0 0 321.383 3.130 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000058379697 184110486 /nfs/dbraw/zinc/11/04/86/184110486.db2.gz RODXAQVWGOOVTI-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN O=[N+]([O-])c1ccc2nc(NCCc3nccs3)sc2c1 ZINC000066465670 184409891 /nfs/dbraw/zinc/40/98/91/184409891.db2.gz JMXRERPZXWUTBS-UHFFFAOYSA-N 0 0 306.372 3.316 50 5 DGBARN O=c1c2ccccc2nc2n1CC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000004025325 285212009 /nfs/dbraw/zinc/21/20/09/285212009.db2.gz XIQBVHOTWVNRBA-JLHYYAGUSA-N 0 0 319.320 3.249 50 5 biogenic DGBARN O=[N+]([O-])c1ccccc1OCc1nc(-c2cccs2)no1 ZINC000004686675 257267661 /nfs/dbraw/zinc/26/76/61/257267661.db2.gz YOHNPFLZJOVIFV-UHFFFAOYSA-N 0 0 303.299 3.285 50 5 DGBARN COc1ccc2c(c1)CC[C@@H]1C2=NN[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005720891 400089985 /nfs/dbraw/zinc/08/99/85/400089985.db2.gz XQEWLXACKNFSRI-IRXDYDNUSA-N 0 0 323.352 3.214 50 5 DGBARN CCc1nnc2c3cc4oc5ccccc5c4n3c(CC)nn12 ZINC000005719469 400090177 /nfs/dbraw/zinc/09/01/77/400090177.db2.gz OABCHPIYJUTYEX-UHFFFAOYSA-N 0 0 305.341 3.401 50 5 DGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1cnc2ccccc21 ZINC000004552266 400084676 /nfs/dbraw/zinc/08/46/76/400084676.db2.gz WPOQLYVLMCPMIQ-UHFFFAOYSA-N 0 0 300.249 3.164 50 5 DGBARN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000075492719 400589135 /nfs/dbraw/zinc/58/91/35/400589135.db2.gz NSGGWPUALJFLCL-ZIAGYGMSSA-N 0 0 319.361 3.064 50 5 DGBARN O=[N+]([O-])c1ccc(NCCCc2cc[nH]n2)nc1-c1ccccc1 ZINC000170606501 400764628 /nfs/dbraw/zinc/76/46/28/400764628.db2.gz HVRNLLKXGABXBL-UHFFFAOYSA-N 0 0 323.356 3.425 50 5 DGBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(Cl)c1 ZINC000000041111 275031117 /nfs/dbraw/zinc/03/11/17/275031117.db2.gz NRJSUQPBBYKZRL-UHFFFAOYSA-N 0 0 302.673 3.049 50 5 DGBARN CC(=O)Oc1c(Br)c2c(cc1[N+](=O)[O-])CCCC2 ZINC000005059539 277093857 /nfs/dbraw/zinc/09/38/57/277093857.db2.gz BKBQSSPPBHJLRN-UHFFFAOYSA-N 0 0 314.135 3.161 50 5 DGBARN COC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000000424993 277439545 /nfs/dbraw/zinc/43/95/45/277439545.db2.gz YVHLACWKRYLQAU-UHFFFAOYSA-N 0 0 309.350 3.485 50 5 DGBARN COc1cccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])c1OC ZINC000000276191 278022460 /nfs/dbraw/zinc/02/24/60/278022460.db2.gz WNLXHAIVUGPIHK-MRXNPFEDSA-N 0 0 313.309 3.455 50 5 DGBARN COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000060163 431117215 /nfs/dbraw/zinc/11/72/15/431117215.db2.gz HHFJJGDUEXTJBJ-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN CC1CC[NH+](Cc2cc([N+](=O)[O-])c([O-])c3ncccc23)CC1 ZINC000000060893 431117610 /nfs/dbraw/zinc/11/76/10/431117610.db2.gz SAJJSRIZJCOPNO-UHFFFAOYSA-N 0 0 301.346 3.081 50 5 biogenic DGBARN Cc1ccccc1-n1c(=O)c2cc([N+](=O)[O-])ccc2nc1CF ZINC000001848294 278946984 /nfs/dbraw/zinc/94/69/84/278946984.db2.gz YLWBZTIVGRUKCL-UHFFFAOYSA-N 0 0 313.288 3.072 50 5 DGBARN CCOC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103237 431126083 /nfs/dbraw/zinc/12/60/83/431126083.db2.gz DKAUIVVHDYMSIO-UHFFFAOYSA-N 0 0 314.297 3.024 50 5 DGBARN Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1[N+](=O)[O-] ZINC000000130293 431131954 /nfs/dbraw/zinc/13/19/54/431131954.db2.gz DNAQWVCDMRLUOD-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN Cc1ccc(NCn2c3ccc([N+](=O)[O-])cc3oc2=O)c(C)c1 ZINC000000175279 431139458 /nfs/dbraw/zinc/13/94/58/431139458.db2.gz WINYRCCHZCJBTH-UHFFFAOYSA-N 0 0 313.313 3.189 50 5 biogenic DGBARN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 ZINC000000189305 431142155 /nfs/dbraw/zinc/14/21/55/431142155.db2.gz IYYZQBYMUSUVPU-NXEZZACHSA-N 0 0 320.370 3.059 50 5 DGBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000000179918 431141580 /nfs/dbraw/zinc/14/15/80/431141580.db2.gz JXENKSOSKYVGMF-HNNXBMFYSA-N 0 0 300.339 3.373 50 5 DGBARN CN(C)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000306095 431162124 /nfs/dbraw/zinc/16/21/24/431162124.db2.gz BEENXQLLXJIQML-UHFFFAOYSA-N 0 0 300.314 3.018 50 5 DGBARN Cc1ccccc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000000306157 431162355 /nfs/dbraw/zinc/16/23/55/431162355.db2.gz MNPMWWRREXSOCS-UHFFFAOYSA-N 0 0 301.298 3.025 50 5 DGBARN Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000000303613 431163188 /nfs/dbraw/zinc/16/31/88/431163188.db2.gz HVEUPMXBYQTLGZ-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000312994 431166018 /nfs/dbraw/zinc/16/60/18/431166018.db2.gz WCXWRQHRYBYAMT-LBPRGKRZSA-N 0 0 313.309 3.331 50 5 DGBARN CCn1ncc(Cl)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000355575 431170686 /nfs/dbraw/zinc/17/06/86/431170686.db2.gz ZKPJMKXEXOVKKM-UHFFFAOYSA-N 0 0 308.725 3.025 50 5 DGBARN CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000358651 431171732 /nfs/dbraw/zinc/17/17/32/431171732.db2.gz HWJNYRAMQKNSCR-UHFFFAOYSA-N 0 0 314.341 3.483 50 5 DGBARN CC(=O)Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000447642 431183498 /nfs/dbraw/zinc/18/34/98/431183498.db2.gz KGTNXADZMQQPRJ-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])n1cnc2ccccc21 ZINC000000461634 431188597 /nfs/dbraw/zinc/18/85/97/431188597.db2.gz LUGHUJKJOLQBQS-UHFFFAOYSA-N 0 0 301.689 3.286 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1F ZINC000000460728 431189232 /nfs/dbraw/zinc/18/92/32/431189232.db2.gz ZABGQTSNYLKXBX-NSHDSACASA-N 0 0 318.304 3.448 50 5 DGBARN O=C1CSc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000000480231 431191349 /nfs/dbraw/zinc/19/13/49/431191349.db2.gz QRGSMOZMYJBEOR-UHFFFAOYSA-N 0 0 300.339 3.234 50 5 DGBARN CCN(c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000304852 431161123 /nfs/dbraw/zinc/16/11/23/431161123.db2.gz CGFZSNBXMBKUQR-UHFFFAOYSA-N 0 0 320.370 3.118 50 5 DGBARN C/C=C(\C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000000618175 431207272 /nfs/dbraw/zinc/20/72/72/431207272.db2.gz CNKMZHICDBLYLH-FPYGCLRLSA-N 0 0 304.331 3.122 50 5 DGBARN CN(C)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000621254 431207795 /nfs/dbraw/zinc/20/77/95/431207795.db2.gz QDGJIVPMCVFBGN-UHFFFAOYSA-N 0 0 316.386 3.470 50 5 DGBARN CC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000858600 431210313 /nfs/dbraw/zinc/21/03/13/431210313.db2.gz HPAKIKARKFBTOQ-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN Cc1cc(OCC(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] ZINC000001284542 431218788 /nfs/dbraw/zinc/21/87/88/431218788.db2.gz FJSPFYFBZPOEJA-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN O=[N+]([O-])c1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000001313773 431219402 /nfs/dbraw/zinc/21/94/02/431219402.db2.gz DLOMOIFOKNNPRG-UHFFFAOYSA-N 0 0 312.241 3.220 50 5 DGBARN Cc1ccc(-n2c(C)nc3oc4ccccc4c(=O)c3c2=O)cc1 ZINC000002224828 431249933 /nfs/dbraw/zinc/24/99/33/431249933.db2.gz WVNMAZCHHQLWIY-UHFFFAOYSA-N 0 0 318.332 3.109 50 5 DGBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000002493785 431255759 /nfs/dbraw/zinc/25/57/59/431255759.db2.gz DYDBCOJIWRWNKU-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN Cc1ccc(SCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002983587 431278510 /nfs/dbraw/zinc/27/85/10/431278510.db2.gz DQHMYHSWRZCCNJ-UHFFFAOYSA-N 0 0 316.382 3.425 50 5 DGBARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000071857389 431302403 /nfs/dbraw/zinc/30/24/03/431302403.db2.gz NUTOLWGTDPSWAI-SSDOTTSWSA-N 0 0 307.281 3.081 50 5 DGBARN O=C1Nc2ccccc2N(O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000005100583 431306805 /nfs/dbraw/zinc/30/68/05/431306805.db2.gz HMLSHJDWTMZFHY-UHFFFAOYSA-N 0 0 320.692 3.411 50 5 DGBARN O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccccn3)n2)cs1 ZINC000071910014 431312692 /nfs/dbraw/zinc/31/26/92/431312692.db2.gz ONSGGDDZRZPHAV-UHFFFAOYSA-N 0 0 319.371 3.129 50 5 DGBARN O=C(CN1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002629486 431260570 /nfs/dbraw/zinc/26/05/70/431260570.db2.gz GJMDAJHHFAAKPL-UHFFFAOYSA-N 0 0 311.769 3.063 50 5 DGBARN CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002873001 431274192 /nfs/dbraw/zinc/27/41/92/431274192.db2.gz LQHXZSIKVOJCQA-UHFFFAOYSA-N 0 0 314.407 3.088 50 5 DGBARN COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000007924776 431371115 /nfs/dbraw/zinc/37/11/15/431371115.db2.gz MZCCZAZRUOSDIB-JTQLQIEISA-N 0 0 318.304 3.234 50 5 DGBARN Cc1csc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000006879059 431322208 /nfs/dbraw/zinc/32/22/08/431322208.db2.gz AVCHTQOUPJKUJJ-UHFFFAOYSA-N 0 0 309.372 3.091 50 5 DGBARN CCOc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000007779347 431361358 /nfs/dbraw/zinc/36/13/58/431361358.db2.gz VJRAIVMSTPNVAR-UHFFFAOYSA-N 0 0 314.341 3.266 50 5 DGBARN Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000007771295 431362540 /nfs/dbraw/zinc/36/25/40/431362540.db2.gz DHIIEGOOJGJZRQ-UHFFFAOYSA-N 0 0 305.721 3.391 50 5 DGBARN Cc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000008193408 431383629 /nfs/dbraw/zinc/38/36/29/431383629.db2.gz DCHKSPYZMBBZSY-UHFFFAOYSA-N 0 0 303.293 3.093 50 5 DGBARN C[C@@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000008193954 431385323 /nfs/dbraw/zinc/38/53/23/431385323.db2.gz IMHJTFAIHBNLDD-LLVKDONJSA-N 0 0 317.320 3.023 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc(F)c1 ZINC000008748784 431412659 /nfs/dbraw/zinc/41/26/59/431412659.db2.gz CMWJLRPNAUBNLO-VMPITWQZSA-N 0 0 316.288 3.394 50 5 DGBARN CC(C)(C)Nc1nnc(Sc2ncccc2[N+](=O)[O-])s1 ZINC000009647531 431439188 /nfs/dbraw/zinc/43/91/88/431439188.db2.gz XBFMDBQIKBYERR-UHFFFAOYSA-N 0 0 311.392 3.203 50 5 DGBARN Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000010874308 431470310 /nfs/dbraw/zinc/47/03/10/431470310.db2.gz WCQBOEPEFWINRO-UHFFFAOYSA-N 0 0 306.705 3.187 50 5 DGBARN CC(C)c1ccccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000012527928 431512331 /nfs/dbraw/zinc/51/23/31/431512331.db2.gz PBYNHFOEVYDHKZ-UHFFFAOYSA-N 0 0 313.357 3.429 50 5 DGBARN O=c1c2ccccc2nc2n1CC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000033750569 280392406 /nfs/dbraw/zinc/39/24/06/280392406.db2.gz XIQBVHOTWVNRBA-RAXLEYEMSA-N 0 0 319.320 3.249 50 5 DGBARN C[C@@H](Cc1cccs1)Nc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025574842 431661154 /nfs/dbraw/zinc/66/11/54/431661154.db2.gz ITXKAJAHGDGKKF-VIFPVBQESA-N 0 0 319.390 3.064 50 5 DGBARN COC(=O)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026209664 431672553 /nfs/dbraw/zinc/67/25/53/431672553.db2.gz QPDSQJGOLBRMJY-UHFFFAOYSA-N 0 0 314.341 3.013 50 5 DGBARN CCCO[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000078671183 431694692 /nfs/dbraw/zinc/69/46/92/431694692.db2.gz CQIKALJMOOEVQY-CYBMUJFWSA-N 0 0 306.362 3.016 50 5 DGBARN O=[N+]([O-])c1cccc(OCc2noc(-c3ccsc3)n2)c1 ZINC000031676927 431764145 /nfs/dbraw/zinc/76/41/45/431764145.db2.gz FJZJEFVBVWTTKJ-UHFFFAOYSA-N 0 0 303.299 3.285 50 5 DGBARN C[C@H](C1CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032907034 431798055 /nfs/dbraw/zinc/79/80/55/431798055.db2.gz PBJILSNIRKMWRJ-GFCCVEGCSA-N 0 0 317.389 3.066 50 5 DGBARN Cc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000100596368 280861228 /nfs/dbraw/zinc/86/12/28/280861228.db2.gz RAEABGVBEUBZBQ-KBPBESRZSA-N 0 0 314.341 3.139 50 5 DGBARN COc1ncccc1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000045026539 431880859 /nfs/dbraw/zinc/88/08/59/431880859.db2.gz ZNQXOXZAPREVEQ-UHFFFAOYSA-N 0 0 310.313 3.159 50 5 DGBARN O=[N+]([O-])c1ccc(-c2ncn(Cc3nc4ccccc4o3)n2)cc1 ZINC000095965160 431928908 /nfs/dbraw/zinc/92/89/08/431928908.db2.gz KYSVXFQAQNFXET-UHFFFAOYSA-N 0 0 321.296 3.043 50 5 DGBARN COc1ccc(NC(=O)CSc2ccoc2C)c([N+](=O)[O-])c1 ZINC000096003395 431933484 /nfs/dbraw/zinc/93/34/84/431933484.db2.gz PJAJYPUEOATJBA-UHFFFAOYSA-N 0 0 322.342 3.236 50 5 DGBARN CC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000096416622 431946977 /nfs/dbraw/zinc/94/69/77/431946977.db2.gz PEUHPULHNFSYTA-HNNXBMFYSA-N 0 0 319.386 3.415 50 5 DGBARN CN(CCc1cccs1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000096439139 431949348 /nfs/dbraw/zinc/94/93/48/431949348.db2.gz QIMRIQOOEIPOGK-UHFFFAOYSA-N 0 0 319.386 3.040 50 5 DGBARN CC[C@H](NC(=O)Cc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000096454688 431951351 /nfs/dbraw/zinc/95/13/51/431951351.db2.gz CWSZIRGJIAIWGG-INIZCTEOSA-N 0 0 313.357 3.108 50 5 DGBARN CC(C)N(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080984 431959137 /nfs/dbraw/zinc/95/91/37/431959137.db2.gz HEVSWYTWWZAROL-UHFFFAOYSA-N 0 0 314.345 3.432 50 5 DGBARN CCOc1cccc(N2CCC(c3cc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000097108535 431961109 /nfs/dbraw/zinc/96/11/09/431961109.db2.gz DPHQAYPMWQCGME-UHFFFAOYSA-N 0 0 316.361 3.101 50 5 DGBARN Cc1csc([C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000097112818 431961571 /nfs/dbraw/zinc/96/15/71/431961571.db2.gz GNSLLDRJBPEMPW-SECBINFHSA-N 0 0 320.374 3.285 50 5 DGBARN Cn1c(CNc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000127000598 431962267 /nfs/dbraw/zinc/96/22/67/431962267.db2.gz AWQRZIUVABUBQY-UHFFFAOYSA-N 0 0 321.768 3.256 50 5 DGBARN O=[N+]([O-])c1cccc(CNc2cccc(Br)n2)c1 ZINC000097162780 431963112 /nfs/dbraw/zinc/96/31/12/431963112.db2.gz AHTCWMAQEDSJBT-UHFFFAOYSA-N 0 0 308.135 3.364 50 5 DGBARN CNC(=O)c1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000053549037 431963736 /nfs/dbraw/zinc/96/37/36/431963736.db2.gz GDGHDJJHPUQVIQ-UHFFFAOYSA-N 0 0 312.325 3.235 50 5 DGBARN CS[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097370727 431967870 /nfs/dbraw/zinc/96/78/70/431967870.db2.gz QSJCZKCMTCOEAQ-SSDOTTSWSA-N 0 0 303.771 3.121 50 5 DGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F ZINC000054216502 431968607 /nfs/dbraw/zinc/96/86/07/431968607.db2.gz MIFBJPAYGIRIRF-VIFPVBQESA-N 0 0 322.267 3.279 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2oc1=O ZINC000000130290 281018988 /nfs/dbraw/zinc/01/89/88/281018988.db2.gz UQHCNKPVHGPECJ-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccccc1 ZINC000184458921 432393766 /nfs/dbraw/zinc/39/37/66/432393766.db2.gz WCELTSAIOQPIID-BZNIZROVSA-N 0 0 311.341 3.010 50 5 DGBARN CC(=O)c1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000253422857 432395311 /nfs/dbraw/zinc/39/53/11/432395311.db2.gz DDMJFUIYZGQFDU-XJKSGUPXSA-N 0 0 306.362 3.413 50 5 DGBARN CC(=O)c1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000253422854 432396487 /nfs/dbraw/zinc/39/64/87/432396487.db2.gz DDMJFUIYZGQFDU-CZUORRHYSA-N 0 0 306.362 3.413 50 5 DGBARN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000241316860 432816039 /nfs/dbraw/zinc/81/60/39/432816039.db2.gz LVNVKKGPPGKLRY-CABCVRRESA-N 0 0 308.403 3.160 50 5 DGBARN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000241161285 432815487 /nfs/dbraw/zinc/81/54/87/432815487.db2.gz JZQZFHGAUSFCLY-LNSITVRQSA-N 0 0 308.353 3.254 50 5 DGBARN CCc1onc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163162260 432844881 /nfs/dbraw/zinc/84/48/81/432844881.db2.gz RWOXNUNVQRAPQU-UHFFFAOYSA-N 0 0 304.306 3.406 50 5 DGBARN C[C@@H]1c2ccsc2CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000007829295 289096527 /nfs/dbraw/zinc/09/65/27/289096527.db2.gz BHZBNRMMVLWJLJ-SNVBAGLBSA-N 0 0 302.355 3.416 50 5 DGBARN COc1cc(Cn2cnc3ccccc32)c([N+](=O)[O-])cc1F ZINC000183939051 323351165 /nfs/dbraw/zinc/35/11/65/323351165.db2.gz UYRJMZSUDLOLMN-UHFFFAOYSA-N 0 0 301.277 3.141 50 5 DGBARN Cc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000451033 331462606 /nfs/dbraw/zinc/46/26/06/331462606.db2.gz JWAQOUCUQXAFDG-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN CCOc1c(Br)cc(/C=C\[N+](=O)[O-])cc1OC ZINC000005552223 332989447 /nfs/dbraw/zinc/98/94/47/332989447.db2.gz SUUZKWDKJAWKJT-PLNGDYQASA-N 0 0 302.124 3.104 50 5 DGBARN CC(C)(C)NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000033412963 620685599 /nfs/dbraw/zinc/68/55/99/620685599.db2.gz BSNWGLAZGQCQAV-DAXSKMNVSA-N 0 0 314.288 3.124 50 5 DGBARN O=Cc1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000313433 658385110 /nfs/dbraw/zinc/38/51/10/658385110.db2.gz WJVMUGOMVRZBIT-UHFFFAOYSA-N 0 0 305.673 3.280 50 5 DGBARN COc1ccc(OCc2nc(C(C)(C)C)co2)c([N+](=O)[O-])c1 ZINC000952991656 662210733 /nfs/dbraw/zinc/21/07/33/662210733.db2.gz CTJYJHBFTWHQJI-UHFFFAOYSA-N 0 0 306.318 3.468 50 5 DGBARN Cn1cc(-c2cccc(CNc3cc(N)ccc3[N+](=O)[O-])c2)cn1 ZINC000328586306 231229958 /nfs/dbraw/zinc/22/99/58/231229958.db2.gz WTGLOVSGJTUVHB-UHFFFAOYSA-N 0 0 323.356 3.190 50 5 DGBARN COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1ccsc1 ZINC000170649981 197799491 /nfs/dbraw/zinc/79/94/91/197799491.db2.gz LFEKBGDPOUEIPW-HNNXBMFYSA-N 0 0 322.386 3.122 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccnc2)nc1 ZINC000080542720 192165977 /nfs/dbraw/zinc/16/59/77/192165977.db2.gz GCBJLNNATHOJRL-UHFFFAOYSA-N 0 0 309.329 3.096 50 5 DGBARN Cc1nc(NC(=O)c2cccc(F)c2Cl)ccc1[N+](=O)[O-] ZINC000084028814 192396497 /nfs/dbraw/zinc/39/64/97/192396497.db2.gz OKMBAHSSRPTPHJ-UHFFFAOYSA-N 0 0 309.684 3.343 50 5 DGBARN CN(C[C@@H]1CCCO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000033464 180672582 /nfs/dbraw/zinc/67/25/82/180672582.db2.gz KBXUAMHHJMNMHD-ZDUSSCGKSA-N 0 0 319.386 3.334 50 5 DGBARN O=[N+]([O-])c1ccc(C2(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000000116147 180697452 /nfs/dbraw/zinc/69/74/52/180697452.db2.gz WSDXHXJGXJAOPI-UHFFFAOYSA-N 0 0 303.339 3.058 50 5 DGBARN Cc1nn([C@@H](C)c2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] ZINC000000386263 180773926 /nfs/dbraw/zinc/77/39/26/180773926.db2.gz BJGQBPJSAYVKOO-NSHDSACASA-N 0 0 313.317 3.067 50 5 DGBARN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000000440469 180791327 /nfs/dbraw/zinc/79/13/27/180791327.db2.gz QGKRTRUEIUEKNI-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000000472009 180801395 /nfs/dbraw/zinc/80/13/95/180801395.db2.gz KYWAIBLUSKFSAM-JTQLQIEISA-N 0 0 314.297 3.066 50 5 DGBARN C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000860045 180836541 /nfs/dbraw/zinc/83/65/41/180836541.db2.gz OKMRBROQHLYMHT-AWEZNQCLSA-N 0 0 312.369 3.275 50 5 DGBARN O=[N+]([O-])c1cccc(CSc2nnc(-c3cccnc3)o2)c1 ZINC000001378760 180857040 /nfs/dbraw/zinc/85/70/40/180857040.db2.gz BXGYCXZZHDACPX-UHFFFAOYSA-N 0 0 314.326 3.332 50 5 DGBARN O=C(Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Cl ZINC000002570780 180936515 /nfs/dbraw/zinc/93/65/15/180936515.db2.gz PFBJFWKSBNTCTB-UHFFFAOYSA-N 0 0 320.688 3.229 50 5 DGBARN C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000002616648 180939406 /nfs/dbraw/zinc/93/94/06/180939406.db2.gz WKMQHYZKULFPJS-SMDDNHRTSA-N 0 0 308.403 3.382 50 5 DGBARN O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003152017 180987065 /nfs/dbraw/zinc/98/70/65/180987065.db2.gz VILQMPIMEJDIEL-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN CCOc1ccc(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003900183 181055236 /nfs/dbraw/zinc/05/52/36/181055236.db2.gz BPHFACRORNCQRT-UHFFFAOYSA-N 0 0 304.277 3.385 50 5 DGBARN Nc1ncnc(Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000004059609 181068310 /nfs/dbraw/zinc/06/83/10/181068310.db2.gz PBBMRWMLDHRDLY-UHFFFAOYSA-N 0 0 301.089 3.066 50 5 DGBARN CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004287642 181093221 /nfs/dbraw/zinc/09/32/21/181093221.db2.gz UNNMTKGKCWNQNU-UHFFFAOYSA-N 0 0 322.361 3.373 50 5 DGBARN COc1cccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c1 ZINC000004499076 181116002 /nfs/dbraw/zinc/11/60/02/181116002.db2.gz AREUCRAMOVEHKV-UHFFFAOYSA-N 0 0 312.281 3.453 50 5 DGBARN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1cccc(F)c1 ZINC000004507674 181117825 /nfs/dbraw/zinc/11/78/25/181117825.db2.gz SLNIZEHBDDENED-LCYFTJDESA-N 0 0 312.256 3.078 50 5 DGBARN CCCC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004800273 181153359 /nfs/dbraw/zinc/15/33/59/181153359.db2.gz LQULIEUEFOSNRD-UHFFFAOYSA-N 0 0 321.211 3.260 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2 ZINC000004892187 181168412 /nfs/dbraw/zinc/16/84/12/181168412.db2.gz CHYBZIJAZKEUBZ-UHFFFAOYSA-N 0 0 315.285 3.010 50 5 DGBARN CCc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004869370 181166346 /nfs/dbraw/zinc/16/63/46/181166346.db2.gz JIJWOSNYCBAZLH-UHFFFAOYSA-N 0 0 300.314 3.418 50 5 DGBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCCC1 ZINC000004914421 181172225 /nfs/dbraw/zinc/17/22/25/181172225.db2.gz OQSNYOIYICYGSO-UHFFFAOYSA-N 0 0 317.389 3.211 50 5 DGBARN Cc1onc(C(=O)Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000004937311 181175689 /nfs/dbraw/zinc/17/56/89/181175689.db2.gz TUEFTNLUYGCRCH-UHFFFAOYSA-N 0 0 315.207 3.162 50 5 DGBARN CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000005107295 181204263 /nfs/dbraw/zinc/20/42/63/181204263.db2.gz FNUOZJFJSUIVSB-UHFFFAOYSA-N 0 0 316.313 3.254 50 5 DGBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1 ZINC000005109296 181204512 /nfs/dbraw/zinc/20/45/12/181204512.db2.gz XWJPJELEYACSJF-CYBMUJFWSA-N 0 0 318.373 3.369 50 5 DGBARN COc1ccccc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000005228120 181219237 /nfs/dbraw/zinc/21/92/37/181219237.db2.gz OLGXFUWNWQLRME-UHFFFAOYSA-N 0 0 301.298 3.269 50 5 DGBARN COc1ccc(CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005674117 181270844 /nfs/dbraw/zinc/27/08/44/181270844.db2.gz SBGFZGVILKLTID-UHFFFAOYSA-N 0 0 301.298 3.003 50 5 DGBARN C[C@@H](c1cnccn1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000170596963 432073820 /nfs/dbraw/zinc/07/38/20/432073820.db2.gz LQCLKXUTEZZCQU-JTQLQIEISA-N 0 0 306.753 3.231 50 5 DGBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000006083672 181311132 /nfs/dbraw/zinc/31/11/32/181311132.db2.gz UVRASSNSMIKKOU-JTQLQIEISA-N 0 0 315.285 3.245 50 5 DGBARN CSCCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281363405 216249712 /nfs/dbraw/zinc/24/97/12/216249712.db2.gz SWSLUUQUAGCEPB-UHFFFAOYSA-N 0 0 302.783 3.073 50 5 DGBARN C[C@@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000195531228 201399962 /nfs/dbraw/zinc/39/99/62/201399962.db2.gz RHTOUMTZNDHURW-JMSVASOKSA-N 0 0 306.362 3.120 50 5 DGBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000006585964 181358011 /nfs/dbraw/zinc/35/80/11/181358011.db2.gz FXJXNSIDEXKEBF-JTQLQIEISA-N 0 0 315.285 3.245 50 5 DGBARN O=C(Nc1ncccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000006816159 181394258 /nfs/dbraw/zinc/39/42/58/181394258.db2.gz UMOZKSTXMPJJLA-UHFFFAOYSA-N 0 0 311.341 3.440 50 5 DGBARN Cc1c(C(=O)NCC(C)(C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000091857591 193118634 /nfs/dbraw/zinc/11/86/34/193118634.db2.gz OSMANEKGNFABSC-UHFFFAOYSA-N 0 0 313.357 3.006 50 5 DGBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000003895516 283913682 /nfs/dbraw/zinc/91/36/82/283913682.db2.gz WHDVTOHVLBQCAP-UHFFFAOYSA-N 0 0 300.358 3.293 50 5 DGBARN O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)cc1C(F)(F)F ZINC000252700893 202871334 /nfs/dbraw/zinc/87/13/34/202871334.db2.gz BMZBLAAHJGEMLV-CZMCAQCFSA-N 0 0 304.268 3.329 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(C1=CCCCC1)C1CC1 ZINC000007339212 181455523 /nfs/dbraw/zinc/45/55/23/181455523.db2.gz WMFFUCRSBBMBEC-UHFFFAOYSA-N 0 0 316.357 3.423 50 5 DGBARN COCC1(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC000282242498 216850815 /nfs/dbraw/zinc/85/08/15/216850815.db2.gz AQDLOASIILUXSI-UHFFFAOYSA-N 0 0 321.377 3.150 50 5 DGBARN CN(Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000096453913 193654202 /nfs/dbraw/zinc/65/42/02/193654202.db2.gz IANHLYJQJVYRFM-JOCHJYFZSA-N 0 0 322.361 3.108 50 5 DGBARN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000008172502 181532434 /nfs/dbraw/zinc/53/24/34/181532434.db2.gz XPRIQTAAJIGAIA-JTQLQIEISA-N 0 0 315.329 3.253 50 5 DGBARN O=C(NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016009507 182028510 /nfs/dbraw/zinc/02/85/10/182028510.db2.gz XKIHQOCTZNVLOD-UHFFFAOYSA-N 0 0 320.732 3.057 50 5 DGBARN O=[N+]([O-])c1ccccc1NCc1ccc(Cn2cccn2)cc1 ZINC000016738591 182059633 /nfs/dbraw/zinc/05/96/33/182059633.db2.gz ZWNBDPSWWYKHSL-UHFFFAOYSA-N 0 0 308.341 3.452 50 5 DGBARN O=C(NCCc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000018177617 182096939 /nfs/dbraw/zinc/09/69/39/182096939.db2.gz ALTHWJUMDGLZDU-UHFFFAOYSA-N 0 0 303.293 3.098 50 5 DGBARN COc1ccc(NC(=O)c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000019160155 182106166 /nfs/dbraw/zinc/10/61/66/182106166.db2.gz XXJMLYSIGCXEQU-UHFFFAOYSA-N 0 0 308.240 3.134 50 5 DGBARN Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 ZINC000020444591 182217819 /nfs/dbraw/zinc/21/78/19/182217819.db2.gz KXNOTNFTDYFDHS-XHBSWPGZSA-N 0 0 320.389 3.225 50 5 DGBARN Cc1ccc([N+](=O)[O-])c2c1[C@H](N1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 ZINC000020444598 182217959 /nfs/dbraw/zinc/21/79/59/182217959.db2.gz KXNOTNFTDYFDHS-HSMVNMDESA-N 0 0 320.389 3.225 50 5 DGBARN Cc1c(C(=O)N(C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000022373338 182320320 /nfs/dbraw/zinc/32/03/20/182320320.db2.gz DJJXVJDVAWIIMF-UHFFFAOYSA-N 0 0 302.305 3.315 50 5 DGBARN Cc1ccccc1[C@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000024060926 182374499 /nfs/dbraw/zinc/37/44/99/182374499.db2.gz KCAMHPGYOGEUGF-LBPRGKRZSA-N 0 0 324.340 3.084 50 5 DGBARN COc1ccc(Nc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000024213935 182376504 /nfs/dbraw/zinc/37/65/04/182376504.db2.gz KAMHLDZZZFWJQI-UHFFFAOYSA-N 0 0 301.302 3.305 50 5 DGBARN CC(=O)c1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000101620471 193828426 /nfs/dbraw/zinc/82/84/26/193828426.db2.gz LJINAQGFKNXZLI-OBGWFSINSA-N 0 0 324.292 3.482 50 5 DGBARN C[C@H](c1ccccc1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040079782 183031987 /nfs/dbraw/zinc/03/19/87/183031987.db2.gz FMQMZCTYBBTCNL-LLVKDONJSA-N 0 0 324.340 3.304 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCCCC1 ZINC000040095098 183033391 /nfs/dbraw/zinc/03/33/91/183033391.db2.gz QPDLWWSKNDQFIL-UHFFFAOYSA-N 0 0 307.350 3.400 50 5 DGBARN Cc1nc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000051316141 183822574 /nfs/dbraw/zinc/82/25/74/183822574.db2.gz ADRUVAJFPUSJPE-UHFFFAOYSA-N 0 0 306.347 3.024 50 5 DGBARN CCONC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000053720221 183911395 /nfs/dbraw/zinc/91/13/95/183911395.db2.gz UEFDQZIQTUZJET-UHFFFAOYSA-N 0 0 310.693 3.190 50 5 DGBARN CCOc1nnc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000058183048 184085415 /nfs/dbraw/zinc/08/54/15/184085415.db2.gz UIXDEPTWSRGPAB-SNVBAGLBSA-N 0 0 322.390 3.038 50 5 DGBARN COc1ccc(SCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000059445392 184139039 /nfs/dbraw/zinc/13/90/39/184139039.db2.gz KRJROHYAZWCYPP-UHFFFAOYSA-N 0 0 318.354 3.334 50 5 DGBARN O=[N+]([O-])c1ccc(NN2CCCCC2)c(Br)c1 ZINC000148245583 285134982 /nfs/dbraw/zinc/13/49/82/285134982.db2.gz VWTKVCJPUOVYFJ-UHFFFAOYSA-N 0 0 300.156 3.170 50 5 DGBARN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000120495920 195178180 /nfs/dbraw/zinc/17/81/80/195178180.db2.gz CYAIYJAKRUAPTI-ABAIWWIYSA-N 0 0 312.329 3.215 50 5 DGBARN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000120496073 195178759 /nfs/dbraw/zinc/17/87/59/195178759.db2.gz CYAIYJAKRUAPTI-NHYWBVRUSA-N 0 0 312.329 3.215 50 5 DGBARN COc1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471219 256513117 /nfs/dbraw/zinc/51/31/17/256513117.db2.gz QACFMIWOMMCOAL-GFCCVEGCSA-N 0 0 314.341 3.023 50 5 DGBARN CCN(Cc1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000069620540 184826073 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O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)c1 ZINC000101079468 193807356 /nfs/dbraw/zinc/80/73/56/193807356.db2.gz OFEBIQCKJGENBA-INIZCTEOSA-N 0 0 319.324 3.242 50 5 DGBARN O=C(Cn1nccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000047169426 183582459 /nfs/dbraw/zinc/58/24/59/183582459.db2.gz IEJWSUMMGJIBEY-UHFFFAOYSA-N 0 0 319.320 3.245 50 5 DGBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C1CCCC1 ZINC000056033666 184002926 /nfs/dbraw/zinc/00/29/26/184002926.db2.gz ASJLPJIFRINTDC-OAHLLOKOSA-N 0 0 302.374 3.319 50 5 DGBARN O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000057839696 184056324 /nfs/dbraw/zinc/05/63/24/184056324.db2.gz UEMKQWUOGSGBNP-UHFFFAOYSA-N 0 0 324.336 3.230 50 5 DGBARN O=[N+]([O-])c1ccc(-c2csc(N3CCSCC3)n2)cc1 ZINC000058424209 184116561 /nfs/dbraw/zinc/11/65/61/184116561.db2.gz LAFICBMZTCXTHE-UHFFFAOYSA-N 0 0 307.400 3.272 50 5 DGBARN O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1 ZINC000036329029 285146257 /nfs/dbraw/zinc/14/62/57/285146257.db2.gz 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292129303 /nfs/dbraw/zinc/12/93/03/292129303.db2.gz QEXWFFYKFXBJJJ-UHFFFAOYSA-N 0 0 320.389 3.068 50 5 DGBARN O=[N+]([O-])c1ccccc1SNCc1cn2ccccc2n1 ZINC000005387553 400087562 /nfs/dbraw/zinc/08/75/62/400087562.db2.gz MUZOBUSDUINBSP-UHFFFAOYSA-N 0 0 300.343 3.039 50 5 DGBARN O=[N+]([O-])c1cnccc1N1CC[C@H](COCc2ccccc2)C1 ZINC000076063766 400630731 /nfs/dbraw/zinc/63/07/31/400630731.db2.gz VLMKJOLQEHYHNB-HNNXBMFYSA-N 0 0 313.357 3.033 50 5 DGBARN CC(C)(C)[C@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000078821730 400828488 /nfs/dbraw/zinc/82/84/88/400828488.db2.gz CACGSWUJHZHHPS-NSHDSACASA-N 0 0 317.183 3.176 50 5 DGBARN COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])OCC2 ZINC000006668135 286260141 /nfs/dbraw/zinc/26/01/41/286260141.db2.gz CBQUSUJZWFYJKN-QGZVFWFLSA-N 0 0 315.325 3.274 50 5 biogenic,in-vitro DGBARN COc1ccccc1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000019880354 286495519 /nfs/dbraw/zinc/49/55/19/286495519.db2.gz KUYHODCSVOHJGX-UHFFFAOYSA-N 0 0 313.357 3.382 50 5 DGBARN O=C(CSc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000046136261 226799932 /nfs/dbraw/zinc/79/99/32/226799932.db2.gz XELIUXIRKBMHFB-UHFFFAOYSA-N 0 0 302.355 3.003 50 5 DGBARN C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000078148795 226837746 /nfs/dbraw/zinc/83/77/46/226837746.db2.gz MFQGEEGZTLTQCK-JTQLQIEISA-N 0 0 302.355 3.349 50 5 DGBARN CN(C)c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000001508522 276881234 /nfs/dbraw/zinc/88/12/34/276881234.db2.gz WHUXLXFQBIFQDD-UHFFFAOYSA-N 0 0 310.313 3.378 50 5 DGBARN C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000014183202 278351542 /nfs/dbraw/zinc/35/15/42/278351542.db2.gz SCRXHARRPXKWJM-UWVGGRQHSA-N 0 0 311.769 3.156 50 5 DGBARN Cc1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000065343 431117149 /nfs/dbraw/zinc/11/71/49/431117149.db2.gz FRINUUJETFQNSV-UHFFFAOYSA-N 0 0 315.354 3.030 50 5 DGBARN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000000103427 431126489 /nfs/dbraw/zinc/12/64/89/431126489.db2.gz 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/nfs/dbraw/zinc/14/21/61/431142161.db2.gz CBUUUUZPRNVAJF-UHFFFAOYSA-N 0 0 301.689 3.286 50 5 DGBARN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000000358143 431170213 /nfs/dbraw/zinc/17/02/13/431170213.db2.gz MPEZDYPJNPJYCX-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Br)o1 ZINC000000358733 431170744 /nfs/dbraw/zinc/17/07/44/431170744.db2.gz ZJEZKDKCYQOCAA-UHFFFAOYSA-N 0 0 312.075 3.170 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000000372637 431172843 /nfs/dbraw/zinc/17/28/43/431172843.db2.gz ICMLDGJMGPWOEB-GFCCVEGCSA-N 0 0 300.314 3.309 50 5 DGBARN CCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000373665 431173379 /nfs/dbraw/zinc/17/33/79/431173379.db2.gz PQQOBQDZIAAIFD-UHFFFAOYSA-N 0 0 304.277 3.385 50 5 DGBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000438156 431182541 /nfs/dbraw/zinc/18/25/41/431182541.db2.gz MNGJMZONDYCJSB-UHFFFAOYSA-N 0 0 320.688 3.229 50 5 DGBARN COc1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000444198 431182793 /nfs/dbraw/zinc/18/27/93/431182793.db2.gz NBFFXYSNRRTKBT-RUDMXATFSA-N 0 0 316.288 3.394 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccs1 ZINC000000473388 431190231 /nfs/dbraw/zinc/19/02/31/431190231.db2.gz BZCPCLHYUTUWQI-FNORWQNLSA-N 0 0 304.327 3.317 50 5 DGBARN Cc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)ncc1[N+](=O)[O-] ZINC000110682040 431191622 /nfs/dbraw/zinc/19/16/22/431191622.db2.gz CTWPYLBRQZVUNM-SMDDNHRTSA-N 0 0 319.386 3.326 50 5 DGBARN Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)c1 ZINC000000542370 431200234 /nfs/dbraw/zinc/20/02/34/431200234.db2.gz KKEXOUPYAPLPEM-UHFFFAOYSA-N 0 0 316.361 3.187 50 5 DGBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000000259036 431157337 /nfs/dbraw/zinc/15/73/37/431157337.db2.gz GWMMSTSFEZAKFT-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN Cc1cc(F)ccc1NCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000293181 431160822 /nfs/dbraw/zinc/16/08/22/431160822.db2.gz 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431228495 /nfs/dbraw/zinc/22/84/95/431228495.db2.gz NUWMYORLVFUAAR-JGVFFNPUSA-N 0 0 306.240 3.039 50 5 DGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccncc1 ZINC000069846008 431229650 /nfs/dbraw/zinc/22/96/50/431229650.db2.gz VJKGSQMIWXSKEX-ZDUSSCGKSA-N 0 0 313.357 3.142 50 5 DGBARN CCCCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000002879481 431276248 /nfs/dbraw/zinc/27/62/48/431276248.db2.gz PZZVNXRJYPJCHT-UHFFFAOYSA-N 0 0 320.374 3.350 50 5 DGBARN O=C(NCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002989537 431278328 /nfs/dbraw/zinc/27/83/28/431278328.db2.gz ZHVJTDKWJXLHMB-UHFFFAOYSA-N 0 0 322.723 3.360 50 5 DGBARN Cc1ccc(CNC(=O)CSc2ccsc2[N+](=O)[O-])cc1 ZINC000003030386 431281190 /nfs/dbraw/zinc/28/11/90/431281190.db2.gz WYEJYOUVKAGVQR-UHFFFAOYSA-N 0 0 322.411 3.373 50 5 DGBARN Nc1ncnc(N(c2ccccc2)C2CCCCC2)c1[N+](=O)[O-] ZINC000003912611 431293740 /nfs/dbraw/zinc/29/37/40/431293740.db2.gz IXHUUJFDOCSJDW-UHFFFAOYSA-N 0 0 313.361 3.438 50 5 DGBARN Cc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006389672 431314414 /nfs/dbraw/zinc/31/44/14/431314414.db2.gz AALPDWOMPFTYNS-UHFFFAOYSA-N 0 0 319.248 3.203 50 5 DGBARN CCc1ccc(OCc2nnc(SC)s2)c([N+](=O)[O-])c1 ZINC000071908702 431314848 /nfs/dbraw/zinc/31/48/48/431314848.db2.gz FLGYPAAWKRQTCE-UHFFFAOYSA-N 0 0 311.388 3.310 50 5 DGBARN Cc1nn(CC(=O)Nc2cccc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000002632344 431259819 /nfs/dbraw/zinc/25/98/19/431259819.db2.gz BWBRLJGFMBUQLB-UHFFFAOYSA-N 0 0 324.340 3.200 50 5 DGBARN CCCCN(CCCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002741689 431266436 /nfs/dbraw/zinc/26/64/36/431266436.db2.gz YCSFWZYDMYDWBW-UHFFFAOYSA-N 0 0 314.407 3.186 50 5 DGBARN O=[N+]([O-])c1ccc(OCc2nc(-c3cccs3)no2)cc1 ZINC000007168726 431336109 /nfs/dbraw/zinc/33/61/09/431336109.db2.gz VZCAGNCRXJVEDA-UHFFFAOYSA-N 0 0 303.299 3.285 50 5 DGBARN C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000008851694 431415786 /nfs/dbraw/zinc/41/57/86/431415786.db2.gz 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COC(=O)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000012082677 431491056 /nfs/dbraw/zinc/49/10/56/431491056.db2.gz FIAUQBNNHFFYSB-UHFFFAOYSA-N 0 0 324.296 3.068 50 5 DGBARN COC(=O)c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000012082673 431492315 /nfs/dbraw/zinc/49/23/15/431492315.db2.gz ILZORYMGEHCNBD-UHFFFAOYSA-N 0 0 324.296 3.068 50 5 DGBARN COc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000013468818 431558213 /nfs/dbraw/zinc/55/82/13/431558213.db2.gz BOZZUUVBRMTZCR-UHFFFAOYSA-N 0 0 303.343 3.412 50 5 DGBARN CN(C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl ZINC000013040582 431544399 /nfs/dbraw/zinc/54/43/99/431544399.db2.gz AFIMPOJEVQKSOV-CQSZACIVSA-N 0 0 320.780 3.358 50 5 DGBARN C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025424859 431656814 /nfs/dbraw/zinc/65/68/14/431656814.db2.gz CHVGYCIKMXOCBJ-JTQLQIEISA-N 0 0 303.293 3.173 50 5 DGBARN Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F ZINC000025167059 431648690 /nfs/dbraw/zinc/64/86/90/431648690.db2.gz 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Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000096413902 431946674 /nfs/dbraw/zinc/94/66/74/431946674.db2.gz WKAQIGGHHZJSNR-LLVKDONJSA-N 0 0 318.398 3.255 50 5 DGBARN Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000096413910 431946946 /nfs/dbraw/zinc/94/69/46/431946946.db2.gz UOKZOKSCZKBYIV-SNVBAGLBSA-N 0 0 304.371 3.326 50 5 DGBARN Cc1c(CNc2ccc(F)cc2OCCO)cccc1[N+](=O)[O-] ZINC000096427470 431948077 /nfs/dbraw/zinc/94/80/77/431948077.db2.gz BXVXAWZMYFETPT-UHFFFAOYSA-N 0 0 320.320 3.026 50 5 DGBARN CN1C(=O)c2ccccc2N[C@H]1/C=C\c1ccccc1[N+](=O)[O-] ZINC000096905010 431956605 /nfs/dbraw/zinc/95/66/05/431956605.db2.gz SWJGAKVTUYIBJG-BLIJAFNYSA-N 0 0 309.325 3.132 50 5 DGBARN C[C@H]1c2cccn2CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097035370 431956814 /nfs/dbraw/zinc/95/68/14/431956814.db2.gz CWQGPMFEFBIMBO-YXVBKTCISA-N 0 0 311.341 3.013 50 5 DGBARN COc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000097370217 431967867 /nfs/dbraw/zinc/96/78/67/431967867.db2.gz 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DGBARN Cn1c2ccc([N+](=O)[O-])cc2sc1=NC(=O)C1CCCCC1 ZINC000254288125 660441115 /nfs/dbraw/zinc/44/11/15/660441115.db2.gz BPWSYVDLQPACAI-UHFFFAOYSA-N 0 0 319.386 3.156 50 5 DGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C1CC1 ZINC000097004737 657582266 /nfs/dbraw/zinc/58/22/66/657582266.db2.gz YZAOSNVBJRZUEL-TWGQIWQCSA-N 0 0 312.325 3.392 50 5 DGBARN O=C(c1ccoc1C1CC1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC000585124456 1095023121 /nfs/dbraw/zinc/02/31/21/1095023121.db2.gz DRVGNQRPEJVIJZ-UHFFFAOYSA-N 0 0 316.288 3.407 50 5 DGBARN CC(C)(C)[C@@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000078821717 185115249 /nfs/dbraw/zinc/11/52/49/185115249.db2.gz CACGSWUJHZHHPS-LLVKDONJSA-N 0 0 317.183 3.176 50 5 DGBARN O=c1c([N+](=O)[O-])cccn1Cc1c(Cl)ccc2cccnc21 ZINC000078979201 185139122 /nfs/dbraw/zinc/13/91/22/185139122.db2.gz PDCWCYSMDZHZNN-UHFFFAOYSA-N 0 0 315.716 3.006 50 5 DGBARN Cc1cccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c21 ZINC000103129203 432003685 /nfs/dbraw/zinc/00/36/85/432003685.db2.gz 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Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000003832891 181047722 /nfs/dbraw/zinc/04/77/22/181047722.db2.gz KGHLCQBOJKOVFX-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN O=[N+]([O-])c1cc2c(cc1C[C@H]1CC1(Cl)Cl)OCCO2 ZINC000004006223 181061438 /nfs/dbraw/zinc/06/14/38/181061438.db2.gz USKADWBMQCFSSQ-QMMMGPOBSA-N 0 0 304.129 3.102 50 5 DGBARN CCCSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000004086606 181071410 /nfs/dbraw/zinc/07/14/10/181071410.db2.gz ACZFFLMERJRCPA-UHFFFAOYSA-N 0 0 324.387 3.201 50 5 DGBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000004078825 181070380 /nfs/dbraw/zinc/07/03/80/181070380.db2.gz QIQLBNLVCDJTJV-FNORWQNLSA-N 0 0 314.366 3.254 50 5 DGBARN CCc1ccccc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004218430 181085538 /nfs/dbraw/zinc/08/55/38/181085538.db2.gz IODORNAGXSLTMJ-UHFFFAOYSA-N 0 0 312.325 3.369 50 5 DGBARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000004588844 181127878 /nfs/dbraw/zinc/12/78/78/181127878.db2.gz 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O=[N+]([O-])c1ccc(CSc2n[nH]c(-c3ccco3)n2)cc1 ZINC000005731211 181277545 /nfs/dbraw/zinc/27/75/45/181277545.db2.gz WTKPWQTVKSARCV-UHFFFAOYSA-N 0 0 302.315 3.265 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC2)cs1 ZINC000089643158 192834484 /nfs/dbraw/zinc/83/44/84/192834484.db2.gz AZXAWOCCFVPDSG-UHFFFAOYSA-N 0 0 303.343 3.489 50 5 DGBARN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000006184745 181317962 /nfs/dbraw/zinc/31/79/62/181317962.db2.gz YZLRZWLUJYJSOR-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN COc1ccc(C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000006258837 181323524 /nfs/dbraw/zinc/32/35/24/181323524.db2.gz YPOVVSYTVVXZMA-UHFFFAOYSA-N 0 0 323.308 3.404 50 5 DGBARN COc1ccc([C@H](C)Nc2cc(N)ccc2[N+](=O)[O-])cc1F ZINC000193463749 201056464 /nfs/dbraw/zinc/05/64/64/201056464.db2.gz DZPJHLTULQIMOO-VIFPVBQESA-N 0 0 305.309 3.498 50 5 DGBARN COc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000006378434 181335781 /nfs/dbraw/zinc/33/57/81/181335781.db2.gz AYZOWDKTNOGTMC-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN COc1ccc(C(=O)Nc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000006647222 181364625 /nfs/dbraw/zinc/36/46/25/181364625.db2.gz URRLFHLYTAXZBO-UHFFFAOYSA-N 0 0 323.308 3.404 50 5 DGBARN COCCn1c(C)c(C)c2c3nc4ccccc4n3c(C)nc21 ZINC000006665436 181367104 /nfs/dbraw/zinc/36/71/04/181367104.db2.gz NYKPIKWMPMUAKH-UHFFFAOYSA-N 0 0 308.385 3.409 50 5 DGBARN CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000006701024 181373042 /nfs/dbraw/zinc/37/30/42/181373042.db2.gz LJAFTISHWSOXCT-UHFFFAOYSA-N 0 0 306.391 3.214 50 5 DGBARN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 ZINC000091505167 193066207 /nfs/dbraw/zinc/06/62/07/193066207.db2.gz KVEQHLYEFCZXBT-ZDUSSCGKSA-N 0 0 312.247 3.158 50 5 DGBARN COc1cccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000007141115 181441962 /nfs/dbraw/zinc/44/19/62/181441962.db2.gz NAIKQWPAFZRNPT-CMDGGOBGSA-N 0 0 313.309 3.360 50 5 DGBARN Cc1nn(Cc2cc(-c3cccs3)on2)c(C)c1[N+](=O)[O-] ZINC000007645698 181481596 /nfs/dbraw/zinc/48/15/96/181481596.db2.gz ILHMNAICDGVAMU-UHFFFAOYSA-N 0 0 304.331 3.173 50 5 DGBARN Cc1cc(NCc2nnc(C3CC3)n2C2CC2)ccc1[N+](=O)[O-] ZINC000095941773 193452642 /nfs/dbraw/zinc/45/26/42/193452642.db2.gz DHYVLDFXYJTAGH-UHFFFAOYSA-N 0 0 313.361 3.319 50 5 DGBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2o1 ZINC000096005858 193487998 /nfs/dbraw/zinc/48/79/98/193487998.db2.gz GQEDOYMRDAECFX-MRVPVSSYSA-N 0 0 302.242 3.247 50 5 DGBARN CC(C)(C)c1ccc(OCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000008752144 181583227 /nfs/dbraw/zinc/58/32/27/181583227.db2.gz LZOFUDCCMSFEIJ-UHFFFAOYSA-N 0 0 316.357 3.133 50 5 DGBARN COc1ccc(C(=O)[C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000010446386 181670168 /nfs/dbraw/zinc/67/01/68/181670168.db2.gz UMSDBLNFOGDMOB-JTQLQIEISA-N 0 0 319.288 3.393 50 5 DGBARN O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000004998360 284313938 /nfs/dbraw/zinc/31/39/38/284313938.db2.gz ZORCIVOIAYKGED-UHFFFAOYSA-N 0 0 315.329 3.430 50 5 DGBARN Cc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000015293554 181995055 /nfs/dbraw/zinc/99/50/55/181995055.db2.gz DFRGKDDPBDMIFZ-UHFFFAOYSA-N 0 0 317.320 3.401 50 5 DGBARN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000015696062 182012867 /nfs/dbraw/zinc/01/28/67/182012867.db2.gz GXZNNKUCBFRKKD-JTQLQIEISA-N 0 0 320.295 3.293 50 5 DGBARN CC[N@H+](Cc1ccccc1)Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000016662984 182056876 /nfs/dbraw/zinc/05/68/76/182056876.db2.gz NQAMQRBHZJPAHU-UHFFFAOYSA-N 0 0 316.357 3.331 50 5 DGBARN O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017168314 182077951 /nfs/dbraw/zinc/07/79/51/182077951.db2.gz OMLNATLCDDZJSX-UHFFFAOYSA-N 0 0 313.338 3.135 50 5 DGBARN Cc1cc(C)c(C(=O)COc2cccnc2[N+](=O)[O-])cc1C ZINC000017484623 182084725 /nfs/dbraw/zinc/08/47/25/182084725.db2.gz VXFBCNYRWVUPJJ-UHFFFAOYSA-N 0 0 300.314 3.177 50 5 DGBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1C ZINC000019163571 182106435 /nfs/dbraw/zinc/10/64/35/182106435.db2.gz 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/nfs/dbraw/zinc/23/56/76/183235676.db2.gz AXMVGYAVVIZICW-UHFFFAOYSA-N 0 0 305.359 3.427 50 5 DGBARN O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000043425336 183361987 /nfs/dbraw/zinc/36/19/87/183361987.db2.gz WKSWVRWYGZFDGW-DZGCQCFKSA-N 0 0 310.781 3.392 50 5 DGBARN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 ZINC000044979677 183472434 /nfs/dbraw/zinc/47/24/34/183472434.db2.gz BQGNVNAVWJQXLW-UHFFFAOYSA-N 0 0 301.346 3.481 50 5 DGBARN Cc1nn(C)c(N[C@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000057147322 184027949 /nfs/dbraw/zinc/02/79/49/184027949.db2.gz GMLPXJHFOIVPJW-LBPRGKRZSA-N 0 0 306.753 3.390 50 5 DGBARN Cc1c(C(=O)Nc2ccc(-c3nnco3)cc2)cccc1[N+](=O)[O-] ZINC000058364716 184109439 /nfs/dbraw/zinc/10/94/39/184109439.db2.gz HEXIFENICZEKOE-UHFFFAOYSA-N 0 0 324.296 3.206 50 5 DGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(C2CC2)o1 ZINC000065564350 184366356 /nfs/dbraw/zinc/36/63/56/184366356.db2.gz QTOQBPLZPZUTPB-JTQLQIEISA-N 0 0 302.334 3.048 50 5 DGBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(O)cc1 ZINC000000424071 296342237 /nfs/dbraw/zinc/34/22/37/296342237.db2.gz YCGVCJMRGQLVJR-OAHLLOKOSA-N 0 0 316.338 3.079 50 5 DGBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1Cc1ccco1 ZINC000004381574 285018200 /nfs/dbraw/zinc/01/82/00/285018200.db2.gz FTTWIBPHZKRBSQ-UHFFFAOYSA-N 0 0 322.276 3.137 50 5 DGBARN O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1Cl ZINC000003882688 285081932 /nfs/dbraw/zinc/08/19/32/285081932.db2.gz LZXSTDXUOATWQS-UHFFFAOYSA-N 0 0 302.677 3.360 50 5 DGBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2nccs2)CC1 ZINC000009322744 285090566 /nfs/dbraw/zinc/09/05/66/285090566.db2.gz HIRMAZJIRYCLRY-UHFFFAOYSA-N 0 0 324.793 3.031 50 5 DGBARN O=[N+]([O-])c1cc(F)c(Br)c(F)c1Br ZINC000263624468 285093177 /nfs/dbraw/zinc/09/31/77/285093177.db2.gz QTUIYUWEKOBLLJ-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Br ZINC000216616149 257273540 /nfs/dbraw/zinc/27/35/40/257273540.db2.gz ZDVJDYAQNIZJBJ-UHFFFAOYSA-N 0 0 301.140 3.015 50 5 DGBARN Cc1cc2ncn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2cc1C ZINC000007785992 292026379 /nfs/dbraw/zinc/02/63/79/292026379.db2.gz OXDXTZXTCRTSTH-UHFFFAOYSA-N 0 0 312.285 3.459 50 5 DGBARN Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004982109 400086320 /nfs/dbraw/zinc/08/63/20/400086320.db2.gz DDXYFKKRNFXWSM-UHFFFAOYSA-N 0 0 321.336 3.425 50 5 DGBARN CC[C@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000072304162 400380486 /nfs/dbraw/zinc/38/04/86/400380486.db2.gz FTXBPMZRSFJLFB-NWDGAFQWSA-N 0 0 303.362 3.352 50 5 DGBARN CCCn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000072500227 400383371 /nfs/dbraw/zinc/38/33/71/400383371.db2.gz QNDLKVGIKIWZBH-UHFFFAOYSA-N 0 0 303.322 3.154 50 5 DGBARN Cc1ccc([C@H](C)Nc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] ZINC000170592617 400763355 /nfs/dbraw/zinc/76/33/55/400763355.db2.gz HDBPCBVNVVUKLN-NSHDSACASA-N 0 0 311.341 3.320 50 5 DGBARN O=[N+]([O-])c1cccnc1N(Cc1ccco1)Cc1cccnc1 ZINC000089634617 401230995 /nfs/dbraw/zinc/23/09/95/401230995.db2.gz CQGPRPRWEPDNEZ-UHFFFAOYSA-N 0 0 310.313 3.185 50 5 DGBARN C[C@H](Sc1ccncc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119318668 226951122 /nfs/dbraw/zinc/95/11/22/226951122.db2.gz UECLUPGUDKZKLI-JTQLQIEISA-N 0 0 303.343 3.109 50 5 DGBARN Cc1c(CNc2cccc(Cl)c2C(N)=O)cccc1[N+](=O)[O-] ZINC000172940544 432247770 /nfs/dbraw/zinc/24/77/70/432247770.db2.gz UMBSGZNKQYBSSL-UHFFFAOYSA-N 0 0 319.748 3.268 50 5 DGBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1 ZINC000005092292 275032926 /nfs/dbraw/zinc/03/29/26/275032926.db2.gz URLIAERVIQSPJN-UHFFFAOYSA-N 0 0 312.241 3.220 50 5 DGBARN CC(C)(C)n1ncc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1=O ZINC000000367028 277288274 /nfs/dbraw/zinc/28/82/74/277288274.db2.gz QGQYXBKGWONHGT-UHFFFAOYSA-N 0 0 323.736 3.352 50 5 DGBARN COc1c(Br)c(C)c(Br)cc1[N+](=O)[O-] ZINC000037597693 277361014 /nfs/dbraw/zinc/36/10/14/277361014.db2.gz KLZMIPVNKVRDIX-UHFFFAOYSA-N 0 0 324.956 3.437 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000096433635 278866035 /nfs/dbraw/zinc/86/60/35/278866035.db2.gz NSAOOZOPXLGBBQ-STQMWFEESA-N 0 0 301.346 3.333 50 5 DGBARN COC(=O)[C@@H](C)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000046558 431113759 /nfs/dbraw/zinc/11/37/59/431113759.db2.gz GNJYMNITYSCXQG-LLVKDONJSA-N 0 0 312.321 3.195 50 5 DGBARN COc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000067837 431118934 /nfs/dbraw/zinc/11/89/34/431118934.db2.gz IJDCTJDLIYCKRN-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccs1 ZINC000000071032 431120097 /nfs/dbraw/zinc/12/00/97/431120097.db2.gz RLTNIWJCLHLMDP-WQLSENKSSA-N 0 0 300.295 3.001 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccccc1 ZINC000000068886 431120505 /nfs/dbraw/zinc/12/05/05/431120505.db2.gz BPOOLPNNTLALBB-MRXNPFEDSA-N 0 0 314.366 3.483 50 5 DGBARN COc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000119768 431128645 /nfs/dbraw/zinc/12/86/45/431128645.db2.gz 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COc1cc(CO)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000000473574 431190992 /nfs/dbraw/zinc/19/09/92/431190992.db2.gz CJSWGLRVPPHRDV-UHFFFAOYSA-N 0 0 323.732 3.328 50 5 DGBARN Cc1cccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000000507704 431192840 /nfs/dbraw/zinc/19/28/40/431192840.db2.gz UVOHHOQQTBSVEK-UHFFFAOYSA-N 0 0 323.352 3.357 50 5 DGBARN Cc1cccc2[nH]cc(CC(=O)NCc3ccccc3[N+](=O)[O-])c21 ZINC000069532345 431194430 /nfs/dbraw/zinc/19/44/30/431194430.db2.gz AVQNGMAXBZNZQI-UHFFFAOYSA-N 0 0 323.352 3.243 50 5 DGBARN CC1(C)Nc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000000238007 431149672 /nfs/dbraw/zinc/14/96/72/431149672.db2.gz RVZPHRADTLXPLS-UHFFFAOYSA-N 0 0 311.341 3.332 50 5 DGBARN COc1cccc(OC)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000255478 431153427 /nfs/dbraw/zinc/15/34/27/431153427.db2.gz INHXLXHZAAPPEQ-UHFFFAOYSA-N 0 0 320.276 3.003 50 5 DGBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000580044 431204958 /nfs/dbraw/zinc/20/49/58/431204958.db2.gz 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O=[N+]([O-])c1ccc(N2CCN(Cc3ccco3)CC2)c(Cl)c1 ZINC000008780267 431415773 /nfs/dbraw/zinc/41/57/73/431415773.db2.gz VLGCRZHGAQYMNT-UHFFFAOYSA-N 0 0 321.764 3.163 50 5 DGBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000007982344 431372998 /nfs/dbraw/zinc/37/29/98/431372998.db2.gz YDLPQMXSZCTXGS-VIFPVBQESA-N 0 0 305.721 3.134 50 5 DGBARN O=C(/C=C/c1nc2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 ZINC000008705095 431405922 /nfs/dbraw/zinc/40/59/22/431405922.db2.gz PDCKNNZUDOHFOX-CMDGGOBGSA-N 0 0 309.281 3.388 50 5 DGBARN CCNc1ccc(-c2noc(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000009669044 431443295 /nfs/dbraw/zinc/44/32/95/431443295.db2.gz JQDYEFMHZVQVIO-UHFFFAOYSA-N 0 0 311.301 3.139 50 5 DGBARN Cc1ccnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000009364682 431431264 /nfs/dbraw/zinc/43/12/64/431431264.db2.gz TYTDRRLPEXSMII-UHFFFAOYSA-N 0 0 312.329 3.125 50 5 DGBARN CSc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000009368397 431433576 /nfs/dbraw/zinc/43/35/76/431433576.db2.gz 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ZINC000095943180 280624647 /nfs/dbraw/zinc/62/46/47/280624647.db2.gz YHPDZPLHHKRMSG-UHFFFAOYSA-N 0 0 314.326 3.160 50 5 DGBARN COC[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000084147819 431818039 /nfs/dbraw/zinc/81/80/39/431818039.db2.gz JFLCTXVFXBNOSP-ZDUSSCGKSA-N 0 0 321.377 3.102 50 5 DGBARN O=C(CCc1ccc(F)c(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000032816251 431792855 /nfs/dbraw/zinc/79/28/55/431792855.db2.gz VFOUZYJGKFXLIN-UHFFFAOYSA-N 0 0 306.268 3.444 50 5 DGBARN O=C(CCc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032816263 431794244 /nfs/dbraw/zinc/79/42/44/431794244.db2.gz CMLMJCNMQCUHND-UHFFFAOYSA-N 0 0 306.268 3.444 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCC(OCc3ccccc3)CC2)nc1 ZINC000032853549 431796707 /nfs/dbraw/zinc/79/67/07/431796707.db2.gz ZHWMIIKKUMQUPP-UHFFFAOYSA-N 0 0 313.357 3.175 50 5 DGBARN CC(C)OC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000032923568 431802310 /nfs/dbraw/zinc/80/23/10/431802310.db2.gz WMDCABVDBGIXOG-UHFFFAOYSA-N 0 0 302.286 3.347 50 5 DGBARN Cc1ccc(Cl)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005547263 280844298 /nfs/dbraw/zinc/84/42/98/280844298.db2.gz VSTJYSGVYVDMHQ-UHFFFAOYSA-N 0 0 316.700 3.357 50 5 DGBARN CCN(Cc1nnsc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000044917890 431879458 /nfs/dbraw/zinc/87/94/58/431879458.db2.gz VMRXWCFOHRPNLY-UHFFFAOYSA-N 0 0 312.782 3.122 50 5 DGBARN C[C@@H]1CC[C@H](CCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)O1 ZINC000095973889 431929646 /nfs/dbraw/zinc/92/96/46/431929646.db2.gz BMBUISCRRZIYOE-CHWSQXEVSA-N 0 0 318.373 3.222 50 5 DGBARN COC(C)(C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000095996396 431933512 /nfs/dbraw/zinc/93/35/12/431933512.db2.gz ONSNMVOGXCJCLD-NSHDSACASA-N 0 0 309.366 3.228 50 5 DGBARN CCOc1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000096466838 431952503 /nfs/dbraw/zinc/95/25/03/431952503.db2.gz IKGKKEAQMGAAPC-UHFFFAOYSA-N 0 0 319.292 3.088 50 5 DGBARN O=C(CCC(F)(F)F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000096484103 431953175 /nfs/dbraw/zinc/95/31/75/431953175.db2.gz UJPSJQSUHDWGOE-UHFFFAOYSA-N 0 0 302.252 3.217 50 5 DGBARN C[C@H]1c2cccn2CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097035367 431957086 /nfs/dbraw/zinc/95/70/86/431957086.db2.gz KSUIHJGJIKYBNW-WSROAFLRSA-N 0 0 311.341 3.013 50 5 DGBARN CCOC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000097163070 431963612 /nfs/dbraw/zinc/96/36/12/431963612.db2.gz FCRKYXDISHFLTD-ZDUSSCGKSA-N 0 0 321.377 3.184 50 5 DGBARN O=[N+]([O-])c1ccc(CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000053578155 431964432 /nfs/dbraw/zinc/96/44/32/431964432.db2.gz SMLLCMIADGQJCW-UHFFFAOYSA-N 0 0 312.251 3.058 50 5 DGBARN CC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)C[C@@H](C)CC2 ZINC000100635346 431982488 /nfs/dbraw/zinc/98/24/88/431982488.db2.gz BVMTXCBOKLIHDI-JTQLQIEISA-N 0 0 322.364 3.424 50 5 biogenic DGBARN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1c1ccncc1 ZINC000270902936 432300868 /nfs/dbraw/zinc/30/08/68/432300868.db2.gz FYQFSHUGLLDEOQ-LBPRGKRZSA-N 0 0 304.737 3.380 50 5 DGBARN CC(=O)c1ccc(Oc2cccc(-n3ccnn3)c2)c([N+](=O)[O-])c1 ZINC000253419170 432391897 /nfs/dbraw/zinc/39/18/97/432391897.db2.gz KHQPIXGNIRWHHK-UHFFFAOYSA-N 0 0 324.296 3.170 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000193060933 432444517 /nfs/dbraw/zinc/44/45/17/432444517.db2.gz NEAKOZPLNMCTBX-GFCCVEGCSA-N 0 0 324.340 3.453 50 5 DGBARN COc1cccc(N2CCC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000185305391 432489010 /nfs/dbraw/zinc/48/90/10/432489010.db2.gz RPVYZDJAXKGWNT-LLVKDONJSA-N 0 0 319.386 3.444 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@@H]1CCCCO1 ZINC000162954581 432839072 /nfs/dbraw/zinc/83/90/72/432839072.db2.gz WPZGXEZMIYTJFM-AWEZNQCLSA-N 0 0 321.377 3.374 50 5 DGBARN CC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 ZINC000242263384 432818155 /nfs/dbraw/zinc/81/81/55/432818155.db2.gz XYNZMAOSQYJPRR-UHFFFAOYSA-N 0 0 307.331 3.438 50 5 DGBARN Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc(C)c1O ZINC000241371405 432815267 /nfs/dbraw/zinc/81/52/67/432815267.db2.gz MNHUAQXNGBTCMT-UHFFFAOYSA-N 0 0 300.314 3.478 50 5 DGBARN COc1cccc(N2CCC[C@H](c3cc(C)[nH]n3)C2)c1[N+](=O)[O-] ZINC000282191816 433525175 /nfs/dbraw/zinc/52/51/75/433525175.db2.gz HIDNQDXRRJIFSR-LBPRGKRZSA-N 0 0 316.361 3.019 50 5 DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 ZINC000005732866 295032265 /nfs/dbraw/zinc/03/22/65/295032265.db2.gz UTSVPXMQSFGQTM-ASCAZGACSA-N 0 0 324.288 3.006 50 5 endogenous,in-man DGBARN O=C(NC1(c2ccccc2F)CC1)c1ccccc1[N+](=O)[O-] ZINC000075142279 295597819 /nfs/dbraw/zinc/59/78/19/295597819.db2.gz ZTLKWGIBWUXVDY-UHFFFAOYSA-N 0 0 300.289 3.153 50 5 DGBARN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccccc1 ZINC000184458977 300188677 /nfs/dbraw/zinc/18/86/77/300188677.db2.gz WCELTSAIOQPIID-MEDUHNTESA-N 0 0 311.341 3.010 50 5 DGBARN COc1ccc(C=O)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000000035790 545643528 /nfs/dbraw/zinc/64/35/28/545643528.db2.gz ANVVHXVNYURAKK-UHFFFAOYSA-N 0 0 301.298 3.303 50 5 DGBARN CCOC[C@@H]1CCN(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000081606710 545771327 /nfs/dbraw/zinc/77/13/27/545771327.db2.gz QQHUSEUCBJDUMP-GFCCVEGCSA-N 0 0 321.377 3.048 50 5 DGBARN C[C@H]1CCCC[C@H]1OCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000084692104 545794077 /nfs/dbraw/zinc/79/40/77/545794077.db2.gz NZIWLIPPVQTWBB-QWHCGFSZSA-N 0 0 318.377 3.250 50 5 DGBARN CCO[P@@](=O)(c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000301689 658372933 /nfs/dbraw/zinc/37/29/33/658372933.db2.gz VMRMFIBBRJFFHN-NYHFZMIOSA-N 0 0 321.269 3.226 50 5 DGBARN Cc1cc(NCc2nc(C(F)(F)F)c[nH]2)ccc1[N+](=O)[O-] ZINC000952992070 662210837 /nfs/dbraw/zinc/21/08/37/662210837.db2.gz IWBLJOLOYSDQMT-UHFFFAOYSA-N 0 0 300.240 3.257 50 5 DGBARN CSC[C@@H](C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000585130198 1095029938 /nfs/dbraw/zinc/02/99/38/1095029938.db2.gz KIODFZPXRGSTRD-SECBINFHSA-N 0 0 305.359 3.081 50 5 DGBARN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005014154 190620258 /nfs/dbraw/zinc/62/02/58/190620258.db2.gz IINROCGNJJWWRV-UHFFFAOYSA-N 0 0 316.313 3.254 50 5 DGBARN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2)C1 ZINC000095389993 185351257 /nfs/dbraw/zinc/35/12/57/185351257.db2.gz OOTRNWMMNIXGFL-GFCCVEGCSA-N 0 0 302.355 3.286 50 5 DGBARN CC(=O)c1csc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000095436575 185365282 /nfs/dbraw/zinc/36/52/82/185365282.db2.gz ZHFWZUMTCONMPE-UHFFFAOYSA-N 0 0 304.327 3.136 50 5 DGBARN C[C@@H](c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025494106 190650263 /nfs/dbraw/zinc/65/02/63/190650263.db2.gz ZKSWTJOVFLVIFP-NSHDSACASA-N 0 0 313.361 3.157 50 5 DGBARN Cc1nn2c3cc(N4CCOCC4)ccc3nc2c2ccccc12 ZINC000000561783 282308860 /nfs/dbraw/zinc/30/88/60/282308860.db2.gz OGUOXRPVMIPQFU-UHFFFAOYSA-N 0 0 318.380 3.181 50 5 DGBARN O=C(CSc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000000045559 180676577 /nfs/dbraw/zinc/67/65/77/180676577.db2.gz JBMBIKYUDFBJCG-UHFFFAOYSA-N 0 0 313.338 3.446 50 5 DGBARN C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000310555 180755529 /nfs/dbraw/zinc/75/55/29/180755529.db2.gz GJHSQUFCZAEEOC-TZIYXEQSSA-N 0 0 310.353 3.355 50 5 DGBARN Cc1cccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000373671 180769835 /nfs/dbraw/zinc/76/98/35/180769835.db2.gz PYKPCAKATQIPSE-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN CCOc1cc(C=O)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000858697 180836125 /nfs/dbraw/zinc/83/61/25/180836125.db2.gz MSGZPSNVHVBWDL-UHFFFAOYSA-N 0 0 315.281 3.025 50 5 DGBARN CCCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-] ZINC000001754431 180894872 /nfs/dbraw/zinc/89/48/72/180894872.db2.gz BOSSVQATRFCZTO-UHFFFAOYSA-N 0 0 305.359 3.100 50 5 DGBARN O=C(Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003355838 181011135 /nfs/dbraw/zinc/01/11/35/181011135.db2.gz HDFQSRLNIKIKKG-UHFFFAOYSA-N 0 0 313.338 3.386 50 5 DGBARN Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000003569821 181036804 /nfs/dbraw/zinc/03/68/04/181036804.db2.gz ASDUTVAVPBMOLI-UHFFFAOYSA-N 0 0 319.248 3.203 50 5 DGBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1Nc1ccccc1O ZINC000003879007 181051671 /nfs/dbraw/zinc/05/16/71/181051671.db2.gz BBXXJKHZFAFARR-UHFFFAOYSA-N 0 0 306.665 3.234 50 5 DGBARN O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003897815 181054209 /nfs/dbraw/zinc/05/42/09/181054209.db2.gz NJBCQHGRSJFYHM-UHFFFAOYSA-N 0 0 318.716 3.460 50 5 DGBARN CC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000003904225 181055074 /nfs/dbraw/zinc/05/50/74/181055074.db2.gz JZGJMIWZTVJFJD-CYBMUJFWSA-N 0 0 308.381 3.069 50 5 DGBARN O=C(COc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004036982 181065744 /nfs/dbraw/zinc/06/57/44/181065744.db2.gz OCMQVFXEDROBPS-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN COc1ccc(C=O)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000004299135 181094347 /nfs/dbraw/zinc/09/43/47/181094347.db2.gz SCJZDCYJZONMOK-UHFFFAOYSA-N 0 0 301.298 3.303 50 5 DGBARN Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000004276474 181091528 /nfs/dbraw/zinc/09/15/28/181091528.db2.gz ITAYSBACGCHAIG-NSHDSACASA-N 0 0 318.304 3.448 50 5 DGBARN Cc1cc(C)cc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c1 ZINC000004331236 181098570 /nfs/dbraw/zinc/09/85/70/181098570.db2.gz LBZLKEIMQCXBGF-UHFFFAOYSA-N 0 0 324.344 3.239 50 5 DGBARN Cc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)o1 ZINC000004587869 181127304 /nfs/dbraw/zinc/12/73/04/181127304.db2.gz RFLHSQIWKQPUTI-JYRVWZFOSA-N 0 0 312.281 3.149 50 5 DGBARN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000004611076 181129180 /nfs/dbraw/zinc/12/91/80/181129180.db2.gz UGPHSYPQXBHELI-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN O=C(Nc1ccccc1[N+](=O)[O-])OCCOc1ccccc1 ZINC000004771132 181149854 /nfs/dbraw/zinc/14/98/54/181149854.db2.gz OSTZZTQEDMBKCR-UHFFFAOYSA-N 0 0 302.286 3.222 50 5 DGBARN Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000004841014 181160696 /nfs/dbraw/zinc/16/06/96/181160696.db2.gz DSOYSKKIZITTKQ-UHFFFAOYSA-N 0 0 318.280 3.202 50 5 DGBARN Cc1ccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)cc1 ZINC000004834301 181159219 /nfs/dbraw/zinc/15/92/19/181159219.db2.gz UZLIVKXSDZTILF-UHFFFAOYSA-N 0 0 316.361 3.187 50 5 DGBARN COc1nn(Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000004834477 181159398 /nfs/dbraw/zinc/15/93/98/181159398.db2.gz BNOKSOJQMWGIQM-UHFFFAOYSA-N 0 0 302.117 3.155 50 5 DGBARN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000004891989 181168909 /nfs/dbraw/zinc/16/89/09/181168909.db2.gz FRFFGMIREKXFRS-GFCCVEGCSA-N 0 0 300.314 3.257 50 5 DGBARN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000004905296 181170784 /nfs/dbraw/zinc/17/07/84/181170784.db2.gz DMKYSRNUHFEHKW-KGLIPLIRSA-N 0 0 312.325 3.346 50 5 DGBARN C[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004907509 181171173 /nfs/dbraw/zinc/17/11/73/181171173.db2.gz MKYOHQSXSJPYTJ-JTQLQIEISA-N 0 0 304.277 3.140 50 5 DGBARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000005009668 181189810 /nfs/dbraw/zinc/18/98/10/181189810.db2.gz WALBVUSAHPLUPH-GFCCVEGCSA-N 0 0 300.314 3.309 50 5 DGBARN CCn1cc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000005041872 181195532 /nfs/dbraw/zinc/19/55/32/181195532.db2.gz RPIGOGKZMMYQHP-SNVBAGLBSA-N 0 0 317.349 3.002 50 5 DGBARN O=C(OC1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000005043313 181195836 /nfs/dbraw/zinc/19/58/36/181195836.db2.gz BGEKVWADIGJWQP-UHFFFAOYSA-N 0 0 317.297 3.191 50 5 biogenic DGBARN CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 ZINC000005050681 181196724 /nfs/dbraw/zinc/19/67/24/181196724.db2.gz UDZPCTVOSOTOMN-QMMMGPOBSA-N 0 0 320.328 3.060 50 5 DGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005068517 181200693 /nfs/dbraw/zinc/20/06/93/181200693.db2.gz UJTXXHDDSJDQPZ-UHFFFAOYSA-N 0 0 317.389 3.258 50 5 DGBARN O=C(CSc1ccsc1[N+](=O)[O-])N1CCCCCC1 ZINC000005069098 181200811 /nfs/dbraw/zinc/20/08/11/181200811.db2.gz OOZTTXWEFPZHEH-UHFFFAOYSA-N 0 0 300.405 3.151 50 5 DGBARN O=C(/C=C/c1cccc(F)c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000005559256 181257298 /nfs/dbraw/zinc/25/72/98/181257298.db2.gz SDOGYAPCQIHPPM-RMKNXTFCSA-N 0 0 301.273 3.491 50 5 DGBARN Nc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000005689040 181272965 /nfs/dbraw/zinc/27/29/65/181272965.db2.gz PJMZRFVQVHSYMK-UHFFFAOYSA-N 0 0 324.695 3.327 50 5 DGBARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000005861967 181290430 /nfs/dbraw/zinc/29/04/30/181290430.db2.gz LZLSKBIKERBVIX-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000005936657 181297868 /nfs/dbraw/zinc/29/78/68/181297868.db2.gz VRFBLORWOHWOLX-UHFFFAOYSA-N 0 0 322.118 3.005 50 5 DGBARN NC(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000005832513 283382077 /nfs/dbraw/zinc/38/20/77/283382077.db2.gz UXLPQAHCTYRGPI-CQSZACIVSA-N 0 0 311.341 3.183 50 5 DGBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000006125203 181314524 /nfs/dbraw/zinc/31/45/24/181314524.db2.gz TUZHRZBDJDHQHY-VIFPVBQESA-N 0 0 305.721 3.134 50 5 DGBARN COc1ccccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006832157 181396319 /nfs/dbraw/zinc/39/63/19/181396319.db2.gz SCCNRRZGVJJEPI-NSHDSACASA-N 0 0 315.329 3.043 50 5 DGBARN O=C(NCCOC1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000096411270 193624617 /nfs/dbraw/zinc/62/46/17/193624617.db2.gz MYMOPPRJHHMFQZ-UHFFFAOYSA-N 0 0 306.362 3.064 50 5 DGBARN CC(=O)c1ccc(NC[C@](C)(O)c2cccs2)c([N+](=O)[O-])c1 ZINC000096417348 193628740 /nfs/dbraw/zinc/62/87/40/193628740.db2.gz JBEWJTJDSOJSIO-HNNXBMFYSA-N 0 0 320.370 3.179 50 5 DGBARN O=[N+]([O-])c1cc(F)ccc1Sc1nnc(NC2CC2)s1 ZINC000009835004 181642838 /nfs/dbraw/zinc/64/28/38/181642838.db2.gz ZDCQPDDNTPEFLY-UHFFFAOYSA-N 0 0 312.351 3.311 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000004774196 284316934 /nfs/dbraw/zinc/31/69/34/284316934.db2.gz PNOBPIAMISSWOG-UHFFFAOYSA-N 0 0 322.118 3.005 50 5 DGBARN O=C(Nc1ccc2oc(=O)c3ccccc3c2c1)C(F)(F)F ZINC000001694578 284345932 /nfs/dbraw/zinc/34/59/32/284345932.db2.gz XUKKGDUMWVJYEZ-UHFFFAOYSA-N 0 0 307.227 3.447 50 5 in-vitro DGBARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC000016103803 182034377 /nfs/dbraw/zinc/03/43/77/182034377.db2.gz JRROBXWSKYKXRM-UHFFFAOYSA-N 0 0 322.223 3.169 50 5 DGBARN COc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000017138326 182077285 /nfs/dbraw/zinc/07/72/85/182077285.db2.gz NXXISVHVJNIANI-UHFFFAOYSA-N 0 0 312.281 3.453 50 5 DGBARN CN(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000017918041 182087524 /nfs/dbraw/zinc/08/75/24/182087524.db2.gz ODHRZXKUNVXZGD-UHFFFAOYSA-N 0 0 318.760 3.449 50 5 DGBARN CCCCOc1ccc(CSc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000018206490 182098753 /nfs/dbraw/zinc/09/87/53/182098753.db2.gz XELLERCMSGNUTL-UHFFFAOYSA-N 0 0 308.363 3.184 50 5 DGBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1 ZINC000020724890 182244537 /nfs/dbraw/zinc/24/45/37/182244537.db2.gz MESNADOFGKOOAS-UHFFFAOYSA-N 0 0 312.332 3.187 50 5 DGBARN CCc1noc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)n1 ZINC000020897967 182252364 /nfs/dbraw/zinc/25/23/64/182252364.db2.gz FTBMXKSZJAOVIG-UHFFFAOYSA-N 0 0 314.301 3.412 50 5 DGBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1C1CC1 ZINC000021322809 182271657 /nfs/dbraw/zinc/27/16/57/182271657.db2.gz XWSILASQOPIVKJ-INIZCTEOSA-N 0 0 309.325 3.324 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(F)ccc2F)c1 ZINC000024542510 182383569 /nfs/dbraw/zinc/38/35/69/182383569.db2.gz JXUYDEWXQJYGRU-UHFFFAOYSA-N 0 0 322.267 3.199 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCc2ncccc21 ZINC000008708498 296226587 /nfs/dbraw/zinc/22/65/87/296226587.db2.gz VMCBHDOHKKXSAV-UHFFFAOYSA-N 0 0 317.732 3.236 50 5 DGBARN COCC(=O)Nc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000040060984 183030401 /nfs/dbraw/zinc/03/04/01/183030401.db2.gz ZYGPJLGDHLWPBS-UHFFFAOYSA-N 0 0 319.292 3.062 50 5 DGBARN Cc1nc(/C=C/C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000040082711 183032187 /nfs/dbraw/zinc/03/21/87/183032187.db2.gz GBPHJDAIAQYPHO-VOTSOKGWSA-N 0 0 317.370 3.032 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCOCC(C)C ZINC000040095682 183034193 /nfs/dbraw/zinc/03/41/93/183034193.db2.gz PRCGOPRKOLYNSG-UHFFFAOYSA-N 0 0 309.366 3.087 50 5 DGBARN Cc1c(NC(=O)NCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000040099083 183034844 /nfs/dbraw/zinc/03/48/44/183034844.db2.gz GVNNOHKFTUKYEM-UHFFFAOYSA-N 0 0 303.293 3.364 50 5 DGBARN Cc1[nH]c2c(cc(C)cc2CNc2c([N+](=O)[O-])ncn2C)c1C ZINC000104095157 193982312 /nfs/dbraw/zinc/98/23/12/193982312.db2.gz NZJVTAQTACRDDE-UHFFFAOYSA-N 0 0 313.361 3.347 50 5 DGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000104868764 194048808 /nfs/dbraw/zinc/04/88/08/194048808.db2.gz VXTVPCLBMPBAPQ-WFGGJUAMSA-N 0 0 320.389 3.303 50 5 DGBARN CCN(c1ccccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000059132309 184135308 /nfs/dbraw/zinc/13/53/08/184135308.db2.gz LGEMXHFMALIBHH-UHFFFAOYSA-N 0 0 320.370 3.118 50 5 DGBARN CCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 ZINC000065589854 184369204 /nfs/dbraw/zinc/36/92/04/184369204.db2.gz LQIXBDKACGOENP-UHFFFAOYSA-N 0 0 316.317 3.314 50 5 DGBARN O=[N+]([O-])c1cccnc1Oc1cccc(Oc2ncccn2)c1 ZINC000065626018 184375619 /nfs/dbraw/zinc/37/56/19/184375619.db2.gz FYSNMGGXKOPGRP-UHFFFAOYSA-N 0 0 310.269 3.364 50 5 DGBARN O=c1[nH]c2cc3ccccc3c(=O)n2c2sc3c(c21)CCCC3 ZINC000000195939 285199120 /nfs/dbraw/zinc/19/91/20/285199120.db2.gz RCEMQBSAGQMBNC-UHFFFAOYSA-N 0 0 322.389 3.235 50 5 DGBARN O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000000187841 285227198 /nfs/dbraw/zinc/22/71/98/285227198.db2.gz ZYMZJDWJYQZCOX-UHFFFAOYSA-N 0 0 302.673 3.417 50 5 DGBARN CC(=O)c1ccc(N[C@@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000071904208 184897318 /nfs/dbraw/zinc/89/73/18/184897318.db2.gz MVWVJTPJQCTYEV-VIFPVBQESA-N 0 0 302.334 3.012 50 5 DGBARN O=C1CN=C(c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc2N1 ZINC000005512274 400088831 /nfs/dbraw/zinc/08/88/31/400088831.db2.gz NBGGBXRHSZPWKW-UHFFFAOYSA-N 0 0 315.716 3.038 50 5 DGBARN COc1c2ccccc2c(OC)c2cc(S(C)(=O)=O)ccc21 ZINC000584904531 400124324 /nfs/dbraw/zinc/12/43/24/400124324.db2.gz QOCRNKWFLNIAQY-UHFFFAOYSA-N 0 0 316.378 3.414 50 5 DGBARN COc1cc(F)ccc1N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000097227661 400283662 /nfs/dbraw/zinc/28/36/62/400283662.db2.gz UKYLNQLCKRVIHN-UHFFFAOYSA-N 0 0 322.267 3.158 50 5 DGBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccncc1 ZINC000097380032 400287153 /nfs/dbraw/zinc/28/71/53/400287153.db2.gz WPYZVISWMQQSOY-LBPRGKRZSA-N 0 0 314.345 3.489 50 5 DGBARN CCN(CC)C(=S)Sc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000075272868 400568121 /nfs/dbraw/zinc/56/81/21/400568121.db2.gz JJXSARHZSWQXPA-UHFFFAOYSA-N 0 0 315.376 3.222 50 5 DGBARN O=[N+]([O-])c1c(F)cccc1NCc1ccc(N2CCCC2)nc1 ZINC000057137689 400974039 /nfs/dbraw/zinc/97/40/39/400974039.db2.gz MUFBEKGUFYNCSA-UHFFFAOYSA-N 0 0 316.336 3.341 50 5 DGBARN O=C(O[C@@H]1C=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 ZINC000071785732 226822780 /nfs/dbraw/zinc/82/27/80/226822780.db2.gz VYMDTEMQEMYLDP-FVTGEYKSSA-N 0 0 309.321 3.294 50 5 DGBARN Cc1cc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(C)s1 ZINC000301913244 229977560 /nfs/dbraw/zinc/97/75/60/229977560.db2.gz HNGDPNWVXNYRCD-SECBINFHSA-N 0 0 317.374 3.489 50 5 DGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000104227326 275033849 /nfs/dbraw/zinc/03/38/49/275033849.db2.gz JJGBDTGDFFAGMT-UHFFFAOYSA-N 0 0 322.208 3.294 50 5 DGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000104230428 275033886 /nfs/dbraw/zinc/03/38/86/275033886.db2.gz BMHGDEJBVWLUNH-UHFFFAOYSA-N 0 0 322.208 3.294 50 5 DGBARN O=[N+]([O-])c1ccc2c(c1)oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c12 ZINC000104209891 275038681 /nfs/dbraw/zinc/03/86/81/275038681.db2.gz BABSYXBNAVGTRN-UHFFFAOYSA-N 0 0 303.186 3.311 50 5 DGBARN CCOC(=O)c1c(N)ncc2c(Cl)nc3ccccc3c21 ZINC000012413913 276296451 /nfs/dbraw/zinc/29/64/51/276296451.db2.gz PZRCVJDVMIYLAO-UHFFFAOYSA-N 0 0 301.733 3.195 50 5 DGBARN CCOC(=O)c1cn2c(=O)c3ccccc3nc2c2ccccc12 ZINC000020848061 276300882 /nfs/dbraw/zinc/30/08/82/276300882.db2.gz XHHQDWKPHKKSPZ-UHFFFAOYSA-N 0 0 318.332 3.178 50 5 DGBARN Cc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)ccc1-n1cncn1 ZINC000221841830 278620076 /nfs/dbraw/zinc/62/00/76/278620076.db2.gz IOBLJYQVUCSPIR-RQOWECAXSA-N 0 0 307.313 3.049 50 5 DGBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccco1 ZINC000000027945 431112172 /nfs/dbraw/zinc/11/21/72/431112172.db2.gz DOSHLCJYWSSKGT-GHXNOFRVSA-N 0 0 318.672 3.186 50 5 DGBARN Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000038913 431113482 /nfs/dbraw/zinc/11/34/82/431113482.db2.gz AEHCPJOJOCNRGJ-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN C[C@@H]1C[C@@H](SC2CCC([N+](=O)[O-])CC2)CC[C@H]1[N+](=O)[O-] ZINC000257356910 278928919 /nfs/dbraw/zinc/92/89/19/278928919.db2.gz LBGFSCJRIVPHOV-RXDNMWQFSA-N 0 0 302.396 3.141 50 5 DGBARN COc1cccc2c1oc(=O)c1c(N)nc3c(c21)C[C@@H](C)CC3 ZINC000000054530 431117474 /nfs/dbraw/zinc/11/74/74/431117474.db2.gz UIZDRDNLLBBVDN-VIFPVBQESA-N 0 0 310.353 3.057 50 5 biogenic DGBARN Cc1ccc2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2n1 ZINC000000069752 431119750 /nfs/dbraw/zinc/11/97/50/431119750.db2.gz DIOBNYUOCAXCKK-UHFFFAOYSA-N 0 0 313.338 3.326 50 5 DGBARN O=C(COc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000000094149 431123620 /nfs/dbraw/zinc/12/36/20/431123620.db2.gz MAQRDBVPTLBTLI-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN Cc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000000110560 431125093 /nfs/dbraw/zinc/12/50/93/431125093.db2.gz LIFUUTUCQUJJOO-UHFFFAOYSA-N 0 0 306.268 3.363 50 5 DGBARN O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122528 431128605 /nfs/dbraw/zinc/12/86/05/431128605.db2.gz YXGFMZDPQSGLHY-RDJZCZTQSA-N 0 0 312.325 3.075 50 5 DGBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(Cl)ccn1 ZINC000071799848 279012900 /nfs/dbraw/zinc/01/29/00/279012900.db2.gz XHQJUPASFNZTSY-SECBINFHSA-N 0 0 317.732 3.235 50 5 DGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000000115703 431127583 /nfs/dbraw/zinc/12/75/83/431127583.db2.gz KUMLNZOFVVRGPV-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000000146930 431134051 /nfs/dbraw/zinc/13/40/51/431134051.db2.gz PFMMMGCSWOFANV-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000000317167 431165313 /nfs/dbraw/zinc/16/53/13/431165313.db2.gz KUZDKJPDXJRULI-OAHLLOKOSA-N 0 0 313.309 3.413 50 5 DGBARN CN1CCN(c2cc3ccccc3c(=O)c3ccccc32)CC1 ZINC000000346738 431167053 /nfs/dbraw/zinc/16/70/53/431167053.db2.gz KOHBEDGHTZPTIB-UHFFFAOYSA-N 0 0 304.393 3.105 50 5 DGBARN Cc1c(Cl)cccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000368758 431173942 /nfs/dbraw/zinc/17/39/42/431173942.db2.gz JTIOHXABRYSCMT-UHFFFAOYSA-N 0 0 316.700 3.357 50 5 DGBARN Cc1cc(C)cc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000443638 431182716 /nfs/dbraw/zinc/18/27/16/431182716.db2.gz JGMGAJLDMLBWMS-UHFFFAOYSA-N 0 0 318.304 3.368 50 5 DGBARN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000524707 431195320 /nfs/dbraw/zinc/19/53/20/431195320.db2.gz DKQNMFVAGRQTEN-UHFFFAOYSA-N 0 0 312.734 3.049 50 5 DGBARN O=[N+]([O-])c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000000245223 431153487 /nfs/dbraw/zinc/15/34/87/431153487.db2.gz YTKTZXSOTNZQAI-MDZDMXLPSA-N 0 0 304.327 3.007 50 5 DGBARN CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000613347 431205630 /nfs/dbraw/zinc/20/56/30/431205630.db2.gz GTTCJFYUBQWMJG-HNNXBMFYSA-N 0 0 313.313 3.194 50 5 DGBARN CO[C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069666426 431208768 /nfs/dbraw/zinc/20/87/68/431208768.db2.gz DWWMAVGLLIDKIP-SECBINFHSA-N 0 0 312.753 3.026 50 5 DGBARN Cc1nn([C@@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000001067730 431214204 /nfs/dbraw/zinc/21/42/04/431214204.db2.gz CIXXPXHOSPLNPD-ZDUSSCGKSA-N 0 0 316.361 3.225 50 5 DGBARN CC(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002164763 431244484 /nfs/dbraw/zinc/24/44/84/431244484.db2.gz LRQDCVRRPVYLOP-UHFFFAOYSA-N 0 0 314.301 3.197 50 5 DGBARN COC(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000002534353 431253769 /nfs/dbraw/zinc/25/37/69/431253769.db2.gz KZIHLDBMLYUOPD-UHFFFAOYSA-N 0 0 311.677 3.207 50 5 DGBARN COc1cccc(OC)c1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000002983607 431277492 /nfs/dbraw/zinc/27/74/92/431277492.db2.gz RHSTWKNQFGJUEV-UHFFFAOYSA-N 0 0 319.313 3.070 50 5 DGBARN O=C(Nc1ccc(Cl)cn1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003091355 431282297 /nfs/dbraw/zinc/28/22/97/431282297.db2.gz HTVGIERITPRJEI-UHFFFAOYSA-N 0 0 310.672 3.426 50 5 DGBARN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003151853 431284881 /nfs/dbraw/zinc/28/48/81/431284881.db2.gz WJZSRHCAVQMESA-UHFFFAOYSA-N 0 0 320.370 3.118 50 5 DGBARN C[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000003187582 431288095 /nfs/dbraw/zinc/28/80/95/431288095.db2.gz CXRJOBMNJDOQCA-SSDOTTSWSA-N 0 0 323.399 3.490 50 5 DGBARN Cc1nnc(-c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)o1 ZINC000004092257 431296286 /nfs/dbraw/zinc/29/62/86/431296286.db2.gz CNFIWKHYEQOXPV-UHFFFAOYSA-N 0 0 302.334 3.334 50 5 DGBARN Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000004623120 431301155 /nfs/dbraw/zinc/30/11/55/431301155.db2.gz UQEXZQSLRJQAFE-UHFFFAOYSA-N 0 0 321.336 3.381 50 5 DGBARN O=C(NC1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005064498 431307211 /nfs/dbraw/zinc/30/72/11/431307211.db2.gz IBLYFIZOIQCRHV-UHFFFAOYSA-N 0 0 317.389 3.258 50 5 DGBARN O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1 ZINC000005049176 431309641 /nfs/dbraw/zinc/30/96/41/431309641.db2.gz IGKQVXLNXZLGMT-UHFFFAOYSA-N 0 0 315.329 3.430 50 5 DGBARN O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002741747 431267781 /nfs/dbraw/zinc/26/77/81/431267781.db2.gz CJEBWEYQMDIDDL-UHFFFAOYSA-N 0 0 323.211 3.034 50 5 DGBARN Cc1ccc2cccc(Oc3ccc([N+](=O)[O-])cc3C(N)=O)c2n1 ZINC000002826540 431273065 /nfs/dbraw/zinc/27/30/65/431273065.db2.gz GEJOIGCGRKJKTN-UHFFFAOYSA-N 0 0 323.308 3.343 50 5 DGBARN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006500866 431316204 /nfs/dbraw/zinc/31/62/04/431316204.db2.gz MXTNVDLWMRIXCC-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN Cc1occc1-c1nnc(Sc2ncccc2[N+](=O)[O-])o1 ZINC000007186299 431336001 /nfs/dbraw/zinc/33/60/01/431336001.db2.gz PJBHOWCIALGOGJ-UHFFFAOYSA-N 0 0 304.287 3.092 50 5 DGBARN Cc1ccc(O[C@H](C)C(=O)NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000007463853 431351065 /nfs/dbraw/zinc/35/10/65/431351065.db2.gz VHEMZXGHBWMXST-CYBMUJFWSA-N 0 0 320.389 3.367 50 5 DGBARN CCC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC000009114186 431423977 /nfs/dbraw/zinc/42/39/77/431423977.db2.gz MQAYTGQPPNSYES-CYBMUJFWSA-N 0 0 319.317 3.077 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C(C)C)no2)c1 ZINC000007977365 431373499 /nfs/dbraw/zinc/37/34/99/431373499.db2.gz LSAHMIUJCZQLEK-UHFFFAOYSA-N 0 0 319.317 3.032 50 5 DGBARN O=C(Cc1noc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008075116 431380272 /nfs/dbraw/zinc/38/02/72/431380272.db2.gz MFBLENWNUQTTAQ-UHFFFAOYSA-N 0 0 315.260 3.056 50 5 DGBARN COc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000008374604 431397541 /nfs/dbraw/zinc/39/75/41/431397541.db2.gz CMMQXOQEGVTNAV-UHFFFAOYSA-N 0 0 307.356 3.464 50 5 DGBARN O=C(Nc1cccnc1)c1ccc2nc3ccccc3nc2c1 ZINC000009668875 431441953 /nfs/dbraw/zinc/44/19/53/431441953.db2.gz NTBZLVNDYYBHNV-UHFFFAOYSA-N 0 0 300.321 3.430 50 5 DGBARN CC(C)OCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009724685 431444889 /nfs/dbraw/zinc/44/48/89/431444889.db2.gz CLYSLQPUFVCAJE-UHFFFAOYSA-N 0 0 322.386 3.354 50 5 DGBARN Cc1cnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s1 ZINC000009339170 431431352 /nfs/dbraw/zinc/43/13/52/431431352.db2.gz RYXXNEKMVVWHKF-UHFFFAOYSA-N 0 0 318.358 3.186 50 5 DGBARN COc1cc(N(C)CCOc2ccccc2C)ccc1[N+](=O)[O-] ZINC000076061477 431518146 /nfs/dbraw/zinc/51/81/46/431518146.db2.gz POAXCTKKYGFAON-UHFFFAOYSA-N 0 0 316.357 3.427 50 5 DGBARN Cc1ccc(-c2nonc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000011913836 431488038 /nfs/dbraw/zinc/48/80/38/431488038.db2.gz URJRXJIAARFSNK-UHFFFAOYSA-N 0 0 324.296 3.206 50 5 DGBARN O=[N+]([O-])c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000012082668 431490416 /nfs/dbraw/zinc/49/04/16/431490416.db2.gz MQIDOSZWOHIIJI-UHFFFAOYSA-N 0 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O=[N+]([O-])c1ccccc1OCCCOc1ccccc1[N+](=O)[O-] ZINC000002164711 431245097 /nfs/dbraw/zinc/24/50/97/431245097.db2.gz QFTHUUKTCANIBG-UHFFFAOYSA-N 0 0 318.285 3.351 50 5 DGBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002058200 431245128 /nfs/dbraw/zinc/24/51/28/431245128.db2.gz SXTHRSDWIHDTCU-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002493893 431255853 /nfs/dbraw/zinc/25/58/53/431255853.db2.gz KNQZDRMQDPWSQK-UHFFFAOYSA-N 0 0 315.285 3.318 50 5 DGBARN CC(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000002950980 431277982 /nfs/dbraw/zinc/27/79/82/431277982.db2.gz LPOAAPRLBPOQAU-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN COc1cc(C)ccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000002985412 431279030 /nfs/dbraw/zinc/27/90/30/431279030.db2.gz BCSBUEXCXNKVRM-UHFFFAOYSA-N 0 0 303.314 3.370 50 5 DGBARN CCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000003108206 431282340 /nfs/dbraw/zinc/28/23/40/431282340.db2.gz GYERGPUFVFWDRZ-UHFFFAOYSA-N 0 0 324.387 3.119 50 5 DGBARN CCc1ccc(NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000003223321 431287812 /nfs/dbraw/zinc/28/78/12/431287812.db2.gz OEJXDKGKLOBZHL-LBPRGKRZSA-N 0 0 316.361 3.170 50 5 DGBARN CC1CCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)CC1 ZINC000004981233 431302667 /nfs/dbraw/zinc/30/26/67/431302667.db2.gz QARGJUPFCWKBKI-UHFFFAOYSA-N 0 0 316.317 3.288 50 5 DGBARN O=[N+]([O-])c1ccccc1OCCCCSc1ncccn1 ZINC000005013438 431303820 /nfs/dbraw/zinc/30/38/20/431303820.db2.gz VQFYWPYVFMJYLP-UHFFFAOYSA-N 0 0 305.359 3.336 50 5 DGBARN C[C@H](Cc1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000071894053 431309677 /nfs/dbraw/zinc/30/96/77/431309677.db2.gz LLRAMKAPNQJDKE-SECBINFHSA-N 0 0 308.721 3.202 50 5 DGBARN COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002626246 431260815 /nfs/dbraw/zinc/26/08/15/431260815.db2.gz AHVMZJDIKRYQDU-UHFFFAOYSA-N 0 0 318.354 3.334 50 5 DGBARN COc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002631101 431261188 /nfs/dbraw/zinc/26/11/88/431261188.db2.gz HZHAXZAHAQQKKP-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN Cc1cnc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)s1 ZINC000002646083 431261269 /nfs/dbraw/zinc/26/12/69/431261269.db2.gz LWCRUMOKFFCYDB-UHFFFAOYSA-N 0 0 309.372 3.091 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 ZINC000002853626 431271508 /nfs/dbraw/zinc/27/15/08/431271508.db2.gz QZALBQGCDGAQSA-UHFFFAOYSA-N 0 0 315.285 3.010 50 5 DGBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCSC1CCCCC1 ZINC000002842038 431272433 /nfs/dbraw/zinc/27/24/33/431272433.db2.gz VJUSMFFKINJLSR-UHFFFAOYSA-N 0 0 322.430 3.319 50 5 DGBARN O=[N+]([O-])c1cc(F)ccc1NCCc1nc2ccccc2[nH]1 ZINC000007128877 431336039 /nfs/dbraw/zinc/33/60/39/431336039.db2.gz STSXHIRFNOTLDE-UHFFFAOYSA-N 0 0 300.293 3.265 50 5 DGBARN O=[N+]([O-])c1ccccc1NCCNc1ncnc2sccc21 ZINC000007365902 431343966 /nfs/dbraw/zinc/34/39/66/431343966.db2.gz KLWZAWVSBCBJPH-UHFFFAOYSA-N 0 0 315.358 3.124 50 5 DGBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nc(-c2cccs2)no1 ZINC000008782448 431416142 /nfs/dbraw/zinc/41/61/42/431416142.db2.gz SEIDYQHFMXZOLP-QMMMGPOBSA-N 0 0 319.346 3.015 50 5 DGBARN CCNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586868 431402131 /nfs/dbraw/zinc/40/21/31/431402131.db2.gz NKFLNAFAYJNGPC-UHFFFAOYSA-N 0 0 300.274 3.337 50 5 DGBARN Cc1cc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2n1 ZINC000011666345 431479187 /nfs/dbraw/zinc/47/91/87/431479187.db2.gz VOBAYMKAZRSYHV-UHFFFAOYSA-N 0 0 318.314 3.062 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C1CC1 ZINC000012910980 431535309 /nfs/dbraw/zinc/53/53/09/431535309.db2.gz YZAOSNVBJRZUEL-RMKNXTFCSA-N 0 0 312.325 3.392 50 5 DGBARN CC(=O)c1ccc(NC[C@](C)(O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000077236491 431575876 /nfs/dbraw/zinc/57/58/76/431575876.db2.gz CBRMCVICAWHGHI-HNNXBMFYSA-N 0 0 320.370 3.179 50 5 DGBARN O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000230119957 280357628 /nfs/dbraw/zinc/35/76/28/280357628.db2.gz WKSWVRWYGZFDGW-UKRRQHHQSA-N 0 0 310.781 3.392 50 5 DGBARN CN(Cc1ccccc1[N+](=O)[O-])c1nccc(C(F)(F)F)n1 ZINC000025495669 431656404 /nfs/dbraw/zinc/65/64/04/431656404.db2.gz GMOGKHAEMDWRQC-UHFFFAOYSA-N 0 0 312.251 3.040 50 5 DGBARN O=C(OCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000015275530 431606417 /nfs/dbraw/zinc/60/64/17/431606417.db2.gz RNUKQKFOJYDQPB-UHFFFAOYSA-N 0 0 311.677 3.077 50 5 DGBARN Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000017030921 431616863 /nfs/dbraw/zinc/61/68/63/431616863.db2.gz JTHDTHBDJZNLRS-UHFFFAOYSA-N 0 0 303.343 3.418 50 5 DGBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000025106150 431649084 /nfs/dbraw/zinc/64/90/84/431649084.db2.gz HGEQRSXMBJKEPK-SNVBAGLBSA-N 0 0 304.302 3.030 50 5 DGBARN C[C@@H](Sc1ccncc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119318763 431675227 /nfs/dbraw/zinc/67/52/27/431675227.db2.gz UECLUPGUDKZKLI-SNVBAGLBSA-N 0 0 303.343 3.109 50 5 DGBARN CCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000078671230 431692595 /nfs/dbraw/zinc/69/25/95/431692595.db2.gz PJMKSUXECWKQSX-CYBMUJFWSA-N 0 0 324.352 3.155 50 5 DGBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000028199356 431701065 /nfs/dbraw/zinc/70/10/65/431701065.db2.gz QAKLJPOXWJHLQY-VXGBXAGGSA-N 0 0 317.389 3.287 50 5 DGBARN C[C@H](OC(=O)c1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000032776054 431791318 /nfs/dbraw/zinc/79/13/18/431791318.db2.gz MILSURUPMKZVKL-NSHDSACASA-N 0 0 323.308 3.456 50 5 DGBARN C[C@H]1Cc2ccccc2N1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000032824968 431792995 /nfs/dbraw/zinc/79/29/95/431792995.db2.gz CDWHISYRADEKRL-JTQLQIEISA-N 0 0 311.345 3.042 50 5 DGBARN Cc1c(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000089540487 431869813 /nfs/dbraw/zinc/86/98/13/431869813.db2.gz DBWHHTWIZLRHMX-HNNXBMFYSA-N 0 0 322.405 3.359 50 5 DGBARN O=C(CC(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000089780821 431879028 /nfs/dbraw/zinc/87/90/28/431879028.db2.gz CGJOVXISHKNTOA-UHFFFAOYSA-N 0 0 302.252 3.038 50 5 DGBARN Cc1cccc([N+](=O)[O-])c1NCc1ccnc(-n2cccn2)c1 ZINC000095963726 431928817 /nfs/dbraw/zinc/92/88/17/431928817.db2.gz WHAYPMSBQSXXMD-UHFFFAOYSA-N 0 0 309.329 3.096 50 5 DGBARN O=[N+]([O-])c1cc(CSc2nnc3n2CCCCC3)cs1 ZINC000048620072 431929625 /nfs/dbraw/zinc/92/96/25/431929625.db2.gz AYMZNUPYPAUIEF-UHFFFAOYSA-N 0 0 310.404 3.267 50 5 DGBARN CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000096011412 431934109 /nfs/dbraw/zinc/93/41/09/431934109.db2.gz HUKZIKFKTBQCCQ-GWCFXTLKSA-N 0 0 309.366 3.158 50 5 DGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(Cl)n1C ZINC000096404455 431945703 /nfs/dbraw/zinc/94/57/03/431945703.db2.gz KWPISLLTUDWODA-JTQLQIEISA-N 0 0 308.769 3.175 50 5 DGBARN CC[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000096416626 431947008 /nfs/dbraw/zinc/94/70/08/431947008.db2.gz VBDNFEMYCAGCCX-HNNXBMFYSA-N 0 0 319.386 3.035 50 5 DGBARN COc1ccc(NC(C)=O)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000096446937 431950811 /nfs/dbraw/zinc/95/08/11/431950811.db2.gz DSFWEKPVGWPQOI-UHFFFAOYSA-N 0 0 315.329 3.174 50 5 DGBARN O=[N+]([O-])c1ccccc1CSc1nnc(N2CCCC2)s1 ZINC000052911604 431959087 /nfs/dbraw/zinc/95/90/87/431959087.db2.gz JANBYQSQBRKAFJ-UHFFFAOYSA-N 0 0 322.415 3.339 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1nccs1 ZINC000097103732 431961015 /nfs/dbraw/zinc/96/10/15/431961015.db2.gz UTQWELZNBCVGGT-VIFPVBQESA-N 0 0 306.347 3.242 50 5 DGBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CCOCC1 ZINC000097145797 431963637 /nfs/dbraw/zinc/96/36/37/431963637.db2.gz IXQFMJDGZOXTME-GFCCVEGCSA-N 0 0 321.377 3.148 50 5 DGBARN CNc1ccc(/C=C\c2ncc(C(=O)OC)s2)cc1[N+](=O)[O-] ZINC000097288651 431966721 /nfs/dbraw/zinc/96/67/21/431966721.db2.gz KGJNMZDLDZUWEH-XQRVVYSFSA-N 0 0 319.342 3.050 50 5 DGBARN C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100548066 431982017 /nfs/dbraw/zinc/98/20/17/431982017.db2.gz KPYIUCXVOGYSCQ-BLLLJJGKSA-N 0 0 324.336 3.278 50 5 DGBARN O=[N+]([O-])c1cccc(-c2noc(CNc3cccc(F)c3)n2)c1 ZINC000055824651 431985740 /nfs/dbraw/zinc/98/57/40/431985740.db2.gz UWFJYFXPVUQIQN-UHFFFAOYSA-N 0 0 314.276 3.396 50 5 DGBARN O=C(NC1CC1)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000058158870 431995515 /nfs/dbraw/zinc/99/55/15/431995515.db2.gz REWCEFOQCVCREO-UHFFFAOYSA-N 0 0 311.341 3.099 50 5 DGBARN Cc1c(CNc2ccc3ccn(C)c(=O)c3c2)cccc1[N+](=O)[O-] ZINC000253415822 432395332 /nfs/dbraw/zinc/39/53/32/432395332.db2.gz CFBAIGXCKJGOMV-UHFFFAOYSA-N 0 0 323.352 3.367 50 5 DGBARN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000253431588 432397472 /nfs/dbraw/zinc/39/74/72/432397472.db2.gz HPSSOCINMWIBLO-XYQMPLONSA-N 0 0 314.382 3.226 50 5 DGBARN COc1cccc(NCc2ccc([C@H](C)O)cc2)c1[N+](=O)[O-] ZINC000185233190 432481688 /nfs/dbraw/zinc/48/16/88/432481688.db2.gz UFCFTVNBZREGLF-NSHDSACASA-N 0 0 302.330 3.269 50 5 DGBARN CC(=O)c1ccc(N(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000273100651 432552005 /nfs/dbraw/zinc/55/20/05/432552005.db2.gz DZQPDKIIYWWHSC-SNVBAGLBSA-N 0 0 319.386 3.494 50 5 DGBARN Cc1nc2cc([N+](=O)[O-])ccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000000186943 282054865 /nfs/dbraw/zinc/05/48/65/282054865.db2.gz PWKPZWYKOSHDLE-UHFFFAOYSA-N 0 0 315.716 3.256 50 5 DGBARN COCCc1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000225544035 432694571 /nfs/dbraw/zinc/69/45/71/432694571.db2.gz NNXDOHUWHQXFGU-UHFFFAOYSA-N 0 0 315.738 3.081 50 5 DGBARN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000225560463 432695061 /nfs/dbraw/zinc/69/50/61/432695061.db2.gz OOTCRJIWYBQWJT-SECBINFHSA-N 0 0 321.768 3.349 50 5 DGBARN CC(=O)Nc1ccc2c(Br)cccc2c1[N+](=O)[O-] ZINC000223208857 432675676 /nfs/dbraw/zinc/67/56/76/432675676.db2.gz GROZQCMYLULHOS-UHFFFAOYSA-N 0 0 309.119 3.469 50 5 DGBARN COc1cc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000241815974 432817069 /nfs/dbraw/zinc/81/70/69/432817069.db2.gz SEPGCVNLAMZOMF-FMKPAKJESA-N 0 0 320.389 3.123 50 5 DGBARN CC(=O)c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000301986236 527318125 /nfs/dbraw/zinc/31/81/25/527318125.db2.gz CWVKFHZCTLJLLO-UHFFFAOYSA-N 0 0 305.721 3.458 50 5 DGBARN Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000008778628 545649419 /nfs/dbraw/zinc/64/94/19/545649419.db2.gz HYGGTHBZNLSQGG-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000081941038 192343937 /nfs/dbraw/zinc/34/39/37/192343937.db2.gz DHZXJZHWBFXUKF-MRVPVSSYSA-N 0 0 323.150 3.320 50 5 DGBARN O=[N+]([O-])c1cccnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000079109065 185158959 /nfs/dbraw/zinc/15/89/59/185158959.db2.gz REKRFWXMQZPENR-GFCCVEGCSA-N 0 0 319.386 3.237 50 5 DGBARN O=C(CN1CCCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006861850 190625150 /nfs/dbraw/zinc/62/51/50/190625150.db2.gz NVKUCQRRHBJMRJ-UHFFFAOYSA-N 0 0 311.769 3.063 50 5 DGBARN COc1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000084070357 192399510 /nfs/dbraw/zinc/39/95/10/192399510.db2.gz VTEQNLUTFUFYMX-NSHDSACASA-N 0 0 315.329 3.043 50 5 DGBARN Cc1cc([N+](=O)[O-])cc(C)c1NS(=O)(=O)c1ccccc1 ZINC000071769586 191030053 /nfs/dbraw/zinc/03/00/53/191030053.db2.gz LSKOAJUETCTDEH-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN Cc1nn(C)c(COC(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000000120388 180699404 /nfs/dbraw/zinc/69/94/04/180699404.db2.gz RLMBQKNQUOHVQP-UHFFFAOYSA-N 0 0 324.724 3.039 50 5 DGBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1 ZINC000000193210 180720878 /nfs/dbraw/zinc/72/08/78/180720878.db2.gz GUTXURBXKUNXMM-MRXNPFEDSA-N 0 0 314.366 3.369 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1nccs1 ZINC000072662643 191209740 /nfs/dbraw/zinc/20/97/40/191209740.db2.gz UPNADVCMXHSZHM-UHFFFAOYSA-N 0 0 307.375 3.085 50 5 DGBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3ccccc32)n1 ZINC000000355806 180765227 /nfs/dbraw/zinc/76/52/27/180765227.db2.gz GRUPTAGPGRGMPG-UHFFFAOYSA-N 0 0 310.313 3.217 50 5 DGBARN C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000460826 180797800 /nfs/dbraw/zinc/79/78/00/180797800.db2.gz ZAONBTNPYQACPN-SNVBAGLBSA-N 0 0 304.277 3.140 50 5 DGBARN COc1ccccc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471627 180801630 /nfs/dbraw/zinc/80/16/30/180801630.db2.gz XUTZHTXPNSSXGY-LBPRGKRZSA-N 0 0 314.341 3.023 50 5 DGBARN O=C1[C@H](Sc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067428326 432030817 /nfs/dbraw/zinc/03/08/17/432030817.db2.gz MXXDXCNXQVKHSX-OAHLLOKOSA-N 0 0 314.366 3.492 50 5 DGBARN O=C(C=Cc1cccs1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000567684 180823156 /nfs/dbraw/zinc/82/31/56/180823156.db2.gz NGTYZXUZNXEYJR-BQYQJAHWSA-N 0 0 317.322 3.096 50 5 DGBARN CC(C)(C)OC(=O)N1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC000002563888 180935841 /nfs/dbraw/zinc/93/58/41/180935841.db2.gz QQKRXIBPRNXHHS-UHFFFAOYSA-N 0 0 322.361 3.373 50 5 DGBARN CCOc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1 ZINC000002991160 180975345 /nfs/dbraw/zinc/97/53/45/180975345.db2.gz POCDQCMIQGKBBQ-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003253294 180996891 /nfs/dbraw/zinc/99/68/91/180996891.db2.gz QYPUPJGAFIUEEM-LLVKDONJSA-N 0 0 320.345 3.045 50 5 DGBARN CCOc1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000003330606 181006610 /nfs/dbraw/zinc/00/66/10/181006610.db2.gz LCWWIXUWXSAGOE-UHFFFAOYSA-N 0 0 317.297 3.221 50 5 DGBARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003448236 181021774 /nfs/dbraw/zinc/02/17/74/181021774.db2.gz RKGXKXKSODUTSS-UHFFFAOYSA-N 0 0 324.749 3.229 50 5 DGBARN CC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000003877462 181051711 /nfs/dbraw/zinc/05/17/11/181051711.db2.gz NZXMSLNLTAUBHE-UHFFFAOYSA-N 0 0 301.258 3.449 50 5 DGBARN CCc1ccccc1OCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004056347 181067215 /nfs/dbraw/zinc/06/72/15/181067215.db2.gz LRNCHDYFBIKBFF-UHFFFAOYSA-N 0 0 314.341 3.483 50 5 DGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCn1ccnc1 ZINC000004300341 181094118 /nfs/dbraw/zinc/09/41/18/181094118.db2.gz DTWYXMBWTASCTF-UHFFFAOYSA-N 0 0 314.267 3.312 50 5 DGBARN CC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004438680 181109655 /nfs/dbraw/zinc/10/96/55/181109655.db2.gz 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Cc1sc(C(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000024440286 182380851 /nfs/dbraw/zinc/38/08/51/182380851.db2.gz IASOEUMZIHDVOX-UHFFFAOYSA-N 0 0 302.315 3.093 50 5 DGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccnc1 ZINC000024975839 182396838 /nfs/dbraw/zinc/39/68/38/182396838.db2.gz NIQMKBFHAIKJRI-SCOAYWHSSA-N 0 0 323.352 3.367 50 5 DGBARN CCOCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000030179545 182585778 /nfs/dbraw/zinc/58/57/78/182585778.db2.gz USOXLOHPTNEHAS-UHFFFAOYSA-N 0 0 314.341 3.061 50 5 DGBARN CCOC(=O)[C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039401193 183018285 /nfs/dbraw/zinc/01/82/85/183018285.db2.gz AJBKHKJPOVZUOE-HNNXBMFYSA-N 0 0 301.298 3.278 50 5 DGBARN C[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040079780 183032077 /nfs/dbraw/zinc/03/20/77/183032077.db2.gz FMQMZCTYBBTCNL-NSHDSACASA-N 0 0 324.340 3.304 50 5 DGBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2[nH]ncc21 ZINC000042056662 183231100 /nfs/dbraw/zinc/23/11/00/183231100.db2.gz 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285105629 /nfs/dbraw/zinc/10/56/29/285105629.db2.gz AHDWTFBJCPOBGU-UHFFFAOYSA-N 0 0 312.241 3.220 50 5 DGBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000000467930 285105650 /nfs/dbraw/zinc/10/56/50/285105650.db2.gz LSXCCXTZKAXEMG-UHFFFAOYSA-N 0 0 311.253 3.041 50 5 DGBARN COc1ccc(CCNc2ccccc2[N+](=O)[O-])cc1OC ZINC000004347981 256517300 /nfs/dbraw/zinc/51/73/00/256517300.db2.gz WTYHBBAKTOTGDL-UHFFFAOYSA-N 0 0 302.330 3.267 50 5 DGBARN COC(=O)Cc1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000000136348 257266431 /nfs/dbraw/zinc/26/64/31/257266431.db2.gz MKGZWRRWVDROPR-UHFFFAOYSA-N 0 0 303.339 3.462 50 5 DGBARN O=[N+]([O-])c1ccc(F)cc1OCc1nc(-c2cccs2)no1 ZINC000004686676 257267599 /nfs/dbraw/zinc/26/75/99/257267599.db2.gz XIJRKMRFFKNHEO-UHFFFAOYSA-N 0 0 321.289 3.424 50 5 DGBARN CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000071817203 184850732 /nfs/dbraw/zinc/85/07/32/184850732.db2.gz ABPVPJIGTMNXFF-UHFFFAOYSA-N 0 0 317.389 3.067 50 5 DGBARN Cn1ccnc1Sc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 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CC(=O)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000265930 431156455 /nfs/dbraw/zinc/15/64/55/431156455.db2.gz JODYLBSAUUOWOK-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN COc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288685 431159092 /nfs/dbraw/zinc/15/90/92/431159092.db2.gz VFBZWJANJMOXTG-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN O=[N+]([O-])c1nn(Cc2ccccc2Cl)cc1Br ZINC000000614329 431204820 /nfs/dbraw/zinc/20/48/20/431204820.db2.gz GNQRKLOAFQKGQB-UHFFFAOYSA-N 0 0 316.542 3.256 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1OCc1noc2c1CCCC2 ZINC000069630422 431206838 /nfs/dbraw/zinc/20/68/38/431206838.db2.gz DBSZHXZSUXBGPE-UHFFFAOYSA-N 0 0 304.302 3.049 50 5 DGBARN COc1ccc(-n2cc(C=O)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000732214 431208172 /nfs/dbraw/zinc/20/81/72/431208172.db2.gz GODZSYHPPFRLTA-UHFFFAOYSA-N 0 0 323.308 3.269 50 5 DGBARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000860046 431209518 /nfs/dbraw/zinc/20/95/18/431209518.db2.gz OKMRBROQHLYMHT-CQSZACIVSA-N 0 0 312.369 3.275 50 5 DGBARN CCOCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069657929 431209968 /nfs/dbraw/zinc/20/99/68/431209968.db2.gz GPIKETLKMXMDQU-UHFFFAOYSA-N 0 0 312.753 3.028 50 5 DGBARN COC(=O)c1sccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001200653 431217412 /nfs/dbraw/zinc/21/74/12/431217412.db2.gz VZIAOMQLEQCUCO-UHFFFAOYSA-N 0 0 320.326 3.004 50 5 DGBARN CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000069809663 431222022 /nfs/dbraw/zinc/22/20/22/431222022.db2.gz HVTAHNBPBZGRII-GFCCVEGCSA-N 0 0 319.386 3.170 50 5 DGBARN Cc1ccc2nc(=O)c3cc(F)c(N4CCCC4)c(F)c3n2c1 ZINC000001424541 431224972 /nfs/dbraw/zinc/22/49/72/431224972.db2.gz MUFMDHGUWHQUMM-UHFFFAOYSA-N 0 0 315.323 3.035 50 5 DGBARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 ZINC000001458158 431228937 /nfs/dbraw/zinc/22/89/37/431228937.db2.gz NUWMYORLVFUAAR-SFYZADRCSA-N 0 0 306.240 3.039 50 5 DGBARN O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000069898783 431232059 /nfs/dbraw/zinc/23/20/59/431232059.db2.gz MVDURMQLNSVLJV-UHFFFAOYSA-N 0 0 314.345 3.003 50 5 DGBARN CN(Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000001741734 431239494 /nfs/dbraw/zinc/23/94/94/431239494.db2.gz SBWRWJOFQLNTDL-UHFFFAOYSA-N 0 0 303.293 3.398 50 5 DGBARN O=C(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003093869 431280204 /nfs/dbraw/zinc/28/02/04/431280204.db2.gz CJEQXOUSAMWFCK-UHFFFAOYSA-N 0 0 323.211 3.034 50 5 DGBARN O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003152018 431284384 /nfs/dbraw/zinc/28/43/84/431284384.db2.gz WSDHQVWNYXYMCJ-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN O=C1N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000003239734 431288109 /nfs/dbraw/zinc/28/81/09/431288109.db2.gz QXSNGLOPGJMYRX-ZDUSSCGKSA-N 0 0 303.705 3.102 50 5 DGBARN CC(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071899469 431310074 /nfs/dbraw/zinc/31/00/74/431310074.db2.gz BAQPWHBTCYSBPT-UHFFFAOYSA-N 0 0 305.378 3.044 50 5 DGBARN O=C(C[C@H](SCCO)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000002637956 431260542 /nfs/dbraw/zinc/26/05/42/431260542.db2.gz OFMNVGMMQFXGPK-HNNXBMFYSA-N 0 0 321.354 3.227 50 5 DGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 ZINC000002662171 431264337 /nfs/dbraw/zinc/26/43/37/431264337.db2.gz JGWWTCSLNVHUMW-UHFFFAOYSA-N 0 0 320.345 3.142 50 5 DGBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 ZINC000002802072 431269569 /nfs/dbraw/zinc/26/95/69/431269569.db2.gz PXDUCXSIJTWQDD-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1noc2c1CCCC2 ZINC000002808520 431270547 /nfs/dbraw/zinc/27/05/47/431270547.db2.gz OZRYZBQOZZEDQW-UHFFFAOYSA-N 0 0 321.720 3.367 50 5 DGBARN O=C(Oc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002779485 431270707 /nfs/dbraw/zinc/27/07/07/431270707.db2.gz MXIAEZQGOGOTOH-UHFFFAOYSA-N 0 0 322.660 3.376 50 5 DGBARN O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1 ZINC000006848263 431321783 /nfs/dbraw/zinc/32/17/83/431321783.db2.gz DBHHZLOWROSAOM-UHFFFAOYSA-N 0 0 313.718 3.016 50 5 DGBARN CC(C)=CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006989119 431327331 /nfs/dbraw/zinc/32/73/31/431327331.db2.gz IJBTYWLFTALHEW-JTQLQIEISA-N 0 0 317.301 3.215 50 5 DGBARN Cc1ccc(OCc2cc(-c3ccco3)on2)c([N+](=O)[O-])n1 ZINC000007229627 431338992 /nfs/dbraw/zinc/33/89/92/431338992.db2.gz JEIVKQXTBLBKPO-UHFFFAOYSA-N 0 0 301.258 3.125 50 5 DGBARN CSc1ccc(C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000007699045 431360238 /nfs/dbraw/zinc/36/02/38/431360238.db2.gz HTRAOLORVQMMLB-UHFFFAOYSA-N 0 0 302.355 3.247 50 5 DGBARN Cc1nnc(SCc2nc3ccccc3c3ccccc23)n1N ZINC000007786147 431364052 /nfs/dbraw/zinc/36/40/52/431364052.db2.gz IRWLXQWZNHQBNV-UHFFFAOYSA-N 0 0 321.409 3.294 50 5 DGBARN Cc1csc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000008776487 431415913 /nfs/dbraw/zinc/41/59/13/431415913.db2.gz QTRVKOAGKQGOQK-SECBINFHSA-N 0 0 323.399 3.479 50 5 DGBARN COc1ccc(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000008148137 431380967 /nfs/dbraw/zinc/38/09/67/431380967.db2.gz RHQNRMUUXLOTDG-UHFFFAOYSA-N 0 0 314.341 3.461 50 5 DGBARN Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000008148806 431382236 /nfs/dbraw/zinc/38/22/36/431382236.db2.gz PYOABCOCNSQHIT-UHFFFAOYSA-N 0 0 321.354 3.407 50 5 DGBARN Cc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])cn2c1 ZINC000008232006 431388645 /nfs/dbraw/zinc/38/86/45/431388645.db2.gz SLITUPWYOGJHNZ-UHFFFAOYSA-N 0 0 301.277 3.269 50 5 DGBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C1CC1 ZINC000008395222 431396339 /nfs/dbraw/zinc/39/63/39/431396339.db2.gz QMPTUKVNMKGQCJ-UHFFFAOYSA-N 0 0 316.361 3.044 50 5 DGBARN COc1ccc(C(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000010446389 431464276 /nfs/dbraw/zinc/46/42/76/431464276.db2.gz UMSDBLNFOGDMOB-SNVBAGLBSA-N 0 0 319.288 3.393 50 5 DGBARN CC(=O)Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000011613897 431477840 /nfs/dbraw/zinc/47/78/40/431477840.db2.gz CITOKVYEONQZRJ-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN CSc1ccc(C(=O)Nc2ncccc2C)cc1[N+](=O)[O-] ZINC000009316368 431430335 /nfs/dbraw/zinc/43/03/35/431430335.db2.gz XPUJNFQPUSSXFA-UHFFFAOYSA-N 0 0 303.343 3.272 50 5 DGBARN Cc1nn(Cc2nc(-c3ccccc3)oc2C)c(C)c1[N+](=O)[O-] ZINC000012238842 431497146 /nfs/dbraw/zinc/49/71/46/431497146.db2.gz COQWVWHCAJMRHD-UHFFFAOYSA-N 0 0 312.329 3.420 50 5 DGBARN O=C(NCC1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012521725 431513666 /nfs/dbraw/zinc/51/36/66/431513666.db2.gz QHXASMDXZGOQFV-UHFFFAOYSA-N 0 0 311.341 3.478 50 5 DGBARN O=C(NCc1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000076489001 431553542 /nfs/dbraw/zinc/55/35/42/431553542.db2.gz GIZIEPMEJWRLFC-UHFFFAOYSA-N 0 0 322.324 3.465 50 5 DGBARN O=[N+]([O-])c1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1 ZINC000034571701 280362998 /nfs/dbraw/zinc/36/29/98/280362998.db2.gz FHMVVEJYBMMVDJ-UHFFFAOYSA-N 0 0 305.717 3.496 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)c(Br)c1 ZINC000169725383 280365650 /nfs/dbraw/zinc/36/56/50/280365650.db2.gz BCNDGYHKMQHAGE-UHFFFAOYSA-N 0 0 307.094 3.203 50 5 DGBARN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC000253416853 280379084 /nfs/dbraw/zinc/37/90/84/280379084.db2.gz CFQWPMSRGVFEHT-CYBMUJFWSA-N 0 0 304.737 3.380 50 5 DGBARN COC(=O)c1ccc(Nc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000014203651 431585521 /nfs/dbraw/zinc/58/55/21/431585521.db2.gz QDNCKVULDRNQKU-UHFFFAOYSA-N 0 0 302.286 3.134 50 5 DGBARN O=[N+]([O-])c1c(N2CCC[C@H]2Cc2ccccc2)nc2ccccn21 ZINC000026141724 431668501 /nfs/dbraw/zinc/66/85/01/431668501.db2.gz JKYXEOAZECCCMR-HNNXBMFYSA-N 0 0 322.368 3.454 50 5 DGBARN Cc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031546727 431757683 /nfs/dbraw/zinc/75/76/83/431757683.db2.gz SJOARRQVIJMDST-UHFFFAOYSA-N 0 0 300.314 3.311 50 5 DGBARN C[C@@H](C1CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032907033 431799745 /nfs/dbraw/zinc/79/97/45/431799745.db2.gz PBJILSNIRKMWRJ-LBPRGKRZSA-N 0 0 317.389 3.066 50 5 DGBARN CN(CCOc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033040291 431806946 /nfs/dbraw/zinc/80/69/46/431806946.db2.gz JFDFZQGSTDALGE-UHFFFAOYSA-N 0 0 315.329 3.138 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2ccccc2)n1 ZINC000033158529 431807920 /nfs/dbraw/zinc/80/79/20/431807920.db2.gz LGHINGYPFHBPKW-UHFFFAOYSA-N 0 0 308.297 3.033 50 5 DGBARN COC[C@@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000084147822 431817160 /nfs/dbraw/zinc/81/71/60/431817160.db2.gz JFLCTXVFXBNOSP-CYBMUJFWSA-N 0 0 321.377 3.102 50 5 DGBARN Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000000283345 280801194 /nfs/dbraw/zinc/80/11/94/280801194.db2.gz PTFKVTRZTXIOHQ-XNTDXEJSSA-N 0 0 308.293 3.248 50 5 DGBARN O=[N+]([O-])c1cc(Cl)ccc1Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000048260837 431921521 /nfs/dbraw/zinc/92/15/21/431921521.db2.gz SACPMQLISCPFGK-LBPRGKRZSA-N 0 0 322.752 3.367 50 5 DGBARN CCc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1[N+](=O)[O-] ZINC000045157494 431882749 /nfs/dbraw/zinc/88/27/49/431882749.db2.gz HOYYNCYXISDPJN-UHFFFAOYSA-N 0 0 324.340 3.366 50 5 DGBARN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000046179657 431894892 /nfs/dbraw/zinc/89/48/92/431894892.db2.gz UHSWDLGXAKKARD-UHFFFAOYSA-N 0 0 314.341 3.314 50 5 DGBARN O=C(CC[C@H]1CCCOC1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000095963551 431929195 /nfs/dbraw/zinc/92/91/95/431929195.db2.gz UDTCDGBDOQHORF-CYBMUJFWSA-N 0 0 318.373 3.081 50 5 DGBARN CN(Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000095982608 431931802 /nfs/dbraw/zinc/93/18/02/431931802.db2.gz VIMYHJXENBYQJA-UHFFFAOYSA-N 0 0 323.356 3.012 50 5 DGBARN CCO[C@@H](C)c1nc(COc2cccnc2[N+](=O)[O-])cs1 ZINC000096424825 431948011 /nfs/dbraw/zinc/94/80/11/431948011.db2.gz ATAHJPKBFRWWTB-VIFPVBQESA-N 0 0 309.347 3.123 50 5 DGBARN Cc1ccc(-c2nnc([C@@H](C)n3cc([N+](=O)[O-])cn3)o2)cc1C ZINC000097047987 431957795 /nfs/dbraw/zinc/95/77/95/431957795.db2.gz JQNSTFVVPHQWQX-LLVKDONJSA-N 0 0 313.317 3.067 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000055543911 431983416 /nfs/dbraw/zinc/98/34/16/431983416.db2.gz 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CC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000614132 545644640 /nfs/dbraw/zinc/64/46/40/545644640.db2.gz JDOIWOFBUGHZFR-UHFFFAOYSA-N 0 0 313.309 3.083 50 5 DGBARN CCOC[C@H]1CCN(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000081606708 545771558 /nfs/dbraw/zinc/77/15/58/545771558.db2.gz QQHUSEUCBJDUMP-LBPRGKRZSA-N 0 0 321.377 3.048 50 5 DGBARN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@H]1COc2ccccc21 ZINC000084086167 545785221 /nfs/dbraw/zinc/78/52/21/545785221.db2.gz MUWRXNWVLSXMCS-AWEZNQCLSA-N 0 0 312.325 3.326 50 5 DGBARN CCS(=O)(=O)c1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000083141588 185214173 /nfs/dbraw/zinc/21/41/73/185214173.db2.gz FCNHTMHAZZIBMI-UHFFFAOYSA-N 0 0 320.370 3.001 50 5 DGBARN CSC(C)(C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097010415 185396773 /nfs/dbraw/zinc/39/67/73/185396773.db2.gz IYSBEZLKGDCOMC-JTQLQIEISA-N 0 0 311.407 3.097 50 5 DGBARN CCN(Cc1ncoc1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000095458179 185370487 /nfs/dbraw/zinc/37/04/87/185370487.db2.gz 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CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000020448530 182218604 /nfs/dbraw/zinc/21/86/04/182218604.db2.gz RTMFJSBWASULJA-JTQLQIEISA-N 0 0 304.302 3.078 50 5 DGBARN O=[N+]([O-])c1cccc(CSc2nnc3n2CCCCC3)c1 ZINC000025020349 182399705 /nfs/dbraw/zinc/39/97/05/182399705.db2.gz NRPUKQZPBCPGSI-UHFFFAOYSA-N 0 0 304.375 3.205 50 5 DGBARN O=[N+]([O-])c1cc(Br)cnc1NCc1ccccc1 ZINC000039956553 183024251 /nfs/dbraw/zinc/02/42/51/183024251.db2.gz IAWNGUVINRYLKT-UHFFFAOYSA-N 0 0 308.135 3.364 50 5 DGBARN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000040119627 183037539 /nfs/dbraw/zinc/03/75/39/183037539.db2.gz VOHSTUGOHMELSS-MRVPVSSYSA-N 0 0 316.292 3.077 50 5 DGBARN O=[N+]([O-])c1cccnc1NCc1ccnc(OC2CCCC2)c1 ZINC000042107944 183233005 /nfs/dbraw/zinc/23/30/05/183233005.db2.gz YWSBWANYZMEJFQ-UHFFFAOYSA-N 0 0 314.345 3.318 50 5 DGBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000052360219 183859114 /nfs/dbraw/zinc/85/91/14/183859114.db2.gz 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/nfs/dbraw/zinc/16/77/48/285167748.db2.gz LXFFYQXEQDAEIN-UHFFFAOYSA-N 0 0 323.337 3.452 50 5 DGBARN O=C1N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000003239735 296395157 /nfs/dbraw/zinc/39/51/57/296395157.db2.gz QXSNGLOPGJMYRX-CYBMUJFWSA-N 0 0 303.705 3.102 50 5 DGBARN C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000006623537 296401000 /nfs/dbraw/zinc/40/10/00/296401000.db2.gz MUWKSPZOWMVZIX-GFCCVEGCSA-N 0 0 319.405 3.359 50 5 DGBARN CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000029147944 257269475 /nfs/dbraw/zinc/26/94/75/257269475.db2.gz BYJPBWHSSCVCRL-LBPRGKRZSA-N 0 0 314.370 3.428 50 5 DGBARN O=C([C@H]1CCOC1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069700958 184837971 /nfs/dbraw/zinc/83/79/71/184837971.db2.gz JLSNYUBVMZKNOY-NSHDSACASA-N 0 0 324.764 3.028 50 5 DGBARN Cc1nn(C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000071904215 184897680 /nfs/dbraw/zinc/89/76/80/184897680.db2.gz WAVXIMUHQRRNDB-SNVBAGLBSA-N 0 0 311.345 3.358 50 5 DGBARN O=c1c2ccc(Cl)cc2ncn1Cc1ccccc1[N+](=O)[O-] ZINC000005717325 296528921 /nfs/dbraw/zinc/52/89/21/296528921.db2.gz QZNWUKUZWBESJM-UHFFFAOYSA-N 0 0 315.716 3.006 50 5 DGBARN CCC(=O)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000005710643 400090143 /nfs/dbraw/zinc/09/01/43/400090143.db2.gz IFOGPAAIWXVBCT-UHFFFAOYSA-N 0 0 312.325 3.487 50 5 DGBARN CSC[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072292583 400379258 /nfs/dbraw/zinc/37/92/58/400379258.db2.gz RDUHULZTOJOTNP-NSHDSACASA-N 0 0 309.391 3.120 50 5 DGBARN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CC[C@@H]1CCCO1 ZINC000072288222 400378252 /nfs/dbraw/zinc/37/82/52/400378252.db2.gz OCGKXEGOZUEKRV-JTQLQIEISA-N 0 0 312.753 3.454 50 5 DGBARN C[C@H](NC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000055329156 400863669 /nfs/dbraw/zinc/86/36/69/400863669.db2.gz DABNRLQIXXLCEM-JTQLQIEISA-N 0 0 305.359 3.217 50 5 DGBARN CC[C@H](NC(=O)N1CCCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000090687765 401271648 /nfs/dbraw/zinc/27/16/48/401271648.db2.gz RIGCMUJUPJZBBS-AWEZNQCLSA-N 0 0 323.418 3.194 50 5 DGBARN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccs1 ZINC000000253509 274996615 /nfs/dbraw/zinc/99/66/15/274996615.db2.gz GRMVEFCMZGNFGF-UHFFFAOYSA-N 0 0 316.294 3.015 50 5 DGBARN O=C1c2cccc(Cl)c2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004100051 275031138 /nfs/dbraw/zinc/03/11/38/275031138.db2.gz YIJUDQXOJNECLX-UHFFFAOYSA-N 0 0 302.673 3.049 50 5 DGBARN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc12 ZINC000000292563 275044276 /nfs/dbraw/zinc/04/42/76/275044276.db2.gz VVTOWPARBGUDAE-UHFFFAOYSA-N 0 0 302.673 3.417 50 5 DGBARN CSc1ccc([N+](=O)[O-])cc1-c1n[nH]cc1Br ZINC000000125426 277533587 /nfs/dbraw/zinc/53/35/87/277533587.db2.gz YNFGCIKAXIPGHN-UHFFFAOYSA-N 0 0 314.164 3.469 50 5 DGBARN COc1ccc(-c2cc3c4ccccc4oc(=O)c3c(=O)[nH]2)cc1 ZINC000000035031 277859594 /nfs/dbraw/zinc/85/95/94/277859594.db2.gz GCTZENACZRMWBL-UHFFFAOYSA-N 0 0 319.316 3.310 50 5 DGBARN COc1nc(C)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000498623 278083196 /nfs/dbraw/zinc/08/31/96/278083196.db2.gz LGTUGBPTWLLWFZ-UHFFFAOYSA-N 0 0 312.285 3.024 50 5 DGBARN C/C(=C1/N=C(c2ccccc2)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC000000060533 431116505 /nfs/dbraw/zinc/11/65/05/431116505.db2.gz LRDFGGPMUHWOLP-PTNGSMBKSA-N 0 0 308.293 3.329 50 5 DGBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(Cl)c1 ZINC000075127483 279013063 /nfs/dbraw/zinc/01/30/63/279013063.db2.gz FOXUOPLMAWGCEK-SECBINFHSA-N 0 0 317.732 3.235 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccn2)CCCCC1=O ZINC000000167394 431137792 /nfs/dbraw/zinc/13/77/92/431137792.db2.gz RPCBIMQOUODXBX-GOSISDBHSA-N 0 0 324.336 3.254 50 5 DGBARN O=[N+]([O-])c1c[nH]nc1-c1ccc(-n2cnc(Cl)c2Cl)cc1 ZINC000000161113 431135849 /nfs/dbraw/zinc/13/58/49/431135849.db2.gz LRXHXKYRABYJFZ-UHFFFAOYSA-N 0 0 324.127 3.477 50 5 DGBARN Cc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000176782 431140082 /nfs/dbraw/zinc/14/00/82/431140082.db2.gz DHKDKWWHRCKZCI-DHDCSXOGSA-N 0 0 308.293 3.248 50 5 DGBARN Cc1ccc(NC(=O)COc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC000000308609 431163180 /nfs/dbraw/zinc/16/31/80/431163180.db2.gz XAXXKKKRRDZZBK-ZHACJKMWSA-N 0 0 312.325 3.260 50 5 DGBARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000312993 431164844 /nfs/dbraw/zinc/16/48/44/431164844.db2.gz WCXWRQHRYBYAMT-GFCCVEGCSA-N 0 0 313.309 3.331 50 5 DGBARN O=Cc1cc(Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000316543 431164907 /nfs/dbraw/zinc/16/49/07/431164907.db2.gz CYTPOMWHVNYMDQ-UHFFFAOYSA-N 0 0 305.673 3.280 50 5 DGBARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000371375 431173851 /nfs/dbraw/zinc/17/38/51/431173851.db2.gz BSCJSIJLHYMUPO-LLVKDONJSA-N 0 0 318.304 3.448 50 5 DGBARN Cc1c(NC(=O)[C@@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000000456972 431185485 /nfs/dbraw/zinc/18/54/85/431185485.db2.gz COQFLLJLASBMII-GFCCVEGCSA-N 0 0 300.314 3.309 50 5 DGBARN COC(=O)c1cn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000000455338 431185786 /nfs/dbraw/zinc/18/57/86/431185786.db2.gz WIYUQIAVNMPNNF-UHFFFAOYSA-N 0 0 324.292 3.025 50 5 DGBARN COc1ccc(OC)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000000463867 431188757 /nfs/dbraw/zinc/18/87/57/431188757.db2.gz XYFGDSSVTSTQFH-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN COc1nc(C)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000498622 431194768 /nfs/dbraw/zinc/19/47/68/431194768.db2.gz CWWCCFQBVNFODQ-UHFFFAOYSA-N 0 0 312.285 3.024 50 5 DGBARN CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21 ZINC000000212647 431147957 /nfs/dbraw/zinc/14/79/57/431147957.db2.gz ZDKLLWHULUEJNW-UHFFFAOYSA-N 0 0 319.744 3.399 50 5 DGBARN O=C(CC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000000225916 431147984 /nfs/dbraw/zinc/14/79/84/431147984.db2.gz QOEJFRSKDRCMNZ-UHFFFAOYSA-N 0 0 318.716 3.460 50 5 DGBARN Cc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000000226804 431148288 /nfs/dbraw/zinc/14/82/88/431148288.db2.gz RCKMDFKYZKSOKU-NSHDSACASA-N 0 0 300.314 3.209 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cncc(Br)c1 ZINC000000242072 431150397 /nfs/dbraw/zinc/15/03/97/431150397.db2.gz DWNVCZZFVPTRIU-UHFFFAOYSA-N 0 0 322.118 3.005 50 5 DGBARN CC[C@@H](Sc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000620777 431206544 /nfs/dbraw/zinc/20/65/44/431206544.db2.gz VULGQVCUSZRRMR-CYBMUJFWSA-N 0 0 317.370 3.499 50 5 DGBARN COc1ccc(-n2cc(C=O)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000732213 431208050 /nfs/dbraw/zinc/20/80/50/431208050.db2.gz LOXGWKKHAZIINJ-UHFFFAOYSA-N 0 0 323.308 3.269 50 5 DGBARN CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000000884868 431210498 /nfs/dbraw/zinc/21/04/98/431210498.db2.gz KANZQKDQCCPTAP-UHFFFAOYSA-N 0 0 317.301 3.179 50 5 DGBARN CCC(C)(C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000001005745 431211084 /nfs/dbraw/zinc/21/10/84/431211084.db2.gz ORVJNLHVHJVTNR-UHFFFAOYSA-N 0 0 320.374 3.386 50 5 DGBARN Cc1nn([C@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000001067729 431213991 /nfs/dbraw/zinc/21/39/91/431213991.db2.gz CIXXPXHOSPLNPD-CYBMUJFWSA-N 0 0 316.361 3.225 50 5 DGBARN Cc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1[N+](=O)[O-] ZINC000002550752 431258620 /nfs/dbraw/zinc/25/86/20/431258620.db2.gz OUNRBLHXLAQSBN-UHFFFAOYSA-N 0 0 320.374 3.206 50 5 DGBARN O=C1NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000001787746 431239405 /nfs/dbraw/zinc/23/94/05/431239405.db2.gz JVYYPXLIZVPGAD-KPKJPENVSA-N 0 0 316.294 3.179 50 5 DGBARN COc1cccc(OC)c1OCCOc1ccccc1[N+](=O)[O-] ZINC000002987021 431279300 /nfs/dbraw/zinc/27/93/00/431279300.db2.gz ZSGMFHZSGCSUHE-UHFFFAOYSA-N 0 0 319.313 3.070 50 5 DGBARN O=C(OC(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000003098195 431281656 /nfs/dbraw/zinc/28/16/56/431281656.db2.gz TVDPNCLYRNJPDQ-UHFFFAOYSA-N 0 0 317.141 3.245 50 5 DGBARN Cc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000003148363 431285153 /nfs/dbraw/zinc/28/51/53/431285153.db2.gz PJNWKWJELQOMOC-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(C)(C)C)nc21 ZINC000003200977 431287829 /nfs/dbraw/zinc/28/78/29/431287829.db2.gz DFBSMXHLDCZZDJ-UHFFFAOYSA-N 0 0 309.347 3.198 50 5 DGBARN O=C1CCC(c2ccc(F)cc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000004300640 431296970 /nfs/dbraw/zinc/29/69/70/431296970.db2.gz GJUYQSQDRBXKDU-UHFFFAOYSA-N 0 0 313.288 3.265 50 5 DGBARN O=C1N/C(=C\c2ccc3ccccc3n2)c2c1cccc2[N+](=O)[O-] ZINC000004116428 431296990 /nfs/dbraw/zinc/29/69/90/431296990.db2.gz GCSHNQBMOPLRDP-GDNBJRDFSA-N 0 0 317.304 3.385 50 5 DGBARN COc1cccc(OC)c1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004348036 431301667 /nfs/dbraw/zinc/30/16/67/431301667.db2.gz MFHCFZJLUKVPMD-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN Cc1nn([C@H](C)C(=O)c2ccc(C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000002628071 431260039 /nfs/dbraw/zinc/26/00/39/431260039.db2.gz YZOHQTKMEWMIJB-CYBMUJFWSA-N 0 0 301.346 3.469 50 5 DGBARN Cc1nn(CC(=O)Nc2ccc3ccccc3c2)c(C)c1[N+](=O)[O-] ZINC000002634390 431260085 /nfs/dbraw/zinc/26/00/85/431260085.db2.gz PIPNPYQROOSJPY-UHFFFAOYSA-N 0 0 324.340 3.200 50 5 DGBARN O=C(NCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002864984 431273451 /nfs/dbraw/zinc/27/34/51/431273451.db2.gz DQLZDLIFGIQMJF-UHFFFAOYSA-N 0 0 320.732 3.057 50 5 DGBARN Cn1ccnc1SCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000007129453 431335772 /nfs/dbraw/zinc/33/57/72/431335772.db2.gz PSMCECVNFWTFIL-UHFFFAOYSA-N 0 0 312.782 3.186 50 5 DGBARN Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000007405667 431345626 /nfs/dbraw/zinc/34/56/26/431345626.db2.gz QPPHRFJSVQHMGU-UHFFFAOYSA-N 0 0 324.333 3.152 50 5 DGBARN C[C@@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007521954 431352816 /nfs/dbraw/zinc/35/28/16/431352816.db2.gz HLRDVYDILJGWFR-GHMZBOCLSA-N 0 0 308.407 3.059 50 5 DGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC000008848759 431415700 /nfs/dbraw/zinc/41/57/00/431415700.db2.gz HPQUFKADMBONQG-SECBINFHSA-N 0 0 317.736 3.464 50 5 DGBARN O=C(Nc1ccccc1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000009118036 431423577 /nfs/dbraw/zinc/42/35/77/431423577.db2.gz ATEBDVPERZJHOU-UHFFFAOYSA-N 0 0 313.313 3.127 50 5 DGBARN CC(=O)[C@@H](C)Oc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000008510827 431398513 /nfs/dbraw/zinc/39/85/13/431398513.db2.gz REGVOEBDZBNXHW-LLVKDONJSA-N 0 0 312.321 3.317 50 5 biogenic DGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)c1ccccn1 ZINC000008586566 431402454 /nfs/dbraw/zinc/40/24/54/431402454.db2.gz ICYXDVOXAQPLTG-UHFFFAOYSA-N 0 0 323.308 3.430 50 5 DGBARN Cc1noc(-c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)n1 ZINC000008587079 431403105 /nfs/dbraw/zinc/40/31/05/431403105.db2.gz GLCLEHFNTRTLEM-JTQLQIEISA-N 0 0 302.334 3.332 50 5 aggregator DGBARN O=C(NCc1ccccn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000008725751 431409096 /nfs/dbraw/zinc/40/90/96/431409096.db2.gz SQOINKJLYXSRRU-UHFFFAOYSA-N 0 0 313.338 3.135 50 5 DGBARN O=C(NCC1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000011177866 431472161 /nfs/dbraw/zinc/47/21/61/431472161.db2.gz UCMFDEGISWGPOP-UHFFFAOYSA-N 0 0 310.353 3.447 50 5 DGBARN CCS[C@H]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076067706 431521702 /nfs/dbraw/zinc/52/17/02/431521702.db2.gz AVCLUWLDMIAXOT-HIFRSBDPSA-N 0 0 322.430 3.270 50 5 DGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccccc2)c1 ZINC000012860065 431531340 /nfs/dbraw/zinc/53/13/40/431531340.db2.gz OEEFSUIUDZZCNF-UHFFFAOYSA-N 0 0 323.308 3.138 50 5 DGBARN CC(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012527868 431512841 /nfs/dbraw/zinc/51/28/41/431512841.db2.gz VDHIZXQXBROENS-UHFFFAOYSA-N 0 0 322.408 3.317 50 5 DGBARN CCN(CC)C(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000012522065 431513121 /nfs/dbraw/zinc/51/31/21/431513121.db2.gz UWMKNGZFZRNTCN-UHFFFAOYSA-N 0 0 314.345 3.215 50 5 DGBARN Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000012553353 431515251 /nfs/dbraw/zinc/51/52/51/431515251.db2.gz OYNQTIAZVWOIMQ-UHFFFAOYSA-N 0 0 300.314 3.301 50 5 DGBARN O=c1[nH]c(-c2ccccc2O)cc2c3ccccc3oc(=O)c12 ZINC000000526788 280385187 /nfs/dbraw/zinc/38/51/87/280385187.db2.gz RWDROGNNLUBSTQ-UHFFFAOYSA-N 0 0 305.289 3.007 50 5 biogenic DGBARN O=c1cc(CSc2nc[nH]n2)c2c(ccc3ccccc32)o1 ZINC000009337793 280393816 /nfs/dbraw/zinc/39/38/16/280393816.db2.gz SPJBFHXYNMGBGY-UHFFFAOYSA-N 0 0 309.350 3.357 50 5 DGBARN COc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000025560659 431660301 /nfs/dbraw/zinc/66/03/01/431660301.db2.gz DUGNCAZUYRDACT-UHFFFAOYSA-N 0 0 319.342 3.190 50 5 DGBARN COC(=O)c1ccoc1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024864759 431643516 /nfs/dbraw/zinc/64/35/16/431643516.db2.gz VQAGUOHVROICOO-NSHDSACASA-N 0 0 318.329 3.167 50 5 DGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000078569551 431683658 /nfs/dbraw/zinc/68/36/58/431683658.db2.gz LEVZXVHFQVPXEH-GFCCVEGCSA-N 0 0 309.329 3.349 50 5 DGBARN Nc1ncnc(SCc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000028405825 431705883 /nfs/dbraw/zinc/70/58/83/431705883.db2.gz KFBQHWVYDZKZLY-UHFFFAOYSA-N 0 0 312.354 3.413 50 5 DGBARN COCCc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000078774102 431707649 /nfs/dbraw/zinc/70/76/49/431707649.db2.gz UJPLJCAUKBQRNJ-VIFPVBQESA-N 0 0 309.347 3.020 50 5 DGBARN CC(=O)c1ccc(N2CCC[C@@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000029527087 431724437 /nfs/dbraw/zinc/72/44/37/431724437.db2.gz LXJOSIUBBWVEDX-CQSZACIVSA-N 0 0 315.329 3.435 50 5 DGBARN COc1cccc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000031553668 431761403 /nfs/dbraw/zinc/76/14/03/431761403.db2.gz BMFFDPLSEQTHIF-UHFFFAOYSA-N 0 0 316.313 3.011 50 5 DGBARN O=[N+]([O-])c1c(NCCc2c[nH]c3ccccc23)nc2ccccn21 ZINC000029162611 431716038 /nfs/dbraw/zinc/71/60/38/431716038.db2.gz BQYBODKFXGWGDE-UHFFFAOYSA-N 0 0 321.340 3.378 50 5 DGBARN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032779308 431791475 /nfs/dbraw/zinc/79/14/75/431791475.db2.gz QVVGWNHYUACIDM-GFCCVEGCSA-N 0 0 306.753 3.323 50 5 DGBARN O=C(Nc1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000032905911 431799915 /nfs/dbraw/zinc/79/99/15/431799915.db2.gz HMSNKMOJSLHEET-UHFFFAOYSA-N 0 0 308.297 3.033 50 5 DGBARN O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000033040303 431806078 /nfs/dbraw/zinc/80/60/78/431806078.db2.gz FWXDVLRVZDVCNX-UHFFFAOYSA-N 0 0 315.285 3.010 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C)o1 ZINC000033286416 431811870 /nfs/dbraw/zinc/81/18/70/431811870.db2.gz HAYCODFHXNYISB-VURMDHGXSA-N 0 0 302.286 3.157 50 5 DGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccn1 ZINC000048349276 431924915 /nfs/dbraw/zinc/92/49/15/431924915.db2.gz PBCLQLYSEPOQSH-LLVKDONJSA-N 0 0 300.318 3.215 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000089780845 431878886 /nfs/dbraw/zinc/87/88/86/431878886.db2.gz RUXKWQJKYFQJDL-CQSZACIVSA-N 0 0 315.333 3.077 50 5 DGBARN C[C@@H](Sc1ncnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000089905365 431884946 /nfs/dbraw/zinc/88/49/46/431884946.db2.gz LKUSMOKCJBTHEW-SECBINFHSA-N 0 0 315.358 3.125 50 5 DGBARN C[S@](=O)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124328666 431891226 /nfs/dbraw/zinc/89/12/26/431891226.db2.gz ALXHRWVJNCSPHK-GOSISDBHSA-N 0 0 311.190 3.082 50 5 DGBARN CCOC(=O)[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000055292332 431979062 /nfs/dbraw/zinc/97/90/62/431979062.db2.gz FRFAJJXCQRURMU-DYLHUKMJSA-N 0 0 318.373 3.026 50 5 DGBARN Cc1nc(N[C@H](C)[C@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000095966048 431928849 /nfs/dbraw/zinc/92/88/49/431928849.db2.gz JHZFXFZQMKMUMK-PSLIRLAXSA-N 0 0 323.299 3.110 50 5 DGBARN O=[N+]([O-])c1ncn(CC/C=C/c2ccc(Br)cc2)n1 ZINC000096409151 431946098 /nfs/dbraw/zinc/94/60/98/431946098.db2.gz GYOPPOYMQSUNGP-HNQUOIGGSA-N 0 0 323.150 3.052 50 5 DGBARN CCS(=O)(=O)c1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000096427548 431947775 /nfs/dbraw/zinc/94/77/75/431947775.db2.gz QMNRORNZBUXRRT-UHFFFAOYSA-N 0 0 320.370 3.001 50 5 DGBARN CCO[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000096432499 431948316 /nfs/dbraw/zinc/94/83/16/431948316.db2.gz LNNFKSVXSZOPBB-CABCVRRESA-N 0 0 318.373 3.062 50 5 DGBARN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000096432319 431948789 /nfs/dbraw/zinc/94/87/89/431948789.db2.gz YQNRSRJSPFFHEG-RYUDHWBXSA-N 0 0 308.403 3.341 50 5 DGBARN CCO[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000096432496 431948845 /nfs/dbraw/zinc/94/88/45/431948845.db2.gz LNNFKSVXSZOPBB-LSDHHAIUSA-N 0 0 318.373 3.062 50 5 DGBARN CC[C@@H](NC(=O)Cc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000096454689 431951497 /nfs/dbraw/zinc/95/14/97/431951497.db2.gz CWSZIRGJIAIWGG-MRXNPFEDSA-N 0 0 313.357 3.108 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(Oc2nc3ccccn3c2[N+](=O)[O-])c1 ZINC000052718672 431957857 /nfs/dbraw/zinc/95/78/57/431957857.db2.gz ULDWUGDQUPNUPO-UHFFFAOYSA-N 0 0 314.257 3.251 50 5 DGBARN Cc1cc(NC(=O)N(C)Cc2nccs2)ccc1[N+](=O)[O-] ZINC000097049333 431958602 /nfs/dbraw/zinc/95/86/02/431958602.db2.gz AHTHWUWZLYIXEP-UHFFFAOYSA-N 0 0 306.347 3.024 50 5 DGBARN CS[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097370726 431968231 /nfs/dbraw/zinc/96/82/31/431968231.db2.gz QSJCZKCMTCOEAQ-ZETCQYMHSA-N 0 0 303.771 3.121 50 5 DGBARN O=[N+]([O-])c1cccc(-c2noc(CNc3ccccc3F)n2)c1 ZINC000055824852 431986120 /nfs/dbraw/zinc/98/61/20/431986120.db2.gz XXQZMSULDKYPLT-UHFFFAOYSA-N 0 0 314.276 3.396 50 5 DGBARN O=C1CCc2cc([N+](=O)[O-])c(NCC3(C4CC4)CCC3)cc2N1 ZINC000128435171 431994043 /nfs/dbraw/zinc/99/40/43/431994043.db2.gz KUMYOUDDAAXFCU-UHFFFAOYSA-N 0 0 315.373 3.472 50 5 DGBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]1Cn1ccnc1 ZINC000252507294 432381350 /nfs/dbraw/zinc/38/13/50/432381350.db2.gz WGIKAFVDUQLIDO-LBPRGKRZSA-N 0 0 306.753 3.114 50 5 DGBARN COCc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])s2)o1 ZINC000192533871 432385697 /nfs/dbraw/zinc/38/56/97/432385697.db2.gz HWNIYRLBYSHHJL-SNVBAGLBSA-N 0 0 309.347 3.132 50 5 DGBARN Cc1nc2c(s1)[C@@H](N(C)c1ncccc1[N+](=O)[O-])CCC2 ZINC000069740560 282029110 /nfs/dbraw/zinc/02/91/10/282029110.db2.gz KQHPXHLPNXCUDT-NSHDSACASA-N 0 0 304.375 3.269 50 5 DGBARN O=[N+]([O-])c1cccc(-c2nnc(C(Cl)(Cl)Cl)o2)c1 ZINC000221526358 432667781 /nfs/dbraw/zinc/66/77/81/432667781.db2.gz QVQSNFMYUIFUEE-UHFFFAOYSA-N 0 0 308.508 3.472 50 5 DGBARN CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000178101104 432694748 /nfs/dbraw/zinc/69/47/48/432694748.db2.gz XAQXOGRDARJYCV-STQMWFEESA-N 0 0 308.403 3.307 50 5 DGBARN O=[N+]([O-])c1ccc(/C=C\c2nccn2Cc2ccccc2)nc1 ZINC000222089711 432670374 /nfs/dbraw/zinc/67/03/74/432670374.db2.gz PGUCDMCZOMOCNI-CLFYSBASSA-N 0 0 306.325 3.405 50 5 DGBARN O=[N+]([O-])c1cc(Cl)cnc1NCc1noc2ccccc12 ZINC000225386881 432689222 /nfs/dbraw/zinc/68/92/22/432689222.db2.gz KSQGQZBHHBDZCA-UHFFFAOYSA-N 0 0 304.693 3.397 50 5 DGBARN Cc1ocnc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000097142409 294057938 /nfs/dbraw/zinc/05/79/38/294057938.db2.gz ZEVPQWGKOSEFNY-UHFFFAOYSA-N 0 0 312.285 3.000 50 5 DGBARN O=C(NCCc1cccc([N+](=O)[O-])c1)c1sccc1Cl ZINC000390833594 434371773 /nfs/dbraw/zinc/37/17/73/434371773.db2.gz JWNZPFSNMXKYFJ-UHFFFAOYSA-N 0 0 310.762 3.282 50 5 DGBARN COc1cc2c(cc1OC)C(c1ccccc1[N+](=O)[O-])=NCC2 ZINC000001578205 295038344 /nfs/dbraw/zinc/03/83/44/295038344.db2.gz KLENIIUOGVFSIW-UHFFFAOYSA-N 0 0 312.325 3.006 50 5 DGBARN COc1ccc(-c2nn(-c3ccccc3)cc2C=O)c([N+](=O)[O-])c1 ZINC000526052182 435008926 /nfs/dbraw/zinc/00/89/26/435008926.db2.gz BOEORSGHZPQGSL-UHFFFAOYSA-N 0 0 323.308 3.269 50 5 DGBARN Cc1c(NC(=O)N2CC[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000585120146 435292800 /nfs/dbraw/zinc/29/28/00/435292800.db2.gz VEJUZRLVIJOBOD-JTQLQIEISA-N 0 0 303.240 3.072 50 5 DGBARN Cc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1[N+](=O)[O-] ZINC000006524696 301957785 /nfs/dbraw/zinc/95/77/85/301957785.db2.gz OFGFGBVIGLHBFZ-UHFFFAOYSA-N 0 0 303.343 3.101 50 5 DGBARN COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000003513145 331480957 /nfs/dbraw/zinc/48/09/57/331480957.db2.gz JLJSTFBMWOXVGY-UHFFFAOYSA-N 0 0 319.288 3.408 50 5 DGBARN CC(C)c1nnc(CNc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000096499888 500633664 /nfs/dbraw/zinc/63/36/64/500633664.db2.gz WFRRRYBKPXTRKL-UHFFFAOYSA-N 0 0 309.757 3.112 50 5 DGBARN Cc1nn(C)c(C=CNc2cc(Cl)ccc2O)c1[N+](=O)[O-] ZINC000100271634 501008353 /nfs/dbraw/zinc/00/83/53/501008353.db2.gz OJHWFPBWVQNXIA-AATRIKPKSA-N 0 0 308.725 3.079 50 5 DGBARN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1OCCc2sccc21 ZINC000078478969 545748252 /nfs/dbraw/zinc/74/82/52/545748252.db2.gz HADZPKARDSJJHE-LBPRGKRZSA-N 0 0 305.359 3.086 50 5 DGBARN Cn1c2cc3ccccc3cc2nc(-c2ccccc2N)c1=O ZINC000000175746 658268615 /nfs/dbraw/zinc/26/86/15/658268615.db2.gz QUXNTVWUBAEHFV-UHFFFAOYSA-N 0 0 301.349 3.336 50 5 DGBARN O=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000000312821 658384638 /nfs/dbraw/zinc/38/46/38/658384638.db2.gz RNVCOMPELIRXIN-UHFFFAOYSA-N 0 0 305.673 3.280 50 5 DGBARN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000095435164 185364587 /nfs/dbraw/zinc/36/45/87/185364587.db2.gz MTAWJDSDNQPGQA-SNVBAGLBSA-N 0 0 318.354 3.048 50 5 DGBARN Cc1sc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000067107276 432026867 /nfs/dbraw/zinc/02/68/67/432026867.db2.gz QFNOBAVTHXAAJF-VXGBXAGGSA-N 0 0 320.345 3.390 50 5 DGBARN C[C@H]1CN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H](C)O1 ZINC000000309444 180754791 /nfs/dbraw/zinc/75/47/91/180754791.db2.gz KETMWERWSYGZQO-QWRGUYRKSA-N 0 0 319.386 3.332 50 5 DGBARN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000435765 180790720 /nfs/dbraw/zinc/79/07/20/180790720.db2.gz HRXLXAURNOOXQE-UHFFFAOYSA-N 0 0 304.733 3.487 50 5 DGBARN COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=NCC2 ZINC000000439644 180791414 /nfs/dbraw/zinc/79/14/14/180791414.db2.gz BPVLSVNRCFDQEG-UHFFFAOYSA-N 0 0 312.325 3.006 50 5 DGBARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002023066 180906337 /nfs/dbraw/zinc/90/63/37/180906337.db2.gz XNVYXCYPADVFSW-UHFFFAOYSA-N 0 0 320.370 3.037 50 5 DGBARN Cc1ccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000002342679 180920597 /nfs/dbraw/zinc/92/05/97/180920597.db2.gz VQDWYEGATWHASZ-UHFFFAOYSA-N 0 0 323.352 3.357 50 5 DGBARN O=C(C[C@@H](SCCO)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000002637957 180942195 /nfs/dbraw/zinc/94/21/95/180942195.db2.gz OFMNVGMMQFXGPK-OAHLLOKOSA-N 0 0 321.354 3.227 50 5 DGBARN Cc1noc(C)c1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000002659019 180945532 /nfs/dbraw/zinc/94/55/32/180945532.db2.gz XATNJIYNYFAUAD-UHFFFAOYSA-N 0 0 310.693 3.210 50 5 DGBARN O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000003150878 180986205 /nfs/dbraw/zinc/98/62/05/180986205.db2.gz JDLCFBRHUOWHRN-KPKJPENVSA-N 0 0 316.294 3.179 50 5 DGBARN O=C(COc1ccccc1Cl)OCc1ccc([N+](=O)[O-])cc1 ZINC000003316770 181004279 /nfs/dbraw/zinc/00/42/79/181004279.db2.gz BFFFTOQIRKKMNU-UHFFFAOYSA-N 0 0 321.716 3.370 50 5 DGBARN Cc1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000003292493 181001068 /nfs/dbraw/zinc/00/10/68/181001068.db2.gz YCDYRHDCVUAHDE-UHFFFAOYSA-N 0 0 303.293 3.093 50 5 DGBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(C)c(C)c1 ZINC000003896249 181053626 /nfs/dbraw/zinc/05/36/26/181053626.db2.gz ATMUIMLDMRISPY-UHFFFAOYSA-N 0 0 316.361 3.135 50 5 DGBARN CCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000004109743 181074593 /nfs/dbraw/zinc/07/45/93/181074593.db2.gz UINVRURAUUPYSF-UHFFFAOYSA-N 0 0 321.720 3.294 50 5 aggregator DGBARN Cc1cc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000004138063 181078185 /nfs/dbraw/zinc/07/81/85/181078185.db2.gz VATJQZFILHMIIW-UHFFFAOYSA-N 0 0 309.325 3.315 50 5 DGBARN COc1ccc(NC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 ZINC000004496668 181114931 /nfs/dbraw/zinc/11/49/31/181114931.db2.gz VEEWEIYWTALEGI-UHFFFAOYSA-N 0 0 318.354 3.334 50 5 DGBARN CCCCOc1ccc(CSc2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000004725057 181143424 /nfs/dbraw/zinc/14/34/24/181143424.db2.gz XWBYSABLLPOCID-UHFFFAOYSA-N 0 0 322.390 3.493 50 5 DGBARN Cc1cccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004817013 181155869 /nfs/dbraw/zinc/15/58/69/181155869.db2.gz CVWJFVOHTMHDHN-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN COc1ccc(NC(=O)c2cccc(C)c2OC)c([N+](=O)[O-])c1 ZINC000004841301 181161168 /nfs/dbraw/zinc/16/11/68/181161168.db2.gz PXCZCWJPVOWLBX-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1OC ZINC000073640112 191335066 /nfs/dbraw/zinc/33/50/66/191335066.db2.gz ZHKPEUFSTUDRQM-UHFFFAOYSA-N 0 0 300.270 3.420 50 5 DGBARN CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1 ZINC000005025412 181192347 /nfs/dbraw/zinc/19/23/47/181192347.db2.gz FJNCVXDXOHNGKD-MRVPVSSYSA-N 0 0 320.328 3.060 50 5 DGBARN CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1 ZINC000005091294 181202280 /nfs/dbraw/zinc/20/22/80/181202280.db2.gz ASWCLHBERNHUCB-SNVBAGLBSA-N 0 0 316.365 3.229 50 5 DGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 ZINC000005107761 181204415 /nfs/dbraw/zinc/20/44/15/181204415.db2.gz AHPCZVLRFVKXGG-JTQLQIEISA-N 0 0 304.277 3.140 50 5 DGBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000005216482 181218521 /nfs/dbraw/zinc/21/85/21/181218521.db2.gz NFLZLOMMIHKQNY-VIFPVBQESA-N 0 0 321.720 3.049 50 5 DGBARN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000005249538 181221914 /nfs/dbraw/zinc/22/19/14/181221914.db2.gz OWBJECUCTDPYSK-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCc1ccccc1 ZINC000005443618 181244411 /nfs/dbraw/zinc/24/44/11/181244411.db2.gz FHXVRUCKNYZXQJ-VAWYXSNFSA-N 0 0 310.353 3.357 50 5 DGBARN CSc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000005824438 181287221 /nfs/dbraw/zinc/28/72/21/181287221.db2.gz DKIUSQQQKZQADW-UHFFFAOYSA-N 0 0 320.370 3.490 50 5 DGBARN CC(C)c1ccc(C(=O)N(C)Cc2nccs2)cc1[N+](=O)[O-] ZINC000187812518 200160520 /nfs/dbraw/zinc/16/05/20/200160520.db2.gz HIXYLALDIUSUOU-UHFFFAOYSA-N 0 0 319.386 3.447 50 5 DGBARN O=C(COc1cccnc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000005970794 181301960 /nfs/dbraw/zinc/30/19/60/181301960.db2.gz KUUCONHTBGYWEF-UHFFFAOYSA-N 0 0 316.357 3.154 50 5 DGBARN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000005971293 181302090 /nfs/dbraw/zinc/30/20/90/181302090.db2.gz FVGGPPMYFOIOMT-VIFPVBQESA-N 0 0 321.720 3.049 50 5 DGBARN O=c1oc2cc(Oc3ncccc3[N+](=O)[O-])ccc2c2c1CCC2 ZINC000006604737 181360133 /nfs/dbraw/zinc/36/01/33/181360133.db2.gz IGCWCSNDDYSHSC-UHFFFAOYSA-N 0 0 324.292 3.377 50 5 DGBARN COc1ccc2[nH]c(Sc3ccc([N+](=O)[O-])cn3)nc2c1 ZINC000091302229 193036044 /nfs/dbraw/zinc/03/60/44/193036044.db2.gz LGUNZSHDEHFQMM-UHFFFAOYSA-N 0 0 302.315 3.026 50 5 DGBARN CC[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2c2ccccc21 ZINC000019877685 182159774 /nfs/dbraw/zinc/15/97/74/182159774.db2.gz MCPPSAYOIQJUQS-NSHDSACASA-N 0 0 311.341 3.479 50 5 DGBARN O=C(Nc1ccc2c(c1)CCO2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031343422 182611284 /nfs/dbraw/zinc/61/12/84/182611284.db2.gz KTUYCNYDMVTSPO-UHFFFAOYSA-N 0 0 318.716 3.435 50 5 DGBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2ccccc2n1 ZINC000040509264 183086298 /nfs/dbraw/zinc/08/62/98/183086298.db2.gz FKSTYFLHBGRBTJ-UHFFFAOYSA-N 0 0 321.336 3.415 50 5 DGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2ccccc2n1 ZINC000040511079 183086542 /nfs/dbraw/zinc/08/65/42/183086542.db2.gz IRCMYGZOBJVBKV-UHFFFAOYSA-N 0 0 321.336 3.415 50 5 DGBARN O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(F)cc3)n2)c1 ZINC000055824439 183997924 /nfs/dbraw/zinc/99/79/24/183997924.db2.gz BIPSFNYUKKKVIR-UHFFFAOYSA-N 0 0 314.276 3.396 50 5 DGBARN Cc1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1[N+](=O)[O-] ZINC000058225390 184090576 /nfs/dbraw/zinc/09/05/76/184090576.db2.gz RIWLEVOZHYBIKI-UHFFFAOYSA-N 0 0 314.345 3.243 50 5 DGBARN O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000058136660 184080148 /nfs/dbraw/zinc/08/01/48/184080148.db2.gz CPDCFPRFXVLYFK-UHFFFAOYSA-N 0 0 314.326 3.299 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3ccoc3)n2)c1 ZINC000069538980 184524784 /nfs/dbraw/zinc/52/47/84/184524784.db2.gz KYOODTMOBHBFFL-UHFFFAOYSA-N 0 0 301.258 3.125 50 5 DGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000002040029 285105633 /nfs/dbraw/zinc/10/56/33/285105633.db2.gz NXVIYWNQRSLRGX-UHFFFAOYSA-N 0 0 312.241 3.220 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1Br ZINC000169725341 285121207 /nfs/dbraw/zinc/12/12/07/285121207.db2.gz HLDMRQFFRUTUTM-UHFFFAOYSA-N 0 0 307.094 3.203 50 5 DGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000002048932 285152672 /nfs/dbraw/zinc/15/26/72/285152672.db2.gz MBOTVYMOQXKMAR-UHFFFAOYSA-N 0 0 312.241 3.220 50 5 DGBARN O=C(C=Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1 ZINC000003228457 257267123 /nfs/dbraw/zinc/26/71/23/257267123.db2.gz NRWDBDQKLBCTMY-ZHACJKMWSA-N 0 0 311.293 3.034 50 5 DGBARN C[C@H](Oc1ccc(N(C)C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000075104962 257271138 /nfs/dbraw/zinc/27/11/38/257271138.db2.gz UFVNROYGDXCEML-NSHDSACASA-N 0 0 315.329 3.250 50 5 DGBARN CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000048290887 134750879 /nfs/dbraw/zinc/75/08/79/134750879.db2.gz CLIWEMBNZOXISC-UHFFFAOYSA-N 0 0 323.368 3.009 50 5 DGBARN O=[N+]([O-])c1ccccc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029528029 296515317 /nfs/dbraw/zinc/51/53/17/296515317.db2.gz QJMAKKBSHMLDGD-MRXNPFEDSA-N 0 0 302.305 3.312 50 5 DGBARN CC[C@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000072304160 400380325 /nfs/dbraw/zinc/38/03/25/400380325.db2.gz FTXBPMZRSFJLFB-VXGBXAGGSA-N 0 0 303.362 3.352 50 5 DGBARN COc1ccc2c(c1)C1=NN[C@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 ZINC000034132669 400385175 /nfs/dbraw/zinc/38/51/75/400385175.db2.gz GDIHKJVAINMPKA-NVXWUHKLSA-N 0 0 323.352 3.214 50 5 DGBARN COc1cc(NC[C@@H](O)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000078903771 400832730 /nfs/dbraw/zinc/83/27/30/400832730.db2.gz LGCPBLQXNPLIBI-CQSZACIVSA-N 0 0 324.283 3.027 50 5 DGBARN CCc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000253431810 401098671 /nfs/dbraw/zinc/09/86/71/401098671.db2.gz XOYZWGUIHTYNOY-UHFFFAOYSA-N 0 0 309.713 3.178 50 5 DGBARN C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]12 ZINC000221880471 287428159 /nfs/dbraw/zinc/42/81/59/287428159.db2.gz ACHGEMTVKBYDCJ-JMSVASOKSA-N 0 0 303.362 3.031 50 5 DGBARN O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1Cl ZINC000003882690 275032961 /nfs/dbraw/zinc/03/29/61/275032961.db2.gz KNTBNAOLWQTVFT-UHFFFAOYSA-N 0 0 302.677 3.360 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 ZINC000012525061 275036276 /nfs/dbraw/zinc/03/62/76/275036276.db2.gz VCISVSCQIFADAU-LBPRGKRZSA-N 0 0 323.356 3.250 50 5 DGBARN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C)O1 ZINC000012418090 278810101 /nfs/dbraw/zinc/81/01/01/278810101.db2.gz YZLWKUAQULHULQ-PHIMTYICSA-N 0 0 319.386 3.332 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000028971 431111886 /nfs/dbraw/zinc/11/18/86/431111886.db2.gz JXTQDOIQMIBEEA-UHFFFAOYSA-N 0 0 321.336 3.275 50 5 biogenic DGBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000068989 431118776 /nfs/dbraw/zinc/11/87/76/431118776.db2.gz CITCJWUSRZYWMK-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN COc1ccc([C@H](C[N+](=O)[O-])Sc2cccc(N)c2)cc1 ZINC000000070203 431120258 /nfs/dbraw/zinc/12/02/58/431120258.db2.gz IBOUAYOSSPUQQC-HNNXBMFYSA-N 0 0 304.371 3.388 50 5 DGBARN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000101958 431126655 /nfs/dbraw/zinc/12/66/55/431126655.db2.gz ZBKVFYFFKOYASW-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122541 431128681 /nfs/dbraw/zinc/12/86/81/431128681.db2.gz YXGFMZDPQSGLHY-NVXWUHKLSA-N 0 0 312.325 3.075 50 5 DGBARN Cc1nn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Cl ZINC000000138223 431130293 /nfs/dbraw/zinc/13/02/93/431130293.db2.gz WLTFOPHHGYGZPN-UHFFFAOYSA-N 0 0 314.128 3.403 50 5 DGBARN CCc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000145584 431133294 /nfs/dbraw/zinc/13/32/94/431133294.db2.gz RCGHUMIQMXOLCP-UHFFFAOYSA-N 0 0 314.341 3.483 50 5 DGBARN Cc1sc2ncn(Cc3cccc([N+](=O)[O-])c3)c(=O)c2c1C ZINC000000175949 431138916 /nfs/dbraw/zinc/13/89/16/431138916.db2.gz LGMGAQVBQHVCOT-UHFFFAOYSA-N 0 0 315.354 3.031 50 5 DGBARN Cc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000176785 431140042 /nfs/dbraw/zinc/14/00/42/431140042.db2.gz YTNVCQNEGUOURK-GDNBJRDFSA-N 0 0 308.293 3.248 50 5 DGBARN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000176832 431140187 /nfs/dbraw/zinc/14/01/87/431140187.db2.gz WKWMINFMXLJMAL-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN CC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000183294 431142036 /nfs/dbraw/zinc/14/20/36/431142036.db2.gz KTGCEIOCSUOLEF-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN C[C@@H]1CN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H](C)O1 ZINC000000309442 431162648 /nfs/dbraw/zinc/16/26/48/431162648.db2.gz KETMWERWSYGZQO-GHMZBOCLSA-N 0 0 319.386 3.332 50 5 DGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(F)c1 ZINC000000332091 431168155 /nfs/dbraw/zinc/16/81/55/431168155.db2.gz BGWWKMRUDDTLQQ-ZROIWOOFSA-N 0 0 312.256 3.078 50 5 DGBARN CC(=O)Oc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000000454884 431185820 /nfs/dbraw/zinc/18/58/20/431185820.db2.gz JRLFSIIDSNYZKQ-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN CC(=O)c1ccc(Sc2nnc(C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000069418947 431186036 /nfs/dbraw/zinc/18/60/36/431186036.db2.gz JZBSKWFDTMXMAB-UHFFFAOYSA-N 0 0 320.374 3.201 50 5 DGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 ZINC000000461353 431189170 /nfs/dbraw/zinc/18/91/70/431189170.db2.gz JUEXLLUBKIJIQI-BJMVGYQFSA-N 0 0 300.289 3.064 50 5 DGBARN O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1 ZINC000000211401 431147146 /nfs/dbraw/zinc/14/71/46/431147146.db2.gz DJAUONLYBMQNIQ-UHFFFAOYSA-N 0 0 303.317 3.156 50 5 DGBARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000259789 431157153 /nfs/dbraw/zinc/15/71/53/431157153.db2.gz JZYMFMJJBMGPQE-UHFFFAOYSA-N 0 0 323.308 3.426 50 5 DGBARN COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000585158 431204473 /nfs/dbraw/zinc/20/44/73/431204473.db2.gz OMVYQIUETZMQOB-UHFFFAOYSA-N 0 0 300.314 3.093 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1C ZINC000000588439 431204831 /nfs/dbraw/zinc/20/48/31/431204831.db2.gz AXCSXBBRYAXFJT-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN O=C(NCc1ccco1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000001123085 431215617 /nfs/dbraw/zinc/21/56/17/431215617.db2.gz ZYWHNWWXUDJPMD-UHFFFAOYSA-N 0 0 314.341 3.316 50 5 DGBARN COc1cnc(-c2ccccn2)nc1Oc1cccc([N+](=O)[O-])c1 ZINC000001386020 431223925 /nfs/dbraw/zinc/22/39/25/431223925.db2.gz QWZGOKWZFLPEJV-UHFFFAOYSA-N 0 0 324.296 3.248 50 5 DGBARN CCCCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-] ZINC000002330534 431249781 /nfs/dbraw/zinc/24/97/81/431249781.db2.gz KNMRCSWYUDPEFM-UHFFFAOYSA-N 0 0 319.386 3.491 50 5 DGBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000003121898 431284205 /nfs/dbraw/zinc/28/42/05/431284205.db2.gz KCDCLERXGUABSG-UHFFFAOYSA-N 0 0 318.716 3.460 50 5 DGBARN COC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000004246578 431295831 /nfs/dbraw/zinc/29/58/31/431295831.db2.gz GXPHZONHZUWQKS-UHFFFAOYSA-N 0 0 323.377 3.301 50 5 DGBARN Cc1c(Br)cc(N)c([N+](=O)[O-])c1Br ZINC000004086992 431297686 /nfs/dbraw/zinc/29/76/86/431297686.db2.gz JJWQRWQMQJOBLA-UHFFFAOYSA-N 0 0 309.945 3.010 50 5 DGBARN CC[C@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000004660664 431299505 /nfs/dbraw/zinc/29/95/05/431299505.db2.gz HEKVAYSRHNABII-STQMWFEESA-N 0 0 319.405 3.359 50 5 DGBARN COc1cc2c(cc1OC)[C@H](c1ccccc1[N+](=O)[O-])OCC2 ZINC000006668134 431317231 /nfs/dbraw/zinc/31/72/31/431317231.db2.gz CBQUSUJZWFYJKN-KRWDZBQOSA-N 0 0 315.325 3.274 50 5 biogenic,in-vitro DGBARN COc1ccc(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000005538986 431312835 /nfs/dbraw/zinc/31/28/35/431312835.db2.gz OHQWNEZPGHCEAK-UHFFFAOYSA-N 0 0 300.314 3.093 50 5 DGBARN Cc1ccccc1[C@H](C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000071916459 431315697 /nfs/dbraw/zinc/31/56/97/431315697.db2.gz BYZBZLXGYGGKAC-JTQLQIEISA-N 0 0 319.748 3.443 50 5 DGBARN CC(C)(C)Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000002777375 431267311 /nfs/dbraw/zinc/26/73/11/431267311.db2.gz OYOMZACWZSIFDL-UHFFFAOYSA-N 0 0 320.374 3.287 50 5 DGBARN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002761730 431267512 /nfs/dbraw/zinc/26/75/12/431267512.db2.gz IGTXOCJARBJISV-MRXNPFEDSA-N 0 0 314.341 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O=[N+]([O-])c1cc(CN2CCO[C@H]3CCCC[C@H]32)ccc1Cl ZINC000230119964 432724854 /nfs/dbraw/zinc/72/48/54/432724854.db2.gz WKSWVRWYGZFDGW-HIFRSBDPSA-N 0 0 310.781 3.392 50 5 DGBARN O=[N+]([O-])c1cc(F)c(N2CCCC[C@@H]2c2cc[nH]n2)c(F)c1 ZINC000240569327 432816255 /nfs/dbraw/zinc/81/62/55/432816255.db2.gz GZPJKFRJQVHISM-CYBMUJFWSA-N 0 0 308.288 3.328 50 5 DGBARN Cc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)sc1C ZINC000161925971 293313905 /nfs/dbraw/zinc/31/39/05/293313905.db2.gz ZQTYJNCBXJBRMM-UHFFFAOYSA-N 0 0 305.359 3.158 50 5 DGBARN O=[N+]([O-])c1cnc(NCc2ccc(-c3ccncc3)cc2)s1 ZINC000328588503 434286268 /nfs/dbraw/zinc/28/62/68/434286268.db2.gz RLNJKIHXWQRQLA-UHFFFAOYSA-N 0 0 312.354 3.725 50 5 DGBARN O=c1ccn(CCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000178237863 312787567 /nfs/dbraw/zinc/78/75/67/312787567.db2.gz PXDCHGKDSUAMNM-UHFFFAOYSA-N 0 0 324.336 3.379 50 5 DGBARN CCn1ccnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083091802 545776905 /nfs/dbraw/zinc/77/69/05/545776905.db2.gz WRNQIWGSVPOWAI-UHFFFAOYSA-N 0 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O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc(F)c1 ZINC000002071459 180909365 /nfs/dbraw/zinc/90/93/65/180909365.db2.gz BGWWKMRUDDTLQQ-NTEUORMPSA-N 0 0 312.256 3.078 50 5 DGBARN Cc1ccc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000002643089 180942905 /nfs/dbraw/zinc/94/29/05/180942905.db2.gz UQOSEGFWAWJDBS-LLVKDONJSA-N 0 0 318.304 3.448 50 5 DGBARN COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003430990 181018979 /nfs/dbraw/zinc/01/89/79/181018979.db2.gz IXOAGVZEBPPPOT-NSHDSACASA-N 0 0 300.314 3.094 50 5 DGBARN Cc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000003832512 181048070 /nfs/dbraw/zinc/04/80/70/181048070.db2.gz VAODENZUKGGONH-UHFFFAOYSA-N 0 0 320.370 3.321 50 5 DGBARN O=[N+]([O-])c1ccc(NCn2nnc3ccccc32)cc1Cl ZINC000004015185 181061929 /nfs/dbraw/zinc/06/19/29/181061929.db2.gz LDXLXDHIYWSJNV-UHFFFAOYSA-N 0 0 303.709 3.063 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000004101116 181073689 /nfs/dbraw/zinc/07/36/89/181073689.db2.gz 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ZINC000004980813 431305247 /nfs/dbraw/zinc/30/52/47/431305247.db2.gz ZNPYASUNUPFMLC-UHFFFAOYSA-N 0 0 303.406 3.297 50 5 DGBARN COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1[O-] ZINC000004988767 431305328 /nfs/dbraw/zinc/30/53/28/431305328.db2.gz JSPMAJLMBMBAHE-KBPBESRZSA-N 0 0 320.389 3.464 50 5 DGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCc1ccccc1 ZINC000002774237 431266150 /nfs/dbraw/zinc/26/61/50/431266150.db2.gz DCRICRMVIUOEDJ-UHFFFAOYSA-N 0 0 312.369 3.276 50 5 DGBARN C[C@H](CNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000002853647 431271368 /nfs/dbraw/zinc/27/13/68/431271368.db2.gz MHCHJJQSLQHFGZ-LLVKDONJSA-N 0 0 302.305 3.267 50 5 DGBARN CCCCc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000002879065 431275030 /nfs/dbraw/zinc/27/50/30/431275030.db2.gz WUNDRZNUDVGIFD-UHFFFAOYSA-N 0 0 306.347 3.041 50 5 DGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(F)cc1 ZINC000002891516 431275455 /nfs/dbraw/zinc/27/54/55/431275455.db2.gz DDIQNAKAVZNLPT-ZROIWOOFSA-N 0 0 312.256 3.078 50 5 DGBARN C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000006623538 431319322 /nfs/dbraw/zinc/31/93/22/431319322.db2.gz MUWKSPZOWMVZIX-LBPRGKRZSA-N 0 0 319.405 3.359 50 5 DGBARN Cc1cc(C)cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000009085128 431421119 /nfs/dbraw/zinc/42/11/19/431421119.db2.gz SXOWSEXMOODFQX-UHFFFAOYSA-N 0 0 310.309 3.008 50 5 DGBARN COc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1O ZINC000007981467 431374310 /nfs/dbraw/zinc/37/43/10/431374310.db2.gz NUFFREZLPYLLJR-UHFFFAOYSA-N 0 0 302.286 3.255 50 5 DGBARN Cc1noc(-c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)n1 ZINC000008587080 431401665 /nfs/dbraw/zinc/40/16/65/431401665.db2.gz GLCLEHFNTRTLEM-SNVBAGLBSA-N 0 0 302.334 3.332 50 5 aggregator DGBARN COCc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1-c1ccccc1 ZINC000008569817 431403817 /nfs/dbraw/zinc/40/38/17/431403817.db2.gz DOHLUZBCHIAUJE-UHFFFAOYSA-N 0 0 324.340 3.176 50 5 DGBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1cc2ccccc2o1 ZINC000009726818 431443282 /nfs/dbraw/zinc/44/32/82/431443282.db2.gz GAQDYLLNLPMUEM-SNVBAGLBSA-N 0 0 313.313 3.171 50 5 DGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)c(F)c1 ZINC000009908635 431446476 /nfs/dbraw/zinc/44/64/76/431446476.db2.gz ZBPCHSYCVGAKIS-UHFFFAOYSA-N 0 0 304.277 3.303 50 5 DGBARN CCCCN1C(=O)C(C)=C(C)[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000009434919 431432728 /nfs/dbraw/zinc/43/27/28/431432728.db2.gz WKLXGOHCOOVDOE-OAHLLOKOSA-N 0 0 303.362 3.312 50 5 DGBARN COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012505801 431509743 /nfs/dbraw/zinc/50/97/43/431509743.db2.gz YHDJIHYJPQZDFP-UHFFFAOYSA-N 0 0 319.700 3.266 50 5 DGBARN CC(=O)Nc1cc(N2C[C@H](C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000013463891 431557920 /nfs/dbraw/zinc/55/79/20/431557920.db2.gz CJPKUGYRFGVURA-AOOOYVTPSA-N 0 0 309.341 3.175 50 5 DGBARN COCc1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000025334957 431654825 /nfs/dbraw/zinc/65/48/25/431654825.db2.gz IZANGPDQBWJVJU-UHFFFAOYSA-N 0 0 316.313 3.002 50 5 DGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cc(C2CC2)on1 ZINC000025575344 431659101 /nfs/dbraw/zinc/65/91/01/431659101.db2.gz WVSTWAPJPXUBBV-SNVBAGLBSA-N 0 0 315.329 3.293 50 5 DGBARN O=[N+]([O-])c1cn(Cc2ncc(-c3cccc(Cl)c3)o2)cn1 ZINC000028190372 431700258 /nfs/dbraw/zinc/70/02/58/431700258.db2.gz RYMBKAQSDWWTDW-UHFFFAOYSA-N 0 0 304.693 3.148 50 5 DGBARN Cc1cc(NC(=O)c2ccco2)nc2c3ccccc3oc(=O)c12 ZINC000000428480 280622513 /nfs/dbraw/zinc/62/25/13/280622513.db2.gz ZWRORPCICSKFHG-UHFFFAOYSA-N 0 0 320.304 3.495 50 5 DGBARN O=c1c2cc(Br)ccc2oc2cc(O)cc(O)c12 ZINC000030819579 431746558 /nfs/dbraw/zinc/74/65/58/431746558.db2.gz UELZRCNDZXKHEF-UHFFFAOYSA-N 0 0 307.099 3.120 50 5 biogenic DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2oc1=O ZINC000003958823 280662829 /nfs/dbraw/zinc/66/28/29/280662829.db2.gz WFISTBAHXWQBCX-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 biogenic,in-vitro DGBARN Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000032738274 431789898 /nfs/dbraw/zinc/78/98/98/431789898.db2.gz SJAHXYCNTFHRPC-LLVKDONJSA-N 0 0 324.340 3.271 50 5 DGBARN CC(C)N(C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000087200640 431851617 /nfs/dbraw/zinc/85/16/17/431851617.db2.gz GCYCTZKFLJVYDF-UHFFFAOYSA-N 0 0 313.357 3.364 50 5 DGBARN CCCCSc1nnc2nc3c(nn21)c1ccccc1n3C ZINC000035655419 431832209 /nfs/dbraw/zinc/83/22/09/431832209.db2.gz BAVMGUNLWPKZDS-UHFFFAOYSA-N 0 0 312.402 3.056 50 5 DGBARN O=C(OCc1cc(Cl)nc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000044676421 431876947 /nfs/dbraw/zinc/87/69/47/431876947.db2.gz SDJBBVRIJIKLDN-UHFFFAOYSA-N 0 0 317.084 3.247 50 5 DGBARN O=C(Cc1cccs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000089780822 431879037 /nfs/dbraw/zinc/87/90/37/431879037.db2.gz FFKXZFVESNPWKB-UHFFFAOYSA-N 0 0 316.382 3.390 50 5 DGBARN CC(=O)Nc1c(Br)c(Cl)c(C)cc1[N+](=O)[O-] ZINC000098087288 431977694 /nfs/dbraw/zinc/97/76/94/431977694.db2.gz HCDMMMHCHBIUEA-UHFFFAOYSA-N 0 0 307.531 3.278 50 5 DGBARN Cc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055291870 431979717 /nfs/dbraw/zinc/97/97/17/431979717.db2.gz PPBMIUYVKOPPTF-UHFFFAOYSA-N 0 0 311.385 3.225 50 5 DGBARN Cc1ccc(CNc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000095974286 431929674 /nfs/dbraw/zinc/92/96/74/431929674.db2.gz WHVCVQGLFDWIKK-UHFFFAOYSA-N 0 0 309.329 3.300 50 5 DGBARN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000096478039 431953243 /nfs/dbraw/zinc/95/32/43/431953243.db2.gz YCZRQMPLJPNMTK-AWEZNQCLSA-N 0 0 304.325 3.184 50 5 DGBARN CC(C)c1nccn1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000097053397 431958692 /nfs/dbraw/zinc/95/86/92/431958692.db2.gz VASHKXYHHUCYLA-UHFFFAOYSA-N 0 0 322.752 3.207 50 5 DGBARN C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080935 431959377 /nfs/dbraw/zinc/95/93/77/431959377.db2.gz DXRRRQHMPZMNBS-NSHDSACASA-N 0 0 300.318 3.215 50 5 DGBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F ZINC000054216505 431968429 /nfs/dbraw/zinc/96/84/29/431968429.db2.gz MIFBJPAYGIRIRF-SECBINFHSA-N 0 0 322.267 3.279 50 5 DGBARN CSc1cccc(F)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000252494386 432379668 /nfs/dbraw/zinc/37/96/68/432379668.db2.gz NUHXBLSHQIBPDB-UHFFFAOYSA-N 0 0 320.345 3.386 50 5 DGBARN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000252510829 432380941 /nfs/dbraw/zinc/38/09/41/432380941.db2.gz CAKLQGSXOLKYSA-BLLLJJGKSA-N 0 0 318.352 3.014 50 5 DGBARN CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000153081228 432382295 /nfs/dbraw/zinc/38/22/95/432382295.db2.gz VEYRTOKOIVOIJI-UHFFFAOYSA-N 0 0 321.358 3.035 50 5 DGBARN C[C@@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000195531229 432627230 /nfs/dbraw/zinc/62/72/30/432627230.db2.gz RHTOUMTZNDHURW-LALPHHSUSA-N 0 0 306.362 3.120 50 5 DGBARN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CCCO)c1 ZINC000225573816 432694582 /nfs/dbraw/zinc/69/45/82/432694582.db2.gz PLHCBKPFHWGWPZ-UHFFFAOYSA-N 0 0 314.341 3.080 50 5 DGBARN Cc1cc(N2CCC(OCC3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000242087982 432816873 /nfs/dbraw/zinc/81/68/73/432816873.db2.gz WATKIICAGMLSOL-UHFFFAOYSA-N 0 0 319.405 3.474 50 5 DGBARN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2N1 ZINC000004622921 290321684 /nfs/dbraw/zinc/32/16/84/290321684.db2.gz JXFUOUHKKGPPQW-LBPRGKRZSA-N 0 0 311.341 3.332 50 5 DGBARN COc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025559956 331602252 /nfs/dbraw/zinc/60/22/52/331602252.db2.gz NRWKSVMSECUCEC-UHFFFAOYSA-N 0 0 302.286 3.352 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 ZINC000172854230 534320025 /nfs/dbraw/zinc/32/00/25/534320025.db2.gz NWZXIHVAAFMFJI-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN Cc1c(Cn2ccc(=O)c3sccc32)cccc1[N+](=O)[O-] ZINC000153533388 525791682 /nfs/dbraw/zinc/79/16/82/525791682.db2.gz RLPFRMCQROEIDR-UHFFFAOYSA-N 0 0 300.339 3.328 50 5 DGBARN CN(C[C@H]1CCCO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000033462 545643067 /nfs/dbraw/zinc/64/30/67/545643067.db2.gz KBXUAMHHJMNMHD-CYBMUJFWSA-N 0 0 319.386 3.334 50 5 DGBARN Cc1ccc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004016556 545645714 /nfs/dbraw/zinc/64/57/14/545645714.db2.gz TWLCGKSCHBKYAX-UHFFFAOYSA-N 0 0 315.245 3.091 50 5 DGBARN CC(=O)c1ccccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000206076019 618749829 /nfs/dbraw/zinc/74/98/29/618749829.db2.gz FZBRKBSNEBCCAV-KHPPLWFESA-N 0 0 310.309 3.449 50 5 DGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCO2 ZINC000098005541 655710338 /nfs/dbraw/zinc/71/03/38/655710338.db2.gz JQWQUIGNOBWZDT-DAXSKMNVSA-N 0 0 310.309 3.182 50 5 DGBARN CC(C)n1cnnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083090338 185212977 /nfs/dbraw/zinc/21/29/77/185212977.db2.gz SRPBLOJIGZPUID-UHFFFAOYSA-N 0 0 319.346 3.201 50 5 DGBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccnc1 ZINC000096926012 185392033 /nfs/dbraw/zinc/39/20/33/185392033.db2.gz NIQMKBFHAIKJRI-YDZSZYSISA-N 0 0 323.352 3.367 50 5 DGBARN Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-c2ncc[nH]2)c1 ZINC000095460521 185370552 /nfs/dbraw/zinc/37/05/52/185370552.db2.gz YMGHXKSOSNFBFC-UHFFFAOYSA-N 0 0 309.329 3.300 50 5 DGBARN CC(C)Cc1nnc(NCc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000170607195 197788109 /nfs/dbraw/zinc/78/81/09/197788109.db2.gz QNRTUMCLLGEILG-UHFFFAOYSA-N 0 0 310.741 3.442 50 5 DGBARN Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000104139919 432014789 /nfs/dbraw/zinc/01/47/89/432014789.db2.gz ZUENYUGGLWYBTO-UHFFFAOYSA-N 0 0 318.245 3.463 50 5 DGBARN O=C(NCc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000072331455 191124792 /nfs/dbraw/zinc/12/47/92/191124792.db2.gz OEPJECXAHGHUQJ-UHFFFAOYSA-N 0 0 308.696 3.317 50 5 DGBARN Cc1noc(/C=C/c2sccc2C2OCCO2)c1[N+](=O)[O-] ZINC000000108580 180695537 /nfs/dbraw/zinc/69/55/37/180695537.db2.gz HTELMMSRYFDRJF-NSCUHMNNSA-N 0 0 308.315 3.169 50 5 DGBARN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000293681 180750181 /nfs/dbraw/zinc/75/01/81/180750181.db2.gz LWTSHXRYWUUXMO-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN COc1cc(Cc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000000282386 180746630 /nfs/dbraw/zinc/74/66/30/180746630.db2.gz 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/nfs/dbraw/zinc/89/27/42/180892742.db2.gz RMJMTMBXNPFJDB-UHFFFAOYSA-N 0 0 317.301 3.256 50 5 DGBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000001738926 180893796 /nfs/dbraw/zinc/89/37/96/180893796.db2.gz KLLCTAKEONEBOK-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002742123 180951113 /nfs/dbraw/zinc/95/11/13/180951113.db2.gz JKJMFBLXPHUQNY-UHFFFAOYSA-N 0 0 315.285 3.318 50 5 DGBARN C[C@@H](CNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000002853646 180963893 /nfs/dbraw/zinc/96/38/93/180963893.db2.gz MHCHJJQSLQHFGZ-NSHDSACASA-N 0 0 302.305 3.267 50 5 DGBARN Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000002883238 180966964 /nfs/dbraw/zinc/96/69/64/180966964.db2.gz SLQJJTHJRGGFCR-UHFFFAOYSA-N 0 0 316.361 3.170 50 5 DGBARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003407195 181015648 /nfs/dbraw/zinc/01/56/48/181015648.db2.gz HNZKUTPWQZSIBU-UHFFFAOYSA-N 0 0 313.288 3.396 50 5 DGBARN 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O=C1O/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21 ZINC000002172801 275026664 /nfs/dbraw/zinc/02/66/64/275026664.db2.gz XPWBSLOEKGVSAN-VGOFMYFVSA-N 0 0 312.237 3.172 50 5 DGBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(Cl)c1 ZINC000000356195 275031038 /nfs/dbraw/zinc/03/10/38/275031038.db2.gz QLBOOELISYNLAC-UHFFFAOYSA-N 0 0 302.673 3.049 50 5 DGBARN CC(C)(C)C(=O)Nc1ccc(Br)c(F)c1[N+](=O)[O-] ZINC000095217864 275509367 /nfs/dbraw/zinc/50/93/67/275509367.db2.gz QARADCBYASWAGY-UHFFFAOYSA-N 0 0 319.130 3.481 50 5 DGBARN CC1(C)CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000192549799 276137017 /nfs/dbraw/zinc/13/70/17/276137017.db2.gz GNVNHWFUZDZLJJ-ZETCQYMHSA-N 0 0 309.313 3.466 50 5 DGBARN CCc1nc2sc3c(ncn4cnnc34)c2c2c1CCCC2 ZINC000000500115 276703589 /nfs/dbraw/zinc/70/35/89/276703589.db2.gz NWWWDGLRMSJQIS-UHFFFAOYSA-N 0 0 309.398 3.328 50 5 DGBARN Cc1c(C(=O)N2CCSc3ncccc32)cccc1[N+](=O)[O-] ZINC000075146549 278587109 /nfs/dbraw/zinc/58/71/09/278587109.db2.gz 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431130623 /nfs/dbraw/zinc/13/06/23/431130623.db2.gz VYJSORVMGHDFMV-UHFFFAOYSA-N 0 0 304.327 3.236 50 5 DGBARN Cc1ccc(OCc2ccc(C(=O)NC(C)C)o2)c([N+](=O)[O-])c1 ZINC000000115345 431127377 /nfs/dbraw/zinc/12/73/77/431127377.db2.gz LSYHULXKEAFDMZ-UHFFFAOYSA-N 0 0 318.329 3.213 50 5 DGBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(F)cc1 ZINC000000177608 431140507 /nfs/dbraw/zinc/14/05/07/431140507.db2.gz HGLAOFQMJFBTAC-RIYZIHGNSA-N 0 0 312.256 3.078 50 5 DGBARN Cc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1[N+](=O)[O-] ZINC000000186215 431142754 /nfs/dbraw/zinc/14/27/54/431142754.db2.gz YJUXTKPEIJFAST-ZROIWOOFSA-N 0 0 308.293 3.248 50 5 DGBARN Cc1c([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2C(C)C)nn1C ZINC000000370999 431172548 /nfs/dbraw/zinc/17/25/48/431172548.db2.gz FVSLMYWQYDPOEQ-UHFFFAOYSA-N 0 0 316.361 3.321 50 5 DGBARN O=C(COc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000449624 431183624 /nfs/dbraw/zinc/18/36/24/431183624.db2.gz GJSVKHITKWOEHW-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN CC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000461403 431188642 /nfs/dbraw/zinc/18/86/42/431188642.db2.gz HJYJNADBTYANLR-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN CCOc1cc(CO)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000000470741 431190816 /nfs/dbraw/zinc/19/08/16/431190816.db2.gz KSYZSWBWPZZXLP-UHFFFAOYSA-N 0 0 303.314 3.065 50 5 DGBARN COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C)cc1SC ZINC000069535104 431199238 /nfs/dbraw/zinc/19/92/38/431199238.db2.gz WMTMUWCREDDYIZ-SNVBAGLBSA-N 0 0 324.402 3.340 50 5 DGBARN O=C(COC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000243534 431153909 /nfs/dbraw/zinc/15/39/09/431153909.db2.gz AOEVKXOIFBSNLR-UHFFFAOYSA-N 0 0 319.700 3.288 50 5 DGBARN CCOc1ccccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258350 431156580 /nfs/dbraw/zinc/15/65/80/431156580.db2.gz TWIJBBLURABKNS-UHFFFAOYSA-N 0 0 304.277 3.385 50 5 DGBARN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2)c2ccncc21 ZINC000069632463 431206088 /nfs/dbraw/zinc/20/60/88/431206088.db2.gz WNJBKYKJBIJOQI-MRXNPFEDSA-N 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COc1ccc(C(=O)N(C)Cc2sccc2C)cc1[N+](=O)[O-] ZINC000008185883 431384903 /nfs/dbraw/zinc/38/49/03/431384903.db2.gz GLFGMBIXFVFWJL-UHFFFAOYSA-N 0 0 320.370 3.246 50 5 DGBARN CCNc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000008586798 431402224 /nfs/dbraw/zinc/40/22/24/431402224.db2.gz MOKPTLQZHYNPOB-UHFFFAOYSA-N 0 0 311.301 3.139 50 5 DGBARN O=C(c1ccc(Cl)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000009721284 431444769 /nfs/dbraw/zinc/44/47/69/431444769.db2.gz YMGXWGQSDCHFQE-UHFFFAOYSA-N 0 0 302.717 3.451 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000010885500 431469082 /nfs/dbraw/zinc/46/90/82/431469082.db2.gz ZFHGVSHUJCDVBK-SNAWJCMRSA-N 0 0 314.366 3.254 50 5 DGBARN NC(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000009255237 431427800 /nfs/dbraw/zinc/42/78/00/431427800.db2.gz DRXBNSYGGCLTIL-UHFFFAOYSA-N 0 0 310.668 3.279 50 5 DGBARN CC(=O)c1ccccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000009364914 431430730 /nfs/dbraw/zinc/43/07/30/431430730.db2.gz 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Cc1nc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000032895676 431798951 /nfs/dbraw/zinc/79/89/51/431798951.db2.gz RBLDALDBZCWPHX-UHFFFAOYSA-N 0 0 311.301 3.424 50 5 DGBARN Cn1c(/C=C\c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000032275085 431776579 /nfs/dbraw/zinc/77/65/79/431776579.db2.gz VMRAASURDJFQAW-KTKRTIGZSA-N 0 0 307.309 3.012 50 5 DGBARN O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(CCO)cc2)c1 ZINC000040738612 431858212 /nfs/dbraw/zinc/85/82/12/431858212.db2.gz NLONJURKAMNUPG-UHFFFAOYSA-N 0 0 306.749 3.395 50 5 DGBARN CCc1ccc(NC(=O)N2CCC[C@H](COC)C2)cc1[N+](=O)[O-] ZINC000089286505 431862789 /nfs/dbraw/zinc/86/27/89/431862789.db2.gz CJCBWULTUNPLDE-LBPRGKRZSA-N 0 0 321.377 3.048 50 5 DGBARN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(-n2cccn2)cc1 ZINC000084651644 431831600 /nfs/dbraw/zinc/83/16/00/431831600.db2.gz XTVUSZMOLPQAOE-GFCCVEGCSA-N 0 0 309.329 3.349 50 5 DGBARN COc1cc(CN2CCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1O ZINC000093335360 431914987 /nfs/dbraw/zinc/91/49/87/431914987.db2.gz 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COc1ccccc1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000005869768 181291722 /nfs/dbraw/zinc/29/17/22/181291722.db2.gz SWQFHTSLRWUXPI-NSHDSACASA-N 0 0 316.313 3.009 50 5 DGBARN Cc1[nH]c2ccccc2c1C(=O)COc1cccnc1[N+](=O)[O-] ZINC000005971001 181302115 /nfs/dbraw/zinc/30/21/15/181302115.db2.gz UVGYXNYODCYIAK-UHFFFAOYSA-N 0 0 311.297 3.041 50 5 DGBARN CC(C)c1ocnc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000089891203 192897164 /nfs/dbraw/zinc/89/71/64/192897164.db2.gz NJIKDNOCDRQINN-UHFFFAOYSA-N 0 0 304.302 3.106 50 5 DGBARN CC(C)COC(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC000006693272 181370992 /nfs/dbraw/zinc/37/09/92/181370992.db2.gz RVDFSVVDUVHHKE-UHFFFAOYSA-N 0 0 313.309 3.464 50 5 DGBARN Cc1nc([N+](=O)[O-])c(SCC(=O)c2ccc(Cl)cc2)[nH]1 ZINC000006694155 181371121 /nfs/dbraw/zinc/37/11/21/181371121.db2.gz OEZAEZWHSAVPSH-UHFFFAOYSA-N 0 0 311.750 3.255 50 5 DGBARN CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006784014 181387624 /nfs/dbraw/zinc/38/76/24/181387624.db2.gz MTNUADAIDHTJQB-BJMVGYQFSA-N 0 0 313.313 3.040 50 5 DGBARN CCc1ccccc1NC(=O)CCCn1nc([N+](=O)[O-])cc1C ZINC000006814530 181394472 /nfs/dbraw/zinc/39/44/72/181394472.db2.gz NQXVUXIHSPPFKF-UHFFFAOYSA-N 0 0 316.361 3.081 50 5 DGBARN C[C@@]12CC[C@@H](C[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000253596075 202902665 /nfs/dbraw/zinc/90/26/65/202902665.db2.gz MVTPHFKACRPZAF-RJIBLYRGSA-N 0 0 320.301 3.239 50 5 DGBARN O=C(Nc1cc(Cl)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000095944636 193454731 /nfs/dbraw/zinc/45/47/31/193454731.db2.gz HZNIVNJXRFGWCK-UHFFFAOYSA-N 0 0 318.716 3.435 50 5 DGBARN CC[C@@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000096416627 193628880 /nfs/dbraw/zinc/62/88/80/193628880.db2.gz VBDNFEMYCAGCCX-OAHLLOKOSA-N 0 0 319.386 3.035 50 5 DGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCCC1 ZINC000012522974 181769563 /nfs/dbraw/zinc/76/95/63/181769563.db2.gz VQXUHQVGGWQZDH-UHFFFAOYSA-N 0 0 320.392 3.214 50 5 DGBARN Cc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000015965259 182026604 /nfs/dbraw/zinc/02/66/04/182026604.db2.gz DBXDTFZMKFONTP-UHFFFAOYSA-N 0 0 319.248 3.203 50 5 DGBARN O=[N+]([O-])c1ccc(NCCOC23CC4CC(CC(C4)C2)C3)nc1 ZINC000018247489 182100970 /nfs/dbraw/zinc/10/09/70/182100970.db2.gz ATBCNAXNERLQAW-UHFFFAOYSA-N 0 0 317.389 3.387 50 5 DGBARN CN(Cc1ccccc1Br)c1ncccc1[N+](=O)[O-] ZINC000021363893 182273104 /nfs/dbraw/zinc/27/31/04/182273104.db2.gz ULXMVUMDLBFYJZ-UHFFFAOYSA-N 0 0 322.162 3.389 50 5 DGBARN CC(C)(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000022995908 182344381 /nfs/dbraw/zinc/34/43/81/182344381.db2.gz JXTFWZONKMNENB-UHFFFAOYSA-N 0 0 321.377 3.406 50 5 DGBARN COc1ccc(F)cc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000024277981 182378105 /nfs/dbraw/zinc/37/81/05/182378105.db2.gz SJWSHBTUMTUWQQ-UHFFFAOYSA-N 0 0 305.261 3.100 50 5 DGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCO2 ZINC000027132852 182463564 /nfs/dbraw/zinc/46/35/64/182463564.db2.gz NVBYQYFUVDPOII-VMPITWQZSA-N 0 0 310.309 3.182 50 5 DGBARN Cc1c(NC(=O)NCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000040099075 183034940 /nfs/dbraw/zinc/03/49/40/183034940.db2.gz JPGABGVXRXKPMU-UHFFFAOYSA-N 0 0 303.293 3.364 50 5 DGBARN NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000040520106 183090410 /nfs/dbraw/zinc/09/04/10/183090410.db2.gz WFALAEHHPFJULL-UHFFFAOYSA-N 0 0 309.281 3.034 50 5 DGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-c2cnco2)c1 ZINC000048205380 183626912 /nfs/dbraw/zinc/62/69/12/183626912.db2.gz VEPIAWWZPFWJLW-UHFFFAOYSA-N 0 0 323.308 3.431 50 5 DGBARN O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 ZINC000053602078 183908055 /nfs/dbraw/zinc/90/80/55/183908055.db2.gz JZAYGIBATJYONX-LSDHHAIUSA-N 0 0 304.733 3.318 50 5 DGBARN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnc2ccccc2c1 ZINC000065859215 184381814 /nfs/dbraw/zinc/38/18/14/184381814.db2.gz BISBPZZAUKBAAZ-UHFFFAOYSA-N 0 0 322.324 3.194 50 5 DGBARN O=[N+]([O-])c1ccc(CC2N=NC(=S)N2c2ccccc2)cc1 ZINC000006534213 285116349 /nfs/dbraw/zinc/11/63/49/285116349.db2.gz DDWBDDWWIIJLLC-UHFFFAOYSA-N 0 0 312.354 3.055 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000029294173 285125656 /nfs/dbraw/zinc/12/56/56/285125656.db2.gz VGARVYVSUPMYFD-UHFFFAOYSA-N 0 0 324.340 3.063 50 5 DGBARN CCCCN(CCCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001656363 256514260 /nfs/dbraw/zinc/51/42/60/256514260.db2.gz HAWIWTYMXNVQBJ-UHFFFAOYSA-N 0 0 314.407 3.186 50 5 DGBARN O=C(C=Cc1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033907874 257211937 /nfs/dbraw/zinc/21/19/37/257211937.db2.gz ABIAIGRTEDYPIL-WDZFZDKYSA-N 0 0 311.293 3.034 50 5 DGBARN O[C@@H]1c2cc3ccc4cccc5ccc(c3c45)c2[C@@H]2O[C@@H]2[C@@H]1O ZINC000002001187 285337314 /nfs/dbraw/zinc/33/73/14/285337314.db2.gz DQEPMTIXHXSFOR-YSTOQKLRSA-N 0 0 302.329 3.432 50 5 in-vitro DGBARN CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000048278746 134751356 /nfs/dbraw/zinc/75/13/56/134751356.db2.gz HCBNUSIBDHRXIZ-UHFFFAOYSA-N 0 0 319.405 3.178 50 5 DGBARN CCNc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000009328417 285623180 /nfs/dbraw/zinc/62/31/80/285623180.db2.gz SEZLMBIZTULNJE-UHFFFAOYSA-N 0 0 309.325 3.331 50 5 DGBARN CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000072302474 400379598 /nfs/dbraw/zinc/37/95/98/400379598.db2.gz RLQOQSJLVWSRMF-GJZGRUSLSA-N 0 0 314.389 3.409 50 5 DGBARN O=C(CSCc1cccnc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000072274405 400377330 /nfs/dbraw/zinc/37/73/30/400377330.db2.gz LHRFAIQLBONCBT-UHFFFAOYSA-N 0 0 321.333 3.001 50 5 DGBARN O=[N+]([O-])c1cnccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000076063762 400630828 /nfs/dbraw/zinc/63/08/28/400630828.db2.gz VLMKJOLQEHYHNB-OAHLLOKOSA-N 0 0 313.357 3.033 50 5 DGBARN Cc1nn(C)c(C)c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130852688 196116166 /nfs/dbraw/zinc/11/61/66/196116166.db2.gz IFMHOWVUCJBSFZ-UHFFFAOYSA-N 0 0 314.389 3.110 50 5 DGBARN Cc1occc1SCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131492919 196174200 /nfs/dbraw/zinc/17/42/00/196174200.db2.gz JKUMNSLRAPKIPQ-UHFFFAOYSA-N 0 0 318.354 3.178 50 5 DGBARN Cc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1[N+](=O)[O-] ZINC000177844324 228334717 /nfs/dbraw/zinc/33/47/17/228334717.db2.gz NLKQTCIIJNOWHM-SNVBAGLBSA-N 0 0 319.748 3.443 50 5 DGBARN NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000180441698 228357090 /nfs/dbraw/zinc/35/70/90/228357090.db2.gz PALSHYSOVZZSRU-CQSZACIVSA-N 0 0 319.748 3.277 50 5 DGBARN CCn1c2ccccc2nc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000010651567 425704042 /nfs/dbraw/zinc/70/40/42/425704042.db2.gz XWPBERDBPZOJGE-UHFFFAOYSA-N 0 0 324.340 3.146 50 5 DGBARN Cc1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000002874937 274689998 /nfs/dbraw/zinc/68/99/98/274689998.db2.gz HEENRMSDYGSFDN-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN CCOC(=O)c1cc2c(nc1C)oc1ccc(Cl)cc1c2=O ZINC000003027706 276297654 /nfs/dbraw/zinc/29/76/54/276297654.db2.gz HMFNAWDNCYJPGP-UHFFFAOYSA-N 0 0 317.728 3.480 50 5 DGBARN Cc1cc2nc(Cc3cccc([N+](=O)[O-])c3)c(=O)[nH]c2cc1C ZINC000000104693 431126414 /nfs/dbraw/zinc/12/64/14/431126414.db2.gz QGHOBPOKVBSDIA-UHFFFAOYSA-N 0 0 309.325 3.039 50 5 DGBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccco1 ZINC000000027944 431112338 /nfs/dbraw/zinc/11/23/38/431112338.db2.gz DOSHLCJYWSSKGT-KPKJPENVSA-N 0 0 318.672 3.186 50 5 DGBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000062304 431117226 /nfs/dbraw/zinc/11/72/26/431117226.db2.gz WFLIQTSMTKJVHQ-UHFFFAOYSA-N 0 0 319.700 3.288 50 5 DGBARN Cc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000059852 431117404 /nfs/dbraw/zinc/11/74/04/431117404.db2.gz YJQBCUWRWHQCEJ-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000102069 431125809 /nfs/dbraw/zinc/12/58/09/431125809.db2.gz ZNZMAESWIOHMMI-UHFFFAOYSA-N 0 0 304.733 3.221 50 5 DGBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000157476 431137114 /nfs/dbraw/zinc/13/71/14/431137114.db2.gz UNQNIANBMFBFLI-UHFFFAOYSA-N 0 0 314.326 3.332 50 5 DGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Cl ZINC000000186126 431142547 /nfs/dbraw/zinc/14/25/47/431142547.db2.gz FMOYBIMMIKTZPE-UHFFFAOYSA-N 0 0 312.734 3.049 50 5 DGBARN Cc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000000309020 431161947 /nfs/dbraw/zinc/16/19/47/431161947.db2.gz AAZPLTKGWKFIQE-UHFFFAOYSA-N 0 0 313.309 3.251 50 5 DGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000000433891 431181703 /nfs/dbraw/zinc/18/17/03/431181703.db2.gz DKICAOSTNGFTTN-UHFFFAOYSA-N 0 0 320.688 3.229 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000000440268 431182145 /nfs/dbraw/zinc/18/21/45/431182145.db2.gz VYKAEFNWQHDKLP-NSHDSACASA-N 0 0 316.313 3.009 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000000452791 431186448 /nfs/dbraw/zinc/18/64/48/431186448.db2.gz MEXPDDWDYZKZJM-CMDGGOBGSA-N 0 0 308.337 3.193 50 5 DGBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1O ZINC000000467003 431188866 /nfs/dbraw/zinc/18/88/66/431188866.db2.gz PWJLXOMCQYDPFD-UHFFFAOYSA-N 0 0 307.689 3.311 50 5 DGBARN COC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000483572 431191208 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ZINC000001016387 431209920 /nfs/dbraw/zinc/20/99/20/431209920.db2.gz GMHRZYJJJUFVKQ-AWEZNQCLSA-N 0 0 310.309 3.305 50 5 DGBARN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)o2)c1 ZINC000001378701 431220262 /nfs/dbraw/zinc/22/02/62/431220262.db2.gz YMGCZTQTGNNWIG-UHFFFAOYSA-N 0 0 314.326 3.332 50 5 DGBARN Cc1cc(C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000001628075 431234229 /nfs/dbraw/zinc/23/42/29/431234229.db2.gz SPHQXDSNIWEZNM-UHFFFAOYSA-N 0 0 321.354 3.288 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(F)cc1 ZINC000001752591 431238244 /nfs/dbraw/zinc/23/82/44/431238244.db2.gz NTLCJXPHOOABMO-UHFFFAOYSA-N 0 0 306.249 3.353 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000002080174 431243943 /nfs/dbraw/zinc/24/39/43/431243943.db2.gz CLZPCJAYUMKBAH-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002080115 431245946 /nfs/dbraw/zinc/24/59/46/431245946.db2.gz GLARJPKFAAHQBC-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN COc1cccc(OCCCOc2ccccc2[N+](=O)[O-])c1 ZINC000002906353 431276116 /nfs/dbraw/zinc/27/61/16/431276116.db2.gz XTXWQZJVCLLLHB-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN COc1ccc(OCCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000002906315 431276127 /nfs/dbraw/zinc/27/61/27/431276127.db2.gz BJTHKXHNWOKENI-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN CCc1nc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000071795768 431290144 /nfs/dbraw/zinc/29/01/44/431290144.db2.gz MGKRSHZUKKIRBK-UHFFFAOYSA-N 0 0 305.359 3.199 50 5 DGBARN Cc1cc([N+](=O)[O-])c(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003877752 431291815 /nfs/dbraw/zinc/29/18/15/431291815.db2.gz DTRJCTVAUMQBSH-UHFFFAOYSA-N 0 0 301.302 3.466 50 5 DGBARN Nc1nc(NC(c2ccccc2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000071810484 431292605 /nfs/dbraw/zinc/29/26/05/431292605.db2.gz WAYWSRFTYOJUEI-UHFFFAOYSA-N 0 0 321.340 3.169 50 5 DGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccco3)nc21 ZINC000004070158 431298165 /nfs/dbraw/zinc/29/81/65/431298165.db2.gz UFNPAMJYGSMTAQ-UHFFFAOYSA-N 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CC(C)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000097105119 431961103 /nfs/dbraw/zinc/96/11/03/431961103.db2.gz ZHTOKVOEVSXDCC-SECBINFHSA-N 0 0 303.405 3.135 50 5 DGBARN O=C(Cc1nc2cc([N+](=O)[O-])ccc2[nH]c1=O)c1ccccc1 ZINC000101712644 431987843 /nfs/dbraw/zinc/98/78/43/431987843.db2.gz STBHFUGEKVMJSL-DHDCSXOGSA-N 0 0 309.281 3.300 50 5 DGBARN Cc1cc(N2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000058158544 431995472 /nfs/dbraw/zinc/99/54/72/431995472.db2.gz LZMQRLBKIODTPF-UHFFFAOYSA-N 0 0 318.402 3.076 50 5 DGBARN O=C(c1ccnc(C2CC2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000253427335 432397988 /nfs/dbraw/zinc/39/79/88/432397988.db2.gz RIVLVIZKTTXANU-UHFFFAOYSA-N 0 0 323.352 3.460 50 5 DGBARN CO[C@@H]1CCC[C@H](OC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000254990069 432406252 /nfs/dbraw/zinc/40/62/52/432406252.db2.gz VLTOELHTWXPKSR-APMKWMSLSA-N 0 0 323.320 3.248 50 5 DGBARN Cc1csc([C@@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000185988707 432552165 /nfs/dbraw/zinc/55/21/65/432552165.db2.gz 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CCc1ccc(NC(=O)N[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000095416925 185359326 /nfs/dbraw/zinc/35/93/26/185359326.db2.gz JYPOETJDTUSNOS-NSHDSACASA-N 0 0 321.377 3.094 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(Sc2nnc(CN3CCCC3)o2)c1 ZINC000095410401 185357169 /nfs/dbraw/zinc/35/71/69/185357169.db2.gz YWYHXQXTWVCYGW-UHFFFAOYSA-N 0 0 320.374 3.033 50 5 DGBARN Cc1ncc([N+](=O)[O-])n1Cc1coc(-c2c(F)cccc2F)n1 ZINC000095433591 185364188 /nfs/dbraw/zinc/36/41/88/185364188.db2.gz OAWXTBFUJXSLQI-UHFFFAOYSA-N 0 0 320.255 3.081 50 5 DGBARN CSC(C)(C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097010418 185396597 /nfs/dbraw/zinc/39/65/97/185396597.db2.gz IYSBEZLKGDCOMC-SNVBAGLBSA-N 0 0 311.407 3.097 50 5 DGBARN Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1C[C@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000104054946 432014003 /nfs/dbraw/zinc/01/40/03/432014003.db2.gz KXNOTNFTDYFDHS-MQIPJXDCSA-N 0 0 320.389 3.225 50 5 DGBARN Nc1nc(Nc2ccc(SC(F)F)cc2)ncc1[N+](=O)[O-] ZINC000071285552 190953613 /nfs/dbraw/zinc/95/36/13/190953613.db2.gz 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COc1ccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002621860 180940220 /nfs/dbraw/zinc/94/02/20/180940220.db2.gz SJIOALXXAYPXOA-JXMROGBWSA-N 0 0 313.309 3.360 50 5 DGBARN CC(C)(C)SCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002984631 180974106 /nfs/dbraw/zinc/97/41/06/180974106.db2.gz RABHVEZSKMLFLP-BQYQJAHWSA-N 0 0 308.403 3.256 50 5 DGBARN O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc2ccccn21 ZINC000003370772 181012348 /nfs/dbraw/zinc/01/23/48/181012348.db2.gz PPHXSEFPXIMYIZ-UHFFFAOYSA-N 0 0 306.734 3.442 50 5 DGBARN CC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000003904226 181054849 /nfs/dbraw/zinc/05/48/49/181054849.db2.gz JZGJMIWZTVJFJD-ZDUSSCGKSA-N 0 0 308.381 3.069 50 5 DGBARN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2)c2ncccc12 ZINC000004046010 181066657 /nfs/dbraw/zinc/06/66/57/181066657.db2.gz JRQOWPJRZGLPCA-MRXNPFEDSA-N 0 0 309.325 3.289 50 5 DGBARN CCOC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003913751 181058036 /nfs/dbraw/zinc/05/80/36/181058036.db2.gz VLLMBXXMLLODTF-UHFFFAOYSA-N 0 0 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O=[N+]([O-])c1ccc2ncnc(NCCc3ccsc3)c2c1 ZINC000081589652 192298655 /nfs/dbraw/zinc/29/86/55/192298655.db2.gz HKYXTRHFFBPFQD-UHFFFAOYSA-N 0 0 300.343 3.254 50 5 DGBARN NC(=O)c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000005832500 181287683 /nfs/dbraw/zinc/28/76/83/181287683.db2.gz UXLPQAHCTYRGPI-AWEZNQCLSA-N 0 0 311.341 3.183 50 5 DGBARN CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000005851321 181289949 /nfs/dbraw/zinc/28/99/49/181289949.db2.gz BLAXIVFXXRDMRT-UHFFFAOYSA-N 0 0 320.370 3.118 50 5 DGBARN CCSCC[C@H](C)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000170613120 432074049 /nfs/dbraw/zinc/07/40/49/432074049.db2.gz DMJHRJNTFSVGDK-JTQLQIEISA-N 0 0 308.407 3.439 50 5 DGBARN COc1ccc(Cl)cc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000006270588 181324925 /nfs/dbraw/zinc/32/49/25/181324925.db2.gz UVOCPDCGEPNZTG-UHFFFAOYSA-N 0 0 307.689 3.476 50 5 DGBARN O=C(NCCc1ccc(F)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006628059 181363239 /nfs/dbraw/zinc/36/32/39/181363239.db2.gz MJYLWTDTPPHSGT-UHFFFAOYSA-N 0 0 322.723 3.360 50 5 DGBARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC000006507823 284042007 /nfs/dbraw/zinc/04/20/07/284042007.db2.gz OUJMDVMXEZUENQ-GFCCVEGCSA-N 0 0 302.355 3.464 50 5 DGBARN Cc1nn(C)c(N2CCC(c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000275007807 212069471 /nfs/dbraw/zinc/06/94/71/212069471.db2.gz PFNMAGIBVUTAQT-UHFFFAOYSA-N 0 0 306.391 3.082 50 5 DGBARN CS(=O)(=O)c1ccccc1Sc1sccc1[N+](=O)[O-] ZINC000095986651 193479113 /nfs/dbraw/zinc/47/91/13/193479113.db2.gz HUKUYSBVTPCUPV-UHFFFAOYSA-N 0 0 315.397 3.211 50 5 DGBARN O=C(c1cccc(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000008919124 181590835 /nfs/dbraw/zinc/59/08/35/181590835.db2.gz OYQCZNOVIRHOSL-UHFFFAOYSA-N 0 0 302.717 3.451 50 5 DGBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2[nH]1 ZINC000009364775 181617321 /nfs/dbraw/zinc/61/73/21/181617321.db2.gz UHSUIBBWVFBSIA-MRVPVSSYSA-N 0 0 316.342 3.024 50 5 DGBARN Cc1ccc(C(=O)c2nccn2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000012447647 181764630 /nfs/dbraw/zinc/76/46/30/181764630.db2.gz RLBXZTUAMRVDHS-UHFFFAOYSA-N 0 0 321.336 3.379 50 5 DGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000012784232 181797122 /nfs/dbraw/zinc/79/71/22/181797122.db2.gz KQGKXOJZHAKFEY-UHFFFAOYSA-N 0 0 300.289 3.475 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F ZINC000005257067 284315631 /nfs/dbraw/zinc/31/56/31/284315631.db2.gz POSVPQZTHXSDNW-UHFFFAOYSA-N 0 0 302.130 3.114 50 5 DGBARN CN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1[N+](=O)[O-] ZINC000015249357 181992867 /nfs/dbraw/zinc/99/28/67/181992867.db2.gz SWJGAKVTUYIBJG-SIFUEBAJSA-N 0 0 309.325 3.132 50 5 DGBARN O=C(NCCOc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000016009542 182028422 /nfs/dbraw/zinc/02/84/22/182028422.db2.gz OPOLNQUBVAPCNJ-UHFFFAOYSA-N 0 0 320.732 3.057 50 5 DGBARN O=C(Nc1cccnc1)c1cccc2nc3ccccc3nc21 ZINC000005332301 284375249 /nfs/dbraw/zinc/37/52/49/284375249.db2.gz RQXLRXAPPVOZAA-UHFFFAOYSA-N 0 0 300.321 3.430 50 5 DGBARN COc1cc(NCc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000023283377 182355412 /nfs/dbraw/zinc/35/54/12/182355412.db2.gz VRXDVKAHDLXBFJ-UHFFFAOYSA-N 0 0 318.329 3.233 50 5 DGBARN O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000024234705 182377274 /nfs/dbraw/zinc/37/72/74/182377274.db2.gz SGOOOLYBAKNRAG-UHFFFAOYSA-N 0 0 324.340 3.440 50 5 DGBARN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000027635919 182484011 /nfs/dbraw/zinc/48/40/11/182484011.db2.gz WSGIYQBGOLEMBV-CYBMUJFWSA-N 0 0 302.330 3.357 50 5 DGBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1O ZINC000029829033 182578239 /nfs/dbraw/zinc/57/82/39/182578239.db2.gz INKUWJYMPAQZEN-UHFFFAOYSA-N 0 0 320.732 3.226 50 5 DGBARN CCC(CC)N(CCOC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040153496 183040627 /nfs/dbraw/zinc/04/06/27/183040627.db2.gz FUZQMMQBDGQTNV-UHFFFAOYSA-N 0 0 309.366 3.264 50 5 DGBARN Cc1ccc(-c2csc(NC(=O)[C@@H]3CC3[N+](=O)[O-])n2)cc1C ZINC000040114723 183037398 /nfs/dbraw/zinc/03/73/98/183037398.db2.gz OSHGPOJUTLYKSU-YPMHNXCESA-N 0 0 317.370 3.031 50 5 DGBARN O=C(NCCc1ccccn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000040526348 183092574 /nfs/dbraw/zinc/09/25/74/183092574.db2.gz RJEMQXVIQUAZFG-UHFFFAOYSA-N 0 0 320.736 3.007 50 5 DGBARN Cc1cccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000041156590 183179187 /nfs/dbraw/zinc/17/91/87/183179187.db2.gz PKBXPHDXLPQFNW-UHFFFAOYSA-N 0 0 314.341 3.020 50 5 DGBARN Cc1noc(C)c1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043346371 183356554 /nfs/dbraw/zinc/35/65/54/183356554.db2.gz HYAGEFCMXOTDPF-UHFFFAOYSA-N 0 0 318.333 3.172 50 5 DGBARN O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000104809829 194043440 /nfs/dbraw/zinc/04/34/40/194043440.db2.gz AQCKEXFCENMBEM-MRXNPFEDSA-N 0 0 319.324 3.242 50 5 DGBARN CCN(Cc1ccccc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056459532 184012704 /nfs/dbraw/zinc/01/27/04/184012704.db2.gz YMVXUSOINSOZGG-UHFFFAOYSA-N 0 0 313.357 3.327 50 5 DGBARN CC(=O)c1ccc(NCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])c1 ZINC000058169246 184083825 /nfs/dbraw/zinc/08/38/25/184083825.db2.gz LRXCLZGWBWBWKG-UHFFFAOYSA-N 0 0 324.340 3.366 50 5 DGBARN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000058370520 184109769 /nfs/dbraw/zinc/10/97/69/184109769.db2.gz ASCKZMAHUDNDLK-UHFFFAOYSA-N 0 0 317.389 3.210 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cc2ccccc2[nH]1 ZINC000058903391 184131195 /nfs/dbraw/zinc/13/11/95/184131195.db2.gz ZEVVNRHBWFYBCI-CMDGGOBGSA-N 0 0 321.336 3.406 50 5 DGBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1 ZINC000014007831 285031059 /nfs/dbraw/zinc/03/10/59/285031059.db2.gz ATRAYESSMUNAEM-UHFFFAOYSA-N 0 0 302.252 3.186 50 5 DGBARN O=[N+]([O-])c1c(F)c(Br)cc(F)c1Br ZINC000149469328 285075891 /nfs/dbraw/zinc/07/58/91/285075891.db2.gz IKHKNAWYZYPTGT-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN O=c1c2cc(F)c(F)c(F)c2sc2nc3ccccc3n21 ZINC000001425215 285209272 /nfs/dbraw/zinc/20/92/72/285209272.db2.gz REQGBYIHIIFISZ-UHFFFAOYSA-N 0 0 306.268 3.480 50 5 DGBARN COc1cnc(SC)nc1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000019891353 400187833 /nfs/dbraw/zinc/18/78/33/400187833.db2.gz UJONPAROTYGTHN-VMPITWQZSA-N 0 0 303.343 3.286 50 5 DGBARN CSC[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072292584 400379307 /nfs/dbraw/zinc/37/93/07/400379307.db2.gz RDUHULZTOJOTNP-LLVKDONJSA-N 0 0 309.391 3.120 50 5 DGBARN CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000072302476 400380432 /nfs/dbraw/zinc/38/04/32/400380432.db2.gz RLQOQSJLVWSRMF-CABCVRRESA-N 0 0 314.389 3.409 50 5 DGBARN COc1ccc2c(c1)C1=NN[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]1CC2 ZINC000034132665 400385773 /nfs/dbraw/zinc/38/57/73/400385773.db2.gz GDIHKJVAINMPKA-DOTOQJQBSA-N 0 0 323.352 3.214 50 5 DGBARN Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)c(N)c([N+](=O)[O-])c1 ZINC000072282455 400376932 /nfs/dbraw/zinc/37/69/32/400376932.db2.gz LCRKVPLCKJIQOT-UHFFFAOYSA-N 0 0 310.313 3.219 50 5 DGBARN CC(C)(C)[C@@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000072286530 400377786 /nfs/dbraw/zinc/37/77/86/400377786.db2.gz NMNKMXPHXCKQDB-CYBMUJFWSA-N 0 0 315.377 3.036 50 5 DGBARN COc1cc(C)sc1C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072654371 400395306 /nfs/dbraw/zinc/39/53/06/400395306.db2.gz JJWPOHQNZSDXTG-UHFFFAOYSA-N 0 0 320.370 3.246 50 5 DGBARN O=[N+]([O-])c1ccc(-c2noc(NCC3(C4CC4)CC3)n2)cc1 ZINC000131222271 196151738 /nfs/dbraw/zinc/15/17/38/196151738.db2.gz UXDISGRFXGRKJM-UHFFFAOYSA-N 0 0 300.318 3.247 50 5 DGBARN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]4[C@H]23)c([N+](=O)[O-])c1 ZINC000247318476 432222144 /nfs/dbraw/zinc/22/21/44/432222144.db2.gz LCQCZRRBUXXKQU-OGMFBOKVSA-N 0 0 304.302 3.064 50 5 DGBARN CSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134356075 196380555 /nfs/dbraw/zinc/38/05/55/196380555.db2.gz OBTNYUKFTYNIEJ-SECBINFHSA-N 0 0 316.810 3.462 50 5 DGBARN Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000072139928 274754390 /nfs/dbraw/zinc/75/43/90/274754390.db2.gz RGVUBCNOPRVZKK-UHFFFAOYSA-N 0 0 318.245 3.463 50 5 DGBARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000315773 275026609 /nfs/dbraw/zinc/02/66/09/275026609.db2.gz BFUCAADLOAXGCB-NTEUORMPSA-N 0 0 312.256 3.078 50 5 DGBARN CCNc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000008587160 276271177 /nfs/dbraw/zinc/27/11/77/276271177.db2.gz UNCGYGHABYKEQR-UHFFFAOYSA-N 0 0 311.301 3.139 50 5 DGBARN CCOc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 ZINC000000034461 276494048 /nfs/dbraw/zinc/49/40/48/276494048.db2.gz GIJFMVRFLAXIGY-UHFFFAOYSA-N 0 0 300.270 3.352 50 5 DGBARN COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)OCC2 ZINC000006668144 277854906 /nfs/dbraw/zinc/85/49/06/277854906.db2.gz JZPAUVNVSYPVBB-QGZVFWFLSA-N 0 0 315.325 3.274 50 5 DGBARN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccn3)no2)c1 ZINC000000070423 431118974 /nfs/dbraw/zinc/11/89/74/431118974.db2.gz WFDDATFBTRCTKM-UHFFFAOYSA-N 0 0 302.677 3.360 50 5 DGBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2[nH]c3ccccc3c(=O)c12 ZINC000000081344 431119619 /nfs/dbraw/zinc/11/96/19/431119619.db2.gz MPFDDCRXFAWJHX-UHFFFAOYSA-N 0 0 320.308 3.084 50 5 DGBARN Cc1ccc2nsnc2c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000097629 431124241 /nfs/dbraw/zinc/12/42/41/431124241.db2.gz UXDBCFXOVRXVBK-UHFFFAOYSA-N 0 0 314.326 3.160 50 5 DGBARN Cc1cccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1 ZINC000000177259 431139919 /nfs/dbraw/zinc/13/99/19/431139919.db2.gz SSCKELHGUPDABM-UVTDQMKNSA-N 0 0 308.293 3.248 50 5 DGBARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000185580 431142606 /nfs/dbraw/zinc/14/26/06/431142606.db2.gz DFEUJLWUCFSYFQ-GFCCVEGCSA-N 0 0 323.352 3.437 50 5 biogenic DGBARN O=[N+]([O-])c1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1 ZINC000000181020 431141383 /nfs/dbraw/zinc/14/13/83/431141383.db2.gz LYSQIXCEOFOZCM-UHFFFAOYSA-N 0 0 300.705 3.496 50 5 DGBARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000185574 431142139 /nfs/dbraw/zinc/14/21/39/431142139.db2.gz DFEUJLWUCFSYFQ-LBPRGKRZSA-N 0 0 323.352 3.437 50 5 biogenic DGBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC000000331109 431169131 /nfs/dbraw/zinc/16/91/31/431169131.db2.gz JLEWIIIFJYVHHA-UHFFFAOYSA-N 0 0 318.304 3.368 50 5 DGBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1C ZINC000000370908 431173519 /nfs/dbraw/zinc/17/35/19/431173519.db2.gz DGHCBDHSDJADCB-UHFFFAOYSA-N 0 0 308.725 3.025 50 5 DGBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(F)c1 ZINC000000431159 431180262 /nfs/dbraw/zinc/18/02/62/431180262.db2.gz YAOHAHZFYBYJJH-ZSOIEALJSA-N 0 0 312.256 3.078 50 5 DGBARN Cc1ccsc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000000430107 431181398 /nfs/dbraw/zinc/18/13/98/431181398.db2.gz YMWDGWRTCCNRFL-XYOKQWHBSA-N 0 0 314.322 3.309 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000000470301 431187942 /nfs/dbraw/zinc/18/79/42/431187942.db2.gz XCTXJFDIPMKRKI-UHFFFAOYSA-N 0 0 307.689 3.233 50 5 DGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1 ZINC000000466141 431188946 /nfs/dbraw/zinc/18/89/46/431188946.db2.gz VPDCVGSETYLZIM-BJMVGYQFSA-N 0 0 314.316 3.106 50 5 DGBARN O=[N+]([O-])c1cnn(Cc2csc(-c3ccccc3F)n2)c1 ZINC000069454733 431190472 /nfs/dbraw/zinc/19/04/72/431190472.db2.gz AFGAVFRKDBVEMK-UHFFFAOYSA-N 0 0 304.306 3.102 50 5 DGBARN COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000483236 431190721 /nfs/dbraw/zinc/19/07/21/431190721.db2.gz YARZAEFPGMHYPL-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000483037 431190882 /nfs/dbraw/zinc/19/08/82/431190882.db2.gz SLIBOITYFJMTBY-UHFFFAOYSA-N 0 0 304.733 3.487 50 5 DGBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cn2)c1 ZINC000069493592 431191929 /nfs/dbraw/zinc/19/19/29/431191929.db2.gz RISYYXSXJXPNGU-UHFFFAOYSA-N 0 0 307.306 3.103 50 5 DGBARN Cc1occc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000484150 431193067 /nfs/dbraw/zinc/19/30/67/431193067.db2.gz BYVKVLLYQVWSGI-UHFFFAOYSA-N 0 0 303.299 3.358 50 5 DGBARN CC(C)(C)Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000000208227 431144917 /nfs/dbraw/zinc/14/49/17/431144917.db2.gz GWXCWZXHWUQIEV-UHFFFAOYSA-N 0 0 322.756 3.387 50 5 DGBARN CCOC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000258263 431155637 /nfs/dbraw/zinc/15/56/37/431155637.db2.gz ULGZVQHCZAZIOA-UHFFFAOYSA-N 0 0 300.314 3.384 50 5 DGBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000000288317 431160274 /nfs/dbraw/zinc/16/02/74/431160274.db2.gz CSBUZMGXYUJXJU-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000000271739 431160416 /nfs/dbraw/zinc/16/04/16/431160416.db2.gz WYXCEUIAOIFZSG-UHFFFAOYSA-N 0 0 300.192 3.459 50 5 DGBARN O=Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000780210 431207879 /nfs/dbraw/zinc/20/78/79/431207879.db2.gz PDCAEIBQWJAKHA-UHFFFAOYSA-N 0 0 305.673 3.280 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000001673526 431234954 /nfs/dbraw/zinc/23/49/54/431234954.db2.gz LMGCNSZBVIPYHM-UHFFFAOYSA-N 0 0 302.246 3.147 50 5 DGBARN COC(=O)c1ccccc1N[C@@H](OC)c1cccc([N+](=O)[O-])c1 ZINC000001738073 431238681 /nfs/dbraw/zinc/23/86/81/431238681.db2.gz SMSMAGCNGZJGIP-HNNXBMFYSA-N 0 0 316.313 3.139 50 5 DGBARN CCSc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000002026124 431240701 /nfs/dbraw/zinc/24/07/01/431240701.db2.gz AJCOMCAVYUEJOQ-UHFFFAOYSA-N 0 0 324.387 3.119 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NCc1ccccc1[N+](=O)[O-] ZINC000002031419 431245676 /nfs/dbraw/zinc/24/56/76/431245676.db2.gz JLGDHEYXFGJEJX-UHFFFAOYSA-N 0 0 303.274 3.124 50 5 DGBARN O=[N+]([O-])c1cccc(NCCNc2cccc([N+](=O)[O-])c2)c1 ZINC000002187273 431248550 /nfs/dbraw/zinc/24/85/50/431248550.db2.gz IZANSGUAGQZIFU-UHFFFAOYSA-N 0 0 302.290 3.027 50 5 DGBARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000002442555 431251794 /nfs/dbraw/zinc/25/17/94/431251794.db2.gz VHEKBKZVGIIXOM-UHFFFAOYSA-N 0 0 323.352 3.357 50 5 DGBARN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002873758 431276080 /nfs/dbraw/zinc/27/60/80/431276080.db2.gz QFIMSQBUDJYEOL-UHFFFAOYSA-N 0 0 324.383 3.118 50 5 DGBARN O=c1c2cc(Cl)ccc2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000003124335 431283688 /nfs/dbraw/zinc/28/36/88/431283688.db2.gz GGRXXDWFNMCZPI-UHFFFAOYSA-N 0 0 315.716 3.006 50 5 DGBARN C[C@@H]1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071785301 431287576 /nfs/dbraw/zinc/28/75/76/431287576.db2.gz ZMTHIKDASZJPDG-NXEZZACHSA-N 0 0 308.290 3.096 50 5 DGBARN CC(C)(C)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000003199558 431287995 /nfs/dbraw/zinc/28/79/95/431287995.db2.gz BSNWGLAZGQCQAV-QPJJXVBHSA-N 0 0 314.288 3.124 50 5 DGBARN Cc1c(C(=O)OCCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000003271975 431291256 /nfs/dbraw/zinc/29/12/56/431291256.db2.gz PBCSIVKAEAYCBB-UHFFFAOYSA-N 0 0 319.288 3.278 50 5 DGBARN CCn1c2ccccc2c(N2CCC(C)CC2)c([N+](=O)[O-])c1=O ZINC000004264106 431296055 /nfs/dbraw/zinc/29/60/55/431296055.db2.gz ZJTDUGXANJCHPU-UHFFFAOYSA-N 0 0 315.373 3.166 50 5 biogenic,in-vitro DGBARN O=C(Nc1nc2c(s1)CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000004079337 431298487 /nfs/dbraw/zinc/29/84/87/431298487.db2.gz JGZMLZFMHKDHRM-UHFFFAOYSA-N 0 0 304.331 3.184 50 5 DGBARN CCCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000004660657 431300759 /nfs/dbraw/zinc/30/07/59/431300759.db2.gz ZVACUIDCWGMTHR-CYBMUJFWSA-N 0 0 319.405 3.361 50 5 DGBARN Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000071857390 431301702 /nfs/dbraw/zinc/30/17/02/431301702.db2.gz NUTOLWGTDPSWAI-ZETCQYMHSA-N 0 0 307.281 3.081 50 5 DGBARN Cc1ccccc1[C@@H](C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000071916458 431317160 /nfs/dbraw/zinc/31/71/60/431317160.db2.gz BYZBZLXGYGGKAC-SNVBAGLBSA-N 0 0 319.748 3.443 50 5 DGBARN C[C@@H](Cc1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000071894052 431310987 /nfs/dbraw/zinc/31/09/87/431310987.db2.gz LLRAMKAPNQJDKE-VIFPVBQESA-N 0 0 308.721 3.202 50 5 DGBARN NC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000002644168 431261405 /nfs/dbraw/zinc/26/14/05/431261405.db2.gz IGUYDXXRNZLALC-UHFFFAOYSA-N 0 0 308.746 3.498 50 5 DGBARN NC(=O)c1ccc(Oc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000002665235 431262852 /nfs/dbraw/zinc/26/28/52/431262852.db2.gz NTFJJPIFMVYTIW-UHFFFAOYSA-N 0 0 309.281 3.034 50 5 DGBARN CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002772311 431267362 /nfs/dbraw/zinc/26/73/62/431267362.db2.gz SEMOGKGQRCSNNF-LBPRGKRZSA-N 0 0 314.407 3.088 50 5 DGBARN Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000002923771 431275610 /nfs/dbraw/zinc/27/56/10/431275610.db2.gz IRIXNJMNGNFXGF-UHFFFAOYSA-N 0 0 300.270 3.351 50 5 DGBARN Cc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000007121105 431335987 /nfs/dbraw/zinc/33/59/87/431335987.db2.gz ZWVDIDAPYQPTMG-UHFFFAOYSA-N 0 0 305.311 3.004 50 5 DGBARN CC(C)c1ccc(-c2nnn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000007544368 431354250 /nfs/dbraw/zinc/35/42/50/431354250.db2.gz BHCXPVZDXVUWGU-UHFFFAOYSA-N 0 0 323.356 3.420 50 5 DGBARN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)sc2c1 ZINC000008986467 431418969 /nfs/dbraw/zinc/41/89/69/431418969.db2.gz ABKCJAMKIKXOIW-UHFFFAOYSA-N 0 0 316.342 3.104 50 5 DGBARN COC(=O)c1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000007977506 431374927 /nfs/dbraw/zinc/37/49/27/431374927.db2.gz KFMMMIIAUYJYAI-UHFFFAOYSA-N 0 0 305.261 3.100 50 5 DGBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C(C)C ZINC000008131505 431381768 /nfs/dbraw/zinc/38/17/68/431381768.db2.gz QVBPVCSNCFOSII-UHFFFAOYSA-N 0 0 318.377 3.290 50 5 DGBARN COc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])c(OC)c1 ZINC000008317516 431392306 /nfs/dbraw/zinc/39/23/06/431392306.db2.gz TUKCQLCWGJNXBF-UHFFFAOYSA-N 0 0 320.330 3.065 50 5 DGBARN CC(=O)Nc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000008308289 431394717 /nfs/dbraw/zinc/39/47/17/431394717.db2.gz DEHRTPWYCYNILM-UHFFFAOYSA-N 0 0 317.330 3.006 50 5 DGBARN CC(=O)[C@H](C)Oc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000008510819 431398979 /nfs/dbraw/zinc/39/89/79/431398979.db2.gz REGVOEBDZBNXHW-NSHDSACASA-N 0 0 312.321 3.317 50 5 biogenic DGBARN COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008493965 431400035 /nfs/dbraw/zinc/40/00/35/431400035.db2.gz AOZJWMAUYLVCAE-UHFFFAOYSA-N 0 0 318.241 3.116 50 5 DGBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000004010590 279817513 /nfs/dbraw/zinc/81/75/13/279817513.db2.gz SZQHBRHLKJOHEK-UHFFFAOYSA-N 0 0 300.358 3.293 50 5 DGBARN Cc1nn([C@H](C)c2nnc(-c3ccccc3)o2)c(C)c1[N+](=O)[O-] ZINC000075092386 431450713 /nfs/dbraw/zinc/45/07/13/431450713.db2.gz YIYRXWDOJUMELU-LLVKDONJSA-N 0 0 313.317 3.067 50 5 DGBARN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(Cl)c1 ZINC000075127487 431455505 /nfs/dbraw/zinc/45/55/05/431455505.db2.gz FOXUOPLMAWGCEK-VIFPVBQESA-N 0 0 317.732 3.235 50 5 DGBARN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc1 ZINC000009314243 431428265 /nfs/dbraw/zinc/42/82/65/431428265.db2.gz FRKNAUHNDZZVCU-UHFFFAOYSA-N 0 0 312.329 3.125 50 5 DGBARN CSc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000009315750 431430093 /nfs/dbraw/zinc/43/00/93/431430093.db2.gz VNLPCNJJYPUNDX-UHFFFAOYSA-N 0 0 303.343 3.272 50 5 DGBARN O=[N+]([O-])c1c(F)cc(Br)c(Br)c1F ZINC000263624684 280353692 /nfs/dbraw/zinc/35/36/92/280353692.db2.gz SOYUTSGUKNIBEV-UHFFFAOYSA-N 0 0 316.883 3.398 50 5 DGBARN O=[N+]([O-])c1ccc(I)cc1C(F)(F)F ZINC000015444469 280365602 /nfs/dbraw/zinc/36/56/02/280365602.db2.gz RVEQXLQKLMGPHL-UHFFFAOYSA-N 0 0 317.004 3.218 50 5 DGBARN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000015041781 431601727 /nfs/dbraw/zinc/60/17/27/431601727.db2.gz QLSOWYNWUALEMX-UHFFFAOYSA-N 0 0 316.357 3.244 50 5 DGBARN CC(=O)c1ccc(N[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000025567253 431659266 /nfs/dbraw/zinc/65/92/66/431659266.db2.gz KEIFCURZMANCIF-ZDUSSCGKSA-N 0 0 314.345 3.020 50 5 DGBARN Nc1nc2oc3ccccc3c(=O)c2cc1C(=O)c1ccccc1 ZINC000019794158 431618681 /nfs/dbraw/zinc/61/86/81/431618681.db2.gz CGMMNYZELXYBKB-UHFFFAOYSA-N 0 0 316.316 3.154 50 5 DGBARN Cc1csc2nc(=O)c3cnc4ccc(Cl)cc4c3n12 ZINC000020744896 431625482 /nfs/dbraw/zinc/62/54/82/431625482.db2.gz BUJZYEQQHUSFAS-UHFFFAOYSA-N 0 0 301.758 3.419 50 5 DGBARN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-n2ccnc2)c1 ZINC000078570120 431682256 /nfs/dbraw/zinc/68/22/56/431682256.db2.gz MYVOUCBZEFSXLI-GFCCVEGCSA-N 0 0 309.329 3.349 50 5 DGBARN COC(=O)c1ccc(CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000030522214 431739160 /nfs/dbraw/zinc/73/91/60/431739160.db2.gz MZVBOCODQKTLKS-UHFFFAOYSA-N 0 0 300.314 3.018 50 5 DGBARN Cc1ccc(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)o1 ZINC000029270926 431718587 /nfs/dbraw/zinc/71/85/87/431718587.db2.gz JDHYZKZJCLLEKP-UHFFFAOYSA-N 0 0 320.370 3.247 50 5 DGBARN O=[N+]([O-])c1cccc(-c2noc(CSc3ccccn3)n2)c1 ZINC000031840788 431765971 /nfs/dbraw/zinc/76/59/71/431765971.db2.gz BQNUOXJKPSFEIA-UHFFFAOYSA-N 0 0 314.326 3.332 50 5 DGBARN O=[N+]([O-])c1ccc(NC2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000037754787 431849431 /nfs/dbraw/zinc/84/94/31/431849431.db2.gz BWVYLSNQQUXZPT-UHFFFAOYSA-N 0 0 304.268 3.329 50 5 DGBARN O=[N+]([O-])c1ccc(NCc2cscn2)cc1OC(F)F ZINC000084350672 431823108 /nfs/dbraw/zinc/82/31/08/431823108.db2.gz UNCIDDXCBCLSFN-UHFFFAOYSA-N 0 0 301.274 3.265 50 5 DGBARN CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000048301822 431923295 /nfs/dbraw/zinc/92/32/95/431923295.db2.gz VGVRHCNKIYPYEV-UHFFFAOYSA-N 0 0 321.377 3.088 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096433633 431948783 /nfs/dbraw/zinc/94/87/83/431948783.db2.gz NSAOOZOPXLGBBQ-BETUJISGSA-N 0 0 301.346 3.333 50 5 DGBARN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](c2ccsc2)O1 ZINC000096469380 431952091 /nfs/dbraw/zinc/95/20/91/431952091.db2.gz WCIKHYPZXCCYBH-GXFFZTMASA-N 0 0 305.359 3.018 50 5 DGBARN C[C@@H]1c2cccn2CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097035369 431956850 /nfs/dbraw/zinc/95/68/50/431956850.db2.gz CWQGPMFEFBIMBO-LJTDUEICSA-N 0 0 311.341 3.013 50 5 DGBARN O=[N+]([O-])c1ccc(CNc2nnc(CC3CC3)o2)c(Cl)c1 ZINC000097085399 431960081 /nfs/dbraw/zinc/96/00/81/431960081.db2.gz XIKIRYCGCWJRKT-UHFFFAOYSA-N 0 0 308.725 3.196 50 5 DGBARN CCOC(=O)N(C)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000053583760 431964115 /nfs/dbraw/zinc/96/41/15/431964115.db2.gz FGTIOCAJDWNLMC-UHFFFAOYSA-N 0 0 316.317 3.326 50 5 DGBARN Cn1cncc1CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000097373482 431967707 /nfs/dbraw/zinc/96/77/07/431967707.db2.gz XPWTYOHHTFXVHL-UHFFFAOYSA-N 0 0 323.356 3.045 50 5 DGBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000097380040 431968577 /nfs/dbraw/zinc/96/85/77/431968577.db2.gz QRZYHXFXZITYPG-GFCCVEGCSA-N 0 0 321.377 3.291 50 5 DGBARN Cc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C(C)(C)C)nn1C ZINC000000506130 281352028 /nfs/dbraw/zinc/35/20/28/281352028.db2.gz QJKDBDDOYQHEBH-UHFFFAOYSA-N 0 0 316.361 3.187 50 5 DGBARN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000253431583 432396935 /nfs/dbraw/zinc/39/69/35/432396935.db2.gz HPSSOCINMWIBLO-VPOQAHPWSA-N 0 0 314.382 3.226 50 5 DGBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCCCN1 ZINC000253431709 432397235 /nfs/dbraw/zinc/39/72/35/432397235.db2.gz XDTFUIROUCPHHF-UHFFFAOYSA-N 0 0 309.675 3.372 50 5 DGBARN Cc1csc(-c2cc3c(nc2N)oc2ccccc2c3=O)n1 ZINC000094986163 281707707 /nfs/dbraw/zinc/70/77/07/281707707.db2.gz NTRQXNFZHPLNAQ-UHFFFAOYSA-N 0 0 309.350 3.355 50 5 DGBARN COCc1ccc([C@@H]2CCCN2c2cc(N)ccc2[N+](=O)[O-])o1 ZINC000193502211 432477315 /nfs/dbraw/zinc/47/73/15/432477315.db2.gz QYIOISYLIJZJBP-AWEZNQCLSA-N 0 0 317.345 3.258 50 5 DGBARN CN(C(=O)Cc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])nc1 ZINC000225553838 432694713 /nfs/dbraw/zinc/69/47/13/432694713.db2.gz IXHDKXTUEAIYOH-UHFFFAOYSA-N 0 0 321.336 3.349 50 5 DGBARN Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000225398820 432689411 /nfs/dbraw/zinc/68/94/11/432689411.db2.gz BXOVVQKQAUYJRQ-UHFFFAOYSA-N 0 0 312.285 3.000 50 5 DGBARN CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC000408515337 434584048 /nfs/dbraw/zinc/58/40/48/434584048.db2.gz FNUZJSGJXTVNSG-UHFFFAOYSA-N 0 0 313.288 3.492 50 5 DGBARN O=[N+]([O-])c1ccc(N[C@H](CO)Cc2ccccc2)c2ncccc12 ZINC000078411498 545747820 /nfs/dbraw/zinc/74/78/20/545747820.db2.gz KICIBFQWPIHBIY-AWEZNQCLSA-N 0 0 323.352 3.159 50 5 DGBARN CCC[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000084740743 545794082 /nfs/dbraw/zinc/79/40/82/545794082.db2.gz PKKDEXZSXICKQG-LLVKDONJSA-N 0 0 323.368 3.359 50 5 DGBARN O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1 ZINC000033303894 620666355 /nfs/dbraw/zinc/66/63/55/620666355.db2.gz OGHTZXZHIQOJCK-FLIBITNWSA-N 0 0 311.293 3.034 50 5 DGBARN CCc1nccn1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000952992388 662210824 /nfs/dbraw/zinc/21/08/24/662210824.db2.gz LRRYWYLPLOHCCH-UHFFFAOYSA-N 0 0 311.345 3.014 50 5 DGBARN CCOC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000515172 1192588034 /nfs/dbraw/zinc/58/80/34/1192588034.db2.gz XPSWBIYNXCNUEV-UHFFFAOYSA-N 0 0 301.298 3.351 50 5 DGBARN Cc1cc(-c2nn3c(nnc3C(C)C)s2)ccc1[N+](=O)[O-] ZINC000095481697 185373913 /nfs/dbraw/zinc/37/39/13/185373913.db2.gz WIYCKEHUOHZZCS-UHFFFAOYSA-N 0 0 303.347 3.193 50 5 DGBARN CSC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000095398811 185353665 /nfs/dbraw/zinc/35/36/65/185353665.db2.gz MXIUXIBXEAVCSN-AWEZNQCLSA-N 0 0 316.382 3.429 50 5 DGBARN CSC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000095398812 185353817 /nfs/dbraw/zinc/35/38/17/185353817.db2.gz MXIUXIBXEAVCSN-CQSZACIVSA-N 0 0 316.382 3.429 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C)cn1 ZINC000095416656 185358936 /nfs/dbraw/zinc/35/89/36/185358936.db2.gz MZORENXOUMAMMC-LBPRGKRZSA-N 0 0 301.346 3.158 50 5 DGBARN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000095435163 185364554 /nfs/dbraw/zinc/36/45/54/185364554.db2.gz MTAWJDSDNQPGQA-JTQLQIEISA-N 0 0 318.354 3.048 50 5 DGBARN Cc1ccc(NCc2ccnc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000095436061 185364784 /nfs/dbraw/zinc/36/47/84/185364784.db2.gz BLMMNNNORSHXJT-UHFFFAOYSA-N 0 0 309.329 3.096 50 5 DGBARN COCc1cccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000095436560 185365059 /nfs/dbraw/zinc/36/50/59/185365059.db2.gz NTLKPNNHOYZJNR-UHFFFAOYSA-N 0 0 300.314 3.018 50 5 DGBARN COCC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000095465745 185371892 /nfs/dbraw/zinc/37/18/92/185371892.db2.gz LTKRGCOQXUFDAE-LBPRGKRZSA-N 0 0 305.334 3.389 50 5 DGBARN CC(=O)c1c(C)n(-c2ccccc2[N+](=O)[O-])c(C)c1C(C)=O ZINC000095470290 185372709 /nfs/dbraw/zinc/37/27/09/185372709.db2.gz OLLVJNDRTKTLLD-UHFFFAOYSA-N 0 0 300.314 3.408 50 5 DGBARN O=C(NCc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000072331449 191125308 /nfs/dbraw/zinc/12/53/08/191125308.db2.gz LRSBAQBLXANHHD-UHFFFAOYSA-N 0 0 308.696 3.317 50 5 DGBARN Cc1ccc2c(c1)occ(C(=O)c1cccc([N+](=O)[O-])c1)c2=O ZINC000000193365 180721044 /nfs/dbraw/zinc/72/10/44/180721044.db2.gz BMMRGJQWYJUOER-UHFFFAOYSA-N 0 0 309.277 3.241 50 5 DGBARN COc1ccc(C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000000462228 180798696 /nfs/dbraw/zinc/79/86/96/180798696.db2.gz IXKIESMJNPINCK-UHFFFAOYSA-N 0 0 304.346 3.224 50 5 DGBARN COc1cc(C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000445417 180793707 /nfs/dbraw/zinc/79/37/07/180793707.db2.gz 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O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21 ZINC000017118076 275026528 /nfs/dbraw/zinc/02/65/28/275026528.db2.gz XPWBSLOEKGVSAN-AUWJEWJLSA-N 0 0 312.237 3.172 50 5 DGBARN CN1C(=O)c2ccccc2N[C@@H]1/C=C\c1ccccc1[N+](=O)[O-] ZINC000096905011 277021810 /nfs/dbraw/zinc/02/18/10/277021810.db2.gz SWJGAKVTUYIBJG-SNGWPZLWSA-N 0 0 309.325 3.132 50 5 DGBARN Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)NC(C)(C)C ZINC000001387358 279145579 /nfs/dbraw/zinc/14/55/79/279145579.db2.gz BSZCCDHMLWOJTO-UHFFFAOYSA-N 0 0 310.353 3.178 50 5 DGBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000000179897 431138293 /nfs/dbraw/zinc/13/82/93/431138293.db2.gz UGPKQUAWSIETTO-OAHLLOKOSA-N 0 0 300.339 3.373 50 5 DGBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000000179917 431139658 /nfs/dbraw/zinc/13/96/58/431139658.db2.gz JXENKSOSKYVGMF-OAHLLOKOSA-N 0 0 300.339 3.373 50 5 DGBARN Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000318267 431164448 /nfs/dbraw/zinc/16/44/48/431164448.db2.gz 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Cc1ncc([N+](=O)[O-])n1Cc1csc(-c2ccccc2)n1 ZINC000069588621 431202889 /nfs/dbraw/zinc/20/28/89/431202889.db2.gz YXKYTBMYJSIFGY-UHFFFAOYSA-N 0 0 300.343 3.272 50 5 DGBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000000612525 431204432 /nfs/dbraw/zinc/20/44/32/431204432.db2.gz YLRRASRXXNRFAQ-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN Cc1oc(-c2ccsc2)nc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000069620112 431205468 /nfs/dbraw/zinc/20/54/68/431205468.db2.gz HNJWJLVZVXYRCR-UHFFFAOYSA-N 0 0 304.331 3.173 50 5 DGBARN O=C([N-]c1c2nsnc2ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000002338906 431247373 /nfs/dbraw/zinc/24/73/73/431247373.db2.gz YNSLXOVREVUGBZ-UHFFFAOYSA-N 0 0 324.705 3.098 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])ccc1OC ZINC000002303922 431248799 /nfs/dbraw/zinc/24/87/99/431248799.db2.gz ISIJNYMGURMKOL-UHFFFAOYSA-N 0 0 304.258 3.187 50 5 DGBARN CCCCc1nc2sc3c(ncn4nnnc34)c2c2c1CCC2 ZINC000002210426 431249559 /nfs/dbraw/zinc/24/95/59/431249559.db2.gz HOESEFUJLYRJEF-UHFFFAOYSA-N 0 0 324.413 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O=C(Nc1ccc2c(c1)CCCN2)c1csc([N+](=O)[O-])c1 ZINC000071214700 431274684 /nfs/dbraw/zinc/27/46/84/431274684.db2.gz JDXRMAYVUGKFAX-UHFFFAOYSA-N 0 0 303.343 3.267 50 5 DGBARN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000006892320 431323018 /nfs/dbraw/zinc/32/30/18/431323018.db2.gz OCYDCMMWQKLACB-UHFFFAOYSA-N 0 0 316.313 3.254 50 5 DGBARN O=C(NCCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000006988787 431327883 /nfs/dbraw/zinc/32/78/83/431327883.db2.gz FRXKCNIDNKZKEL-UHFFFAOYSA-N 0 0 306.362 3.064 50 5 DGBARN Cc1ccc(-c2nonc2NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008916000 431419070 /nfs/dbraw/zinc/41/90/70/431419070.db2.gz UKGLCSKZHDILDX-UHFFFAOYSA-N 0 0 324.296 3.206 50 5 DGBARN Cc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000008075069 431378850 /nfs/dbraw/zinc/37/88/50/431378850.db2.gz FZFCFTZHTSKHOZ-UHFFFAOYSA-N 0 0 303.293 3.093 50 5 DGBARN COc1cc(OC)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 ZINC000008185954 431384933 /nfs/dbraw/zinc/38/49/33/431384933.db2.gz GGQAWYDTBBHCBI-UHFFFAOYSA-N 0 0 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C[C@H](Cc1cccs1)Nc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025574845 431660108 /nfs/dbraw/zinc/66/01/08/431660108.db2.gz ITXKAJAHGDGKKF-SECBINFHSA-N 0 0 319.390 3.064 50 5 DGBARN Cc1c(Br)c([N+](=O)[O-])nn1Cc1ccc(F)cc1 ZINC000017241996 431615602 /nfs/dbraw/zinc/61/56/02/431615602.db2.gz LVGIQBOUODRSSW-UHFFFAOYSA-N 0 0 314.114 3.050 50 5 DGBARN CC[C@H](CO)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000028915915 431714033 /nfs/dbraw/zinc/71/40/33/431714033.db2.gz MPMDIHXXVITVMI-CQSZACIVSA-N 0 0 314.341 3.009 50 5 DGBARN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000032825145 431792432 /nfs/dbraw/zinc/79/24/32/431792432.db2.gz ZNLNVMYZSQCBLH-UHFFFAOYSA-N 0 0 324.340 3.277 50 5 DGBARN CNc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000033470948 431815292 /nfs/dbraw/zinc/81/52/92/431815292.db2.gz IMWXBUFOBNDUFM-CLFYSBASSA-N 0 0 322.324 3.043 50 5 DGBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1cccs1 ZINC000031929803 431767803 /nfs/dbraw/zinc/76/78/03/431767803.db2.gz 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000097380041 431968536 /nfs/dbraw/zinc/96/85/36/431968536.db2.gz QRZYHXFXZITYPG-LBPRGKRZSA-N 0 0 321.377 3.291 50 5 DGBARN O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 ZINC000055543873 431983800 /nfs/dbraw/zinc/98/38/00/431983800.db2.gz UJGMBRBSUBTKAX-UHFFFAOYSA-N 0 0 315.348 3.056 50 5 DGBARN Cc1ccc2oc3ncc(C(=O)NC(C)(C)C)cc3c(=O)c2c1 ZINC000001390942 281183594 /nfs/dbraw/zinc/18/35/94/281183594.db2.gz FGPYQXMBOZLAFL-UHFFFAOYSA-N 0 0 310.353 3.178 50 5 DGBARN C[C@@H]1CCSCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000192353700 432362731 /nfs/dbraw/zinc/36/27/31/432362731.db2.gz YFRARNVMXUEPSQ-SECBINFHSA-N 0 0 314.794 3.216 50 5 DGBARN Cc1cc([N+](=O)[O-])cnc1SCC(=O)Nc1ccccc1 ZINC000225698912 432696543 /nfs/dbraw/zinc/69/65/43/432696543.db2.gz YSBVPHUYCQYQCM-UHFFFAOYSA-N 0 0 303.343 3.029 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(Oc2ccc(NC(=O)C3CC3)cc2)n1 ZINC000178175232 432703125 /nfs/dbraw/zinc/70/31/25/432703125.db2.gz 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O=[N+]([O-])c1ccc(Br)cc1OCC(F)(F)F ZINC000169800492 1087400394 /nfs/dbraw/zinc/40/03/94/1087400394.db2.gz GZJVLHYIEAYENK-UHFFFAOYSA-N 0 0 300.030 3.298 50 5 DGBARN O=C(Nc1cc(F)ccc1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000088403520 185248655 /nfs/dbraw/zinc/24/86/55/185248655.db2.gz SQTGNTXMGDQJOQ-UHFFFAOYSA-N 0 0 310.668 3.345 50 5 DGBARN O=[N+]([O-])c1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000003086235 190617413 /nfs/dbraw/zinc/61/74/13/190617413.db2.gz QYXZLVQATVFGJH-UHFFFAOYSA-N 0 0 318.314 3.312 50 5 DGBARN Cc1nn(C)cc1[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000095396560 185352967 /nfs/dbraw/zinc/35/29/67/185352967.db2.gz ZHLWSNRJBCFZDA-MRVPVSSYSA-N 0 0 317.374 3.420 50 5 DGBARN O=[N+]([O-])c1ccccc1N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000095406123 185355941 /nfs/dbraw/zinc/35/59/41/185355941.db2.gz SUPIJCZAAAPKOP-LBPRGKRZSA-N 0 0 314.345 3.239 50 5 DGBARN COc1cc(NCc2cc(C(C)C)no2)c(F)cc1[N+](=O)[O-] ZINC000097032681 185399247 /nfs/dbraw/zinc/39/92/47/185399247.db2.gz 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O=c1oc(-c2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 ZINC000001510885 180870917 /nfs/dbraw/zinc/87/09/17/180870917.db2.gz VRSOECWWRPQEGV-UHFFFAOYSA-N 0 0 302.673 3.417 50 5 DGBARN O=C(CCCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001779478 180895876 /nfs/dbraw/zinc/89/58/76/180895876.db2.gz IAVPJJHMUNKABT-UHFFFAOYSA-N 0 0 300.314 3.393 50 5 DGBARN O=C(Oc1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003328572 181005981 /nfs/dbraw/zinc/00/59/81/181005981.db2.gz SEHSEDBZMIKEDR-UHFFFAOYSA-N 0 0 321.672 3.196 50 5 DGBARN CSc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000003312180 181003574 /nfs/dbraw/zinc/00/35/74/181003574.db2.gz PQBHSQYITFRASP-UHFFFAOYSA-N 0 0 304.327 3.069 50 5 DGBARN CN(C)C(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000003332263 181006887 /nfs/dbraw/zinc/00/68/87/181006887.db2.gz NCCGJDAANYVSDV-UHFFFAOYSA-N 0 0 307.349 3.238 50 5 DGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccs1 ZINC000003451968 181022493 /nfs/dbraw/zinc/02/24/93/181022493.db2.gz ZWNTZYVSJGIBJY-UHFFFAOYSA-N 0 0 308.384 3.065 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CC(=O)c1ccc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000004937502 181175692 /nfs/dbraw/zinc/17/56/92/181175692.db2.gz UQOYDNQRPUUIKJ-UHFFFAOYSA-N 0 0 317.301 3.161 50 5 DGBARN Cc1onc(C(=O)Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000004937309 181175879 /nfs/dbraw/zinc/17/58/79/181175879.db2.gz WWCGFUOYNDFKIB-UHFFFAOYSA-N 0 0 315.207 3.162 50 5 DGBARN O=[N+]([O-])c1cnn(CCSc2ccnc3ccccc32)c1 ZINC000074783400 191360246 /nfs/dbraw/zinc/36/02/46/191360246.db2.gz AKASNLRHDBQNBR-UHFFFAOYSA-N 0 0 300.343 3.132 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCCO2 ZINC000004982248 181183847 /nfs/dbraw/zinc/18/38/47/181183847.db2.gz QRBFUGWCRLQBFO-UHFFFAOYSA-N 0 0 300.314 3.287 50 5 DGBARN O=c1[nH]c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000005091890 181203114 /nfs/dbraw/zinc/20/31/14/181203114.db2.gz UKUDUZYIAHQMLU-UHFFFAOYSA-N 0 0 313.338 3.124 50 5 DGBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CCCC1 ZINC000005118602 181204970 /nfs/dbraw/zinc/20/49/70/181204970.db2.gz 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Cc1sc(C(=O)Nc2n[nH]c(C3CC3)c2C)cc1[N+](=O)[O-] ZINC000064346969 184295134 /nfs/dbraw/zinc/29/51/34/184295134.db2.gz BGPZTWLUMJTHCQ-UHFFFAOYSA-N 0 0 306.347 3.126 50 5 DGBARN C[C@H](Sc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000007297230 256521008 /nfs/dbraw/zinc/52/10/08/256521008.db2.gz HXOHAFKCAYRBQS-JTQLQIEISA-N 0 0 300.343 3.491 50 5 DGBARN O=C1NC(=S)NC1=Cc1c2ccccc2cc2ccccc21 ZINC000002029379 257219410 /nfs/dbraw/zinc/21/94/10/257219410.db2.gz MPCVOKZZRKEXSD-YBEGLDIGSA-N 0 0 304.374 3.338 50 5 DGBARN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)C(C)C)cc1F ZINC000071853728 184869238 /nfs/dbraw/zinc/86/92/38/184869238.db2.gz WKKWADNFUKDGDM-UHFFFAOYSA-N 0 0 322.292 3.391 50 5 DGBARN C[C@H](COCC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000071914506 184903642 /nfs/dbraw/zinc/90/36/42/184903642.db2.gz PKSRJTCJSPGECP-ZCFIWIBFSA-N 0 0 313.663 3.023 50 5 DGBARN O=c1ccn(CCCOc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000072294834 400379023 /nfs/dbraw/zinc/37/90/23/400379023.db2.gz JPZRQQIRAPQXLJ-UHFFFAOYSA-N 0 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Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000069006 431119665 /nfs/dbraw/zinc/11/96/65/431119665.db2.gz ZEJOACDOSQXHOQ-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN CC(C)OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000083581 431122188 /nfs/dbraw/zinc/12/21/88/431122188.db2.gz JZARLZPYUIZPQB-UHFFFAOYSA-N 0 0 312.321 3.277 50 5 DGBARN CC(=O)Oc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000098478 431125218 /nfs/dbraw/zinc/12/52/18/431125218.db2.gz HGILCKQGSQIXOY-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000000097648 431125618 /nfs/dbraw/zinc/12/56/18/431125618.db2.gz IKYAEXPEOUXHEO-UHFFFAOYSA-N 0 0 321.720 3.294 50 5 DGBARN Cn1cnc([N+](=O)[O-])c1Sc1cccc(C(F)(F)F)c1 ZINC000000147684 431134851 /nfs/dbraw/zinc/13/48/51/431134851.db2.gz RNESAZOMKXNVCG-UHFFFAOYSA-N 0 0 303.265 3.498 50 5 DGBARN COc1cc(OC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000168673 431135464 /nfs/dbraw/zinc/13/54/64/431135464.db2.gz HYYFLKMQEGWBNM-UHFFFAOYSA-N 0 0 320.276 3.003 50 5 DGBARN O=[N+]([O-])c1cccnc1Sc1nccc(-c2ccco2)n1 ZINC000000172386 431139970 /nfs/dbraw/zinc/13/99/70/431139970.db2.gz RVDSSJZUNOCHGP-UHFFFAOYSA-N 0 0 300.299 3.191 50 5 DGBARN CC(=O)c1cccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000000188229 431141812 /nfs/dbraw/zinc/14/18/12/431141812.db2.gz RNHVDIFZPOGVSE-JXMROGBWSA-N 0 0 310.309 3.449 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1 ZINC000000303293 431161959 /nfs/dbraw/zinc/16/19/59/431161959.db2.gz KDGRLHBTRZLLKD-UHFFFAOYSA-N 0 0 318.354 3.334 50 5 DGBARN Cc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000000303701 431162829 /nfs/dbraw/zinc/16/28/29/431162829.db2.gz SJLXGKJNOAFKOX-UHFFFAOYSA-N 0 0 320.374 3.305 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000000358739 431171639 /nfs/dbraw/zinc/17/16/39/431171639.db2.gz LVALGRKACURVQW-UHFFFAOYSA-N 0 0 307.689 3.233 50 5 DGBARN COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(OC)c1 ZINC000000440637 431183277 /nfs/dbraw/zinc/18/32/77/431183277.db2.gz ISKPCAGKAMPPTP-UHFFFAOYSA-N 0 0 320.276 3.003 50 5 DGBARN CCc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000444226 431183778 /nfs/dbraw/zinc/18/37/78/431183778.db2.gz YSZJLXPXVFGTNK-UHFFFAOYSA-N 0 0 318.304 3.314 50 5 DGBARN COc1ccc(C)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000447753 431183995 /nfs/dbraw/zinc/18/39/95/431183995.db2.gz XDIQEWNOFXRMGO-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000000464237 431188594 /nfs/dbraw/zinc/18/85/94/431188594.db2.gz GEWRFYOGSMEPHG-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN CC1(C)C(=O)C2(CCCC2)C(=O)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000467709 431189032 /nfs/dbraw/zinc/18/90/32/431189032.db2.gz QIFOVKFCBXVTHA-ZDUSSCGKSA-N 0 0 317.341 3.348 50 5 DGBARN O=C(Nc1ccccc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000463828 431189225 /nfs/dbraw/zinc/18/92/25/431189225.db2.gz SQLZUBJHAUIIFT-UHFFFAOYSA-N 0 0 311.341 3.447 50 5 DGBARN CCN(Cc1ccoc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069558116 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Cc1c(NC(=O)Cc2noc3ccccc32)cccc1[N+](=O)[O-] ZINC000003007409 180976372 /nfs/dbraw/zinc/97/63/72/180976372.db2.gz LJNYRMJUDAMIDS-UHFFFAOYSA-N 0 0 311.297 3.226 50 5 DGBARN O=C(COc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000003315569 181003508 /nfs/dbraw/zinc/00/35/08/181003508.db2.gz OSBQTYNHXDITFS-UHFFFAOYSA-N 0 0 321.716 3.370 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccccc1 ZINC000003536845 181031204 /nfs/dbraw/zinc/03/12/04/181031204.db2.gz IMDNOSYHIUSZKB-LLVKDONJSA-N 0 0 315.329 3.043 50 5 DGBARN COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004039212 181065694 /nfs/dbraw/zinc/06/56/94/181065694.db2.gz STACQUJUFGWYOT-LLVKDONJSA-N 0 0 316.313 3.009 50 5 DGBARN COc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 ZINC000003953457 181058420 /nfs/dbraw/zinc/05/84/20/181058420.db2.gz ZXUUTPKDKOWHNZ-OAHLLOKOSA-N 0 0 304.371 3.388 50 5 DGBARN CC(=O)Oc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004014151 181061935 /nfs/dbraw/zinc/06/19/35/181061935.db2.gz 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COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(C)=O)cc1 ZINC000005142085 181208555 /nfs/dbraw/zinc/20/85/55/181208555.db2.gz ILDNNMMJWLDVQJ-UHFFFAOYSA-N 0 0 301.298 3.238 50 5 DGBARN Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000005343650 181231894 /nfs/dbraw/zinc/23/18/94/181231894.db2.gz ZZVOHQMQEZJMEQ-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN Cc1nn(Cc2coc(-c3cccs3)n2)c(C)c1[N+](=O)[O-] ZINC000005346682 181232606 /nfs/dbraw/zinc/23/26/06/181232606.db2.gz KJTAPFYDLNFKCK-UHFFFAOYSA-N 0 0 304.331 3.173 50 5 DGBARN CCCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005456946 181245659 /nfs/dbraw/zinc/24/56/59/181245659.db2.gz MRMUPNBJPQJUKW-SECBINFHSA-N 0 0 305.290 3.049 50 5 DGBARN O=[N+]([O-])c1ccc(OCC(F)(F)F)c(Br)c1 ZINC000167914941 432067752 /nfs/dbraw/zinc/06/77/52/432067752.db2.gz CYIHRGAJIPHNIM-UHFFFAOYSA-N 0 0 300.030 3.298 50 5 DGBARN C[C@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005860468 181290551 /nfs/dbraw/zinc/29/05/51/181290551.db2.gz DWBHKPRKGUWKCX-JTQLQIEISA-N 0 0 311.769 3.061 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000089780846 192865150 /nfs/dbraw/zinc/86/51/50/192865150.db2.gz RUXKWQJKYFQJDL-AWEZNQCLSA-N 0 0 315.333 3.077 50 5 DGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000006278705 181325646 /nfs/dbraw/zinc/32/56/46/181325646.db2.gz LYKGXKFXKXWPPG-UHFFFAOYSA-N 0 0 315.285 3.372 50 5 DGBARN COc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-] ZINC000006342702 181332153 /nfs/dbraw/zinc/33/21/53/181332153.db2.gz XTDQLJLVZTUGAL-UHFFFAOYSA-N 0 0 314.297 3.058 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NCc1nncn1-c1ccccc1 ZINC000091429818 193054816 /nfs/dbraw/zinc/05/48/16/193054816.db2.gz CLHNGYFIYBNNJG-UHFFFAOYSA-N 0 0 309.329 3.096 50 5 DGBARN CCc1nnc([C@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000095978776 193473363 /nfs/dbraw/zinc/47/33/63/193473363.db2.gz AQRICYNSLKEAJP-VIFPVBQESA-N 0 0 324.768 3.387 50 5 DGBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000009578119 181630259 /nfs/dbraw/zinc/63/02/59/181630259.db2.gz OLUNJGNCCLEZPR-MRXNPFEDSA-N 0 0 310.353 3.331 50 5 DGBARN Cc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000011749487 181702843 /nfs/dbraw/zinc/70/28/43/181702843.db2.gz RPDPVPBDTZLPST-UHFFFAOYSA-N 0 0 310.353 3.365 50 5 DGBARN CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1N(CC)CC ZINC000015083926 181988668 /nfs/dbraw/zinc/98/86/68/181988668.db2.gz ZGOFJOUUDXQRSO-UHFFFAOYSA-N 0 0 307.394 3.359 50 5 DGBARN Cc1c(N)c(Br)cc(Br)c1[N+](=O)[O-] ZINC000015443862 182002361 /nfs/dbraw/zinc/00/23/61/182002361.db2.gz KJLPPTNJPAJNMQ-UHFFFAOYSA-N 0 0 309.945 3.010 50 5 DGBARN O=C(NCCSC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000016214118 182036931 /nfs/dbraw/zinc/03/69/31/182036931.db2.gz JIVIGBHZEWEECE-UHFFFAOYSA-N 0 0 308.403 3.391 50 5 DGBARN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OC ZINC000016688816 182057392 /nfs/dbraw/zinc/05/73/92/182057392.db2.gz SUNOMKWLJHJVSK-VURMDHGXSA-N 0 0 304.302 3.469 50 5 DGBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000017166981 182077819 /nfs/dbraw/zinc/07/78/19/182077819.db2.gz QAKLJPOXWJHLQY-TXEJJXNPSA-N 0 0 317.389 3.287 50 5 DGBARN CC(C)(C)C(=O)Cc1nsc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000017055272 182072705 /nfs/dbraw/zinc/07/27/05/182072705.db2.gz BMOCDVUMRRBHEP-UHFFFAOYSA-N 0 0 320.374 3.348 50 5 DGBARN O=[N+]([O-])c1cnc(NCc2ccccc2)c(Br)c1 ZINC000018227795 182099331 /nfs/dbraw/zinc/09/93/31/182099331.db2.gz FIEOURCGNSYDPK-UHFFFAOYSA-N 0 0 308.135 3.364 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccnc1 ZINC000024238086 182377278 /nfs/dbraw/zinc/37/72/78/182377278.db2.gz BJMJWTOIYOUSSU-OAHLLOKOSA-N 0 0 312.329 3.359 50 5 DGBARN C[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 ZINC000024216924 182377445 /nfs/dbraw/zinc/37/74/45/182377445.db2.gz JOSUCFVZONXTQW-SECBINFHSA-N 0 0 323.349 3.085 50 5 DGBARN O=[N+]([O-])c1ncn(CC/C=C\c2ccc(Br)cc2)n1 ZINC000098010321 193774032 /nfs/dbraw/zinc/77/40/32/193774032.db2.gz GYOPPOYMQSUNGP-IWQZZHSRSA-N 0 0 323.150 3.052 50 5 DGBARN COc1ccc(CC2CN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000024832433 182392165 /nfs/dbraw/zinc/39/21/65/182392165.db2.gz HBAWZMFFNCECTL-UHFFFAOYSA-N 0 0 316.332 3.421 50 5 DGBARN COCc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000025334433 182409975 /nfs/dbraw/zinc/40/99/75/182409975.db2.gz OUYYCXNLFMEIJZ-UHFFFAOYSA-N 0 0 300.314 3.302 50 5 DGBARN O=[N+]([O-])c1ccc([C@H](O)CNc2nc3ccccc3s2)cc1 ZINC000025369137 182411134 /nfs/dbraw/zinc/41/11/34/182411134.db2.gz GRMYZRZBCUDPIS-CYBMUJFWSA-N 0 0 315.354 3.350 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCO2 ZINC000040069460 183030549 /nfs/dbraw/zinc/03/05/49/183030549.db2.gz JQWQUIGNOBWZDT-QPJJXVBHSA-N 0 0 310.309 3.182 50 5 DGBARN Cc1cc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc(C)c1Cl ZINC000040153721 183040503 /nfs/dbraw/zinc/04/05/03/183040503.db2.gz UZYXGRMTBGCTMC-UHFFFAOYSA-N 0 0 321.720 3.151 50 5 DGBARN Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000040095671 183034394 /nfs/dbraw/zinc/03/43/94/183034394.db2.gz HGCOWPPIBPBDHK-UHFFFAOYSA-N 0 0 303.293 3.364 50 5 DGBARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000040489442 183079362 /nfs/dbraw/zinc/07/93/62/183079362.db2.gz QMWBOXRBVOELFI-ZDUSSCGKSA-N 0 0 316.313 3.174 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000032904260 284669314 /nfs/dbraw/zinc/66/93/14/284669314.db2.gz YJUHIPRYLXLPAV-LBPRGKRZSA-N 0 0 304.277 3.304 50 5 DGBARN O=[N+]([O-])c1ccc(NC2CCC(O)(c3ccccc3)CC2)nc1 ZINC000273958601 211214904 /nfs/dbraw/zinc/21/49/04/211214904.db2.gz NPXKJVXWSLISTK-UHFFFAOYSA-N 0 0 313.357 3.232 50 5 DGBARN CN(Cc1cccc([N+](=O)[O-])c1)c1ncnc2sccc21 ZINC000046485545 183562958 /nfs/dbraw/zinc/56/29/58/183562958.db2.gz KBCPOZOIVQXNSC-UHFFFAOYSA-N 0 0 300.343 3.236 50 5 DGBARN C[C@H](O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000058177905 184084798 /nfs/dbraw/zinc/08/47/98/184084798.db2.gz RRULHDKUPDTWQH-VIFPVBQESA-N 0 0 304.258 3.349 50 5 DGBARN O=[N+]([O-])c1c(NCCCNc2ccccc2)nc2sccn21 ZINC000058269146 184098236 /nfs/dbraw/zinc/09/82/36/184098236.db2.gz REHIYPXIYRWFKF-UHFFFAOYSA-N 0 0 317.374 3.218 50 5 DGBARN C[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000058423307 184116306 /nfs/dbraw/zinc/11/63/06/184116306.db2.gz TWDRBPCYTJZHHQ-CYBMUJFWSA-N 0 0 315.373 3.198 50 5 DGBARN Cc1cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1 ZINC000069443525 184515329 /nfs/dbraw/zinc/51/53/29/184515329.db2.gz HCYQIMLGOSOMAR-UHFFFAOYSA-N 0 0 310.313 3.112 50 5 DGBARN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CSc2ccccc21 ZINC000118213696 194878456 /nfs/dbraw/zinc/87/84/56/194878456.db2.gz TXROUBACLYNUMX-AWEZNQCLSA-N 0 0 314.366 3.101 50 5 DGBARN O=[N+]([O-])c1cccc(-c2nc3c4ccccc4[nH]c(=S)n3n2)c1 ZINC000000424895 285152638 /nfs/dbraw/zinc/15/26/38/285152638.db2.gz BMPXIXWIOLPERD-UHFFFAOYSA-N 0 0 323.337 3.141 50 5 DGBARN O=c1c2ccccc2nc2n1CC/C2=C\c1ccc([N+](=O)[O-])cc1 ZINC000004023032 285211981 /nfs/dbraw/zinc/21/19/81/285211981.db2.gz RBNFRLBSNHVGFY-ACCUITESSA-N 0 0 319.320 3.249 50 5 biogenic DGBARN O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000102673322 285227218 /nfs/dbraw/zinc/22/72/18/285227218.db2.gz OAWXVULOCYDABD-QBFSEMIESA-N 0 0 319.320 3.249 50 5 DGBARN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000120496248 195178102 /nfs/dbraw/zinc/17/81/02/195178102.db2.gz CYAIYJAKRUAPTI-IAQYHMDHSA-N 0 0 312.329 3.215 50 5 DGBARN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 ZINC000127832965 256586707 /nfs/dbraw/zinc/58/67/07/256586707.db2.gz UUNWTQYACBAOQK-LLVKDONJSA-N 0 0 304.302 3.457 50 5 DGBARN COc1c(OC(F)F)ccc(/C=C/c2ccncn2)c1[N+](=O)[O-] ZINC000157294882 533447628 /nfs/dbraw/zinc/44/76/28/533447628.db2.gz VBQUHGADBCQDLE-DUXPYHPUSA-N 0 0 323.255 3.165 50 5 DGBARN O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000055543092 134776852 /nfs/dbraw/zinc/77/68/52/134776852.db2.gz HDKLJQNQCJBVDA-UHFFFAOYSA-N 0 0 315.348 3.056 50 5 DGBARN O=[N+]([O-])c1cccc(Br)c1NN1CCCCC1 ZINC000169725444 296510387 /nfs/dbraw/zinc/51/03/87/296510387.db2.gz UPNCYSOMAVMVGI-UHFFFAOYSA-N 0 0 300.156 3.170 50 5 DGBARN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[C@H]3c3ccccc3)nn21 ZINC000159703262 296521319 /nfs/dbraw/zinc/52/13/19/296521319.db2.gz FGMCQUJCSOESTC-UONOGXRCSA-N 0 0 323.356 3.386 50 5 DGBARN O=[N+]([O-])c1c(N[C@@H]2CCOc3ccccc32)nc2ccccn21 ZINC000070790634 400357329 /nfs/dbraw/zinc/35/73/29/400357329.db2.gz BEDJIFMXVBSWBQ-GFCCVEGCSA-N 0 0 310.313 3.178 50 5 DGBARN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000253431575 262549369 /nfs/dbraw/zinc/54/93/69/262549369.db2.gz HPSSOCINMWIBLO-ANFZBRINSA-N 0 0 314.382 3.226 50 5 DGBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 ZINC000003997473 275019277 /nfs/dbraw/zinc/01/92/77/275019277.db2.gz WJURWESBBCDFET-INIZCTEOSA-N 0 0 314.366 3.369 50 5 DGBARN CCc1nccn1[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122948175 276704818 /nfs/dbraw/zinc/70/48/18/276704818.db2.gz SKEYRWCPEYXVKY-LBPRGKRZSA-N 0 0 318.352 3.334 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1 ZINC000000037614 431114503 /nfs/dbraw/zinc/11/45/03/431114503.db2.gz DXQNMBKWJDBULV-UHFFFAOYSA-N 0 0 300.314 3.175 50 5 DGBARN O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122534 431128389 /nfs/dbraw/zinc/12/83/89/431128389.db2.gz YXGFMZDPQSGLHY-DOTOQJQBSA-N 0 0 312.325 3.075 50 5 DGBARN C[C@@H]1[C@H](C)SCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000225400345 279109195 /nfs/dbraw/zinc/10/91/95/279109195.db2.gz AXZARIMRLKMQCH-MNOVXSKESA-N 0 0 303.387 3.473 50 5 DGBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000000179880 431139447 /nfs/dbraw/zinc/13/94/47/431139447.db2.gz UPPJKWRNZWHTLR-HNNXBMFYSA-N 0 0 300.339 3.373 50 5 DGBARN Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000000193174 431142202 /nfs/dbraw/zinc/14/22/02/431142202.db2.gz ZMPAJQFBLHHVAL-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc12 ZINC000000188968 431142871 /nfs/dbraw/zinc/14/28/71/431142871.db2.gz OEAGSSGUVLEHGK-UHFFFAOYSA-N 0 0 302.673 3.417 50 5 DGBARN O=[N+]([O-])c1cc(-n2ncnc2-c2ccc(F)cc2)ccc1F ZINC000000180992 431141819 /nfs/dbraw/zinc/14/18/19/431141819.db2.gz FIFQLQQCHYRBQT-UHFFFAOYSA-N 0 0 302.240 3.121 50 5 DGBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1Cl ZINC000000340121 431169296 /nfs/dbraw/zinc/16/92/96/431169296.db2.gz VAAHCJXFGDFFQW-UHFFFAOYSA-N 0 0 316.700 3.044 50 5 DGBARN Cc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)cccc1[N+](=O)[O-] ZINC000000557405 431201301 /nfs/dbraw/zinc/20/13/01/431201301.db2.gz CJOSMKRNEIMLMJ-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000376601 431173812 /nfs/dbraw/zinc/17/38/12/431173812.db2.gz POCJMMSJBXZOKD-VXGBXAGGSA-N 0 0 314.407 3.183 50 5 DGBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(O)cc1 ZINC000000424070 431180294 /nfs/dbraw/zinc/18/02/94/431180294.db2.gz YCGVCJMRGQLVJR-HNNXBMFYSA-N 0 0 316.338 3.079 50 5 DGBARN CC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000436599 431182514 /nfs/dbraw/zinc/18/25/14/431182514.db2.gz PYGUADVPRLXIBJ-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000436592 431182834 /nfs/dbraw/zinc/18/28/34/431182834.db2.gz SWPYJOOVJRRNBY-UHFFFAOYSA-N 0 0 314.297 3.081 50 5 DGBARN COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000447712 431183017 /nfs/dbraw/zinc/18/30/17/431183017.db2.gz GZNHVEISXAKMGE-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN O=C(C=Cc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccccc1 ZINC000000436937 431184245 /nfs/dbraw/zinc/18/42/45/431184245.db2.gz KXWFEIFDFQEWGI-MDZDMXLPSA-N 0 0 311.293 3.034 50 5 DGBARN CCOc1cc(C=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000000457750 431185920 /nfs/dbraw/zinc/18/59/20/431185920.db2.gz ANROAHNVADLJOO-UHFFFAOYSA-N 0 0 301.298 3.385 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1F ZINC000000460727 431189319 /nfs/dbraw/zinc/18/93/19/431189319.db2.gz ZABGQTSNYLKXBX-LLVKDONJSA-N 0 0 318.304 3.448 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000069455419 431190676 /nfs/dbraw/zinc/19/06/76/431190676.db2.gz BFGRFGQIZJYQDP-CQSZACIVSA-N 0 0 314.341 3.425 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21 ZINC000000215080 431147284 /nfs/dbraw/zinc/14/72/84/431147284.db2.gz HTCDWZLLMQDLJI-UHFFFAOYSA-N 0 0 302.717 3.451 50 5 DGBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000000272279 431159062 /nfs/dbraw/zinc/15/90/62/431159062.db2.gz OAEWODJOQXHPGS-UHFFFAOYSA-N 0 0 312.734 3.049 50 5 DGBARN CCOc1ccc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000000859615 431210535 /nfs/dbraw/zinc/21/05/35/431210535.db2.gz PURYWZMKFIHOJI-UHFFFAOYSA-N 0 0 304.277 3.385 50 5 DGBARN Cc1ncc([N+](=O)[O-])n1Cc1csc(Cc2ccccc2)n1 ZINC000069697058 431211727 /nfs/dbraw/zinc/21/17/27/431211727.db2.gz BFLAEFYRXHRTRD-UHFFFAOYSA-N 0 0 314.370 3.195 50 5 DGBARN CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001227518 431216943 /nfs/dbraw/zinc/21/69/43/431216943.db2.gz PDOMVFAITLCDGS-UHFFFAOYSA-N 0 0 300.314 3.175 50 5 DGBARN CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000003187360 431287140 /nfs/dbraw/zinc/28/71/40/431287140.db2.gz GYCQTCCHIKHRMZ-UHFFFAOYSA-N 0 0 314.341 3.335 50 5 DGBARN Cc1cnccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000071885876 431306901 /nfs/dbraw/zinc/30/69/01/431306901.db2.gz LLBRMRYRKSXSEM-LLVKDONJSA-N 0 0 317.370 3.418 50 5 DGBARN COc1ccc(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000005109358 431307641 /nfs/dbraw/zinc/30/76/41/431307641.db2.gz QUZQAMDDXZVHLA-LLVKDONJSA-N 0 0 301.298 3.254 50 5 DGBARN CC(C)=CCSc1nnc2nc3[nH]c4ccccc4c3nn21 ZINC000005817059 431313129 /nfs/dbraw/zinc/31/31/29/431313129.db2.gz GOGXXRZFIGGLRC-UHFFFAOYSA-N 0 0 310.386 3.212 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccsc1 ZINC000007926969 431371153 /nfs/dbraw/zinc/37/11/53/431371153.db2.gz KGUXTNLXKDFRDN-UHFFFAOYSA-N 0 0 319.386 3.035 50 5 DGBARN Cc1ccc(O[C@H](C(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007181342 431335595 /nfs/dbraw/zinc/33/55/95/431335595.db2.gz OCDQGSBGSVXHMG-INIZCTEOSA-N 0 0 314.341 3.112 50 5 DGBARN C[C@H]1CCCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC000004995348 279672346 /nfs/dbraw/zinc/67/23/46/279672346.db2.gz JAERIEOOKGXMLO-JTQLQIEISA-N 0 0 316.317 3.288 50 5 DGBARN Cc1cc(O[C@@H](C(=O)N(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000007419273 431347173 /nfs/dbraw/zinc/34/71/73/431347173.db2.gz TYHOZORJMMZNOD-MRXNPFEDSA-N 0 0 314.341 3.112 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000007827975 431363676 /nfs/dbraw/zinc/36/36/76/431363676.db2.gz RUFHQOSVGQAERV-GFCCVEGCSA-N 0 0 324.377 3.016 50 5 DGBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000008054711 431377234 /nfs/dbraw/zinc/37/72/34/431377234.db2.gz CMOLYHYQFBHNDJ-UHFFFAOYSA-N 0 0 317.257 3.018 50 5 DGBARN C[C@@H](CCc1ccco1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000008338171 431392669 /nfs/dbraw/zinc/39/26/69/431392669.db2.gz HLACUBHXUZWGKX-VIFPVBQESA-N 0 0 306.347 3.330 50 5 DGBARN COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1 ZINC000008751882 431411899 /nfs/dbraw/zinc/41/18/99/431411899.db2.gz KWNULIUHBOYSTQ-UHFFFAOYSA-N 0 0 300.314 3.473 50 5 DGBARN O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCCCCC1 ZINC000011557933 431476415 /nfs/dbraw/zinc/47/64/15/431476415.db2.gz KNFQDAJPDBDXAY-UHFFFAOYSA-N 0 0 305.378 3.236 50 5 DGBARN Cc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000011750025 431481473 /nfs/dbraw/zinc/48/14/73/431481473.db2.gz BAGXVQVWZJFPDS-UHFFFAOYSA-N 0 0 310.353 3.365 50 5 DGBARN Cc1nc(C)c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000076068914 431522147 /nfs/dbraw/zinc/52/21/47/431522147.db2.gz AIJGVFLKZKKOQS-UHFFFAOYSA-N 0 0 320.374 3.298 50 5 DGBARN Cc1csc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000012635124 431522177 /nfs/dbraw/zinc/52/21/77/431522177.db2.gz GNRATKNILMKIAK-UHFFFAOYSA-N 0 0 318.358 3.186 50 5 DGBARN CCn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)C(C)(C)C ZINC000012180868 431492632 /nfs/dbraw/zinc/49/26/32/431492632.db2.gz IFZMHVIZFJVAKS-FYWRMAATSA-N 0 0 307.375 3.104 50 5 DGBARN O=C(NCc1cccnc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000012534273 431512934 /nfs/dbraw/zinc/51/29/34/431512934.db2.gz MTHSLMVMMSCSAD-UHFFFAOYSA-N 0 0 313.338 3.135 50 5 DGBARN Cc1ccc(-c2nn3c([nH]c2=O)c2ccccc2nc3=S)cc1 ZINC000012536957 431513870 /nfs/dbraw/zinc/51/38/70/431513870.db2.gz BWAGNTSFXQVSMK-UHFFFAOYSA-N 0 0 320.377 3.276 50 5 DGBARN Cc1ccc(C2=N/C(=C\c3cccs3)C(=O)O2)cc1[N+](=O)[O-] ZINC000013463814 431556750 /nfs/dbraw/zinc/55/67/50/431556750.db2.gz DZIUWPNFJXTLMS-WQLSENKSSA-N 0 0 314.322 3.309 50 5 DGBARN Cc1c(NC(=O)CN(C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000012915316 431535399 /nfs/dbraw/zinc/53/53/99/431535399.db2.gz MKBRECQJAGBPKF-UHFFFAOYSA-N 0 0 319.386 3.035 50 5 DGBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOc2ccccc21 ZINC000036763961 280184177 /nfs/dbraw/zinc/18/41/77/280184177.db2.gz RBNSRAIWYCGDGV-UHFFFAOYSA-N 0 0 318.716 3.287 50 5 DGBARN O=[N+]([O-])c1c(Br)cccc1N1CCC(F)(F)C1 ZINC000169725363 280353101 /nfs/dbraw/zinc/35/31/01/280353101.db2.gz NFHVTUHIFPOQRT-UHFFFAOYSA-N 0 0 307.094 3.203 50 5 DGBARN Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000031207533 431756588 /nfs/dbraw/zinc/75/65/88/431756588.db2.gz OLPHFGQVCBSCBO-UHFFFAOYSA-N 0 0 322.324 3.341 50 5 DGBARN O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000031547898 431761970 /nfs/dbraw/zinc/76/19/70/431761970.db2.gz UQIKYTLWEMBGQT-UHFFFAOYSA-N 0 0 322.267 3.281 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1SCSCS1 ZINC000004392053 280662394 /nfs/dbraw/zinc/66/23/94/280662394.db2.gz BRVHLLJPKSEPNY-UHFFFAOYSA-N 0 0 316.429 3.296 50 5 DGBARN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nccn1C1CC1 ZINC000029412109 431721446 /nfs/dbraw/zinc/72/14/46/431721446.db2.gz QYMGMDIMMNDVSR-UHFFFAOYSA-N 0 0 319.342 3.064 50 5 DGBARN O=C(NC1CCC(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])o1 ZINC000032754750 431791031 /nfs/dbraw/zinc/79/10/31/431791031.db2.gz PKIKXGPNLSIYAM-UHFFFAOYSA-N 0 0 306.240 3.039 50 5 DGBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)o1 ZINC000004174150 280720379 /nfs/dbraw/zinc/72/03/79/280720379.db2.gz 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Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@H]1CCCCO1 ZINC000162954687 432838523 /nfs/dbraw/zinc/83/85/23/432838523.db2.gz WPZGXEZMIYTJFM-CQSZACIVSA-N 0 0 321.377 3.374 50 5 DGBARN CC1=CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000280811070 433184040 /nfs/dbraw/zinc/18/40/40/433184040.db2.gz UGOCUOUIZPZYGY-UHFFFAOYSA-N 0 0 314.263 3.406 50 5 DGBARN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(F)(F)C(F)F ZINC000283574474 433747162 /nfs/dbraw/zinc/74/71/62/433747162.db2.gz JYKPYHDHXNTSFR-UHFFFAOYSA-N 0 0 323.246 3.234 50 5 DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@H]1O2 ZINC000005732869 295032293 /nfs/dbraw/zinc/03/22/93/295032293.db2.gz UTSVPXMQSFGQTM-CVJBHZAOSA-N 0 0 324.288 3.006 50 5 endogenous,in-man DGBARN COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006832202 295375198 /nfs/dbraw/zinc/37/51/98/295375198.db2.gz CTZVRBCVNIAANR-NSHDSACASA-N 0 0 315.329 3.043 50 5 DGBARN Cc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000390834073 323667827 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O=C(c1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccn2)CCCCC1=O ZINC000000167386 431137088 /nfs/dbraw/zinc/13/70/88/431137088.db2.gz RPCBIMQOUODXBX-SFHVURJKSA-N 0 0 324.336 3.254 50 5 DGBARN C[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000000175161 431139558 /nfs/dbraw/zinc/13/95/58/431139558.db2.gz QDNLXTJCVIGZLH-SECBINFHSA-N 0 0 317.370 3.428 50 5 DGBARN CCOc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000183902 431142429 /nfs/dbraw/zinc/14/24/29/431142429.db2.gz OSPXHUBMOLDZBH-UHFFFAOYSA-N 0 0 300.314 3.175 50 5 DGBARN COc1ccc(C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000183986 431142637 /nfs/dbraw/zinc/14/26/37/431142637.db2.gz NMZVFWLHVOSBMR-UHFFFAOYSA-N 0 0 300.314 3.093 50 5 DGBARN COc1ccc(Cl)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000183891 431142727 /nfs/dbraw/zinc/14/27/27/431142727.db2.gz BJCTZIBTAXHRBG-UHFFFAOYSA-N 0 0 320.732 3.438 50 5 DGBARN O=C(COc1ccc(Cl)cc1)Oc1cccc([N+](=O)[O-])c1 ZINC000000358487 431170299 /nfs/dbraw/zinc/17/02/99/431170299.db2.gz NENJUXQKUYPDKI-UHFFFAOYSA-N 0 0 307.689 3.233 50 5 DGBARN Cc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1[N+](=O)[O-] ZINC000000463768 431188032 /nfs/dbraw/zinc/18/80/32/431188032.db2.gz VDGMSTATSAGKGK-UHFFFAOYSA-N 0 0 306.347 3.130 50 5 DGBARN C[C@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000460824 431189604 /nfs/dbraw/zinc/18/96/04/431189604.db2.gz ZAONBTNPYQACPN-JTQLQIEISA-N 0 0 304.277 3.140 50 5 DGBARN O=C(c1ccc(Oc2ncccc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000069454545 431190086 /nfs/dbraw/zinc/19/00/86/431190086.db2.gz VRWGOUHUHVQLMT-UHFFFAOYSA-N 0 0 313.313 3.018 50 5 DGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cn1 ZINC000000226827 431146711 /nfs/dbraw/zinc/14/67/11/431146711.db2.gz PKZVGSJRDUKRCM-FPYGCLRLSA-N 0 0 303.705 3.295 50 5 DGBARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000282262 431159587 /nfs/dbraw/zinc/15/95/87/431159587.db2.gz GUJHJUOAEOBGFN-KRWDZBQOSA-N 0 0 309.325 3.292 50 5 DGBARN COc1cccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])c1OC ZINC000000276189 431160838 /nfs/dbraw/zinc/16/08/38/431160838.db2.gz WNLXHAIVUGPIHK-INIZCTEOSA-N 0 0 313.309 3.455 50 5 DGBARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000613568 431204695 /nfs/dbraw/zinc/20/46/95/431204695.db2.gz MFUHDDMCSUSJSX-AWEZNQCLSA-N 0 0 315.354 3.354 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002030679 431242333 /nfs/dbraw/zinc/24/23/33/431242333.db2.gz UBGSLUGBOMGGKK-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN CC(C)(C)c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000002332459 431246993 /nfs/dbraw/zinc/24/69/93/431246993.db2.gz ZTGSTWMDLYDNQN-UHFFFAOYSA-N 0 0 303.347 3.059 50 5 DGBARN O=C(NCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000002983116 431278632 /nfs/dbraw/zinc/27/86/32/431278632.db2.gz VXSSQPUQAZOYHG-UHFFFAOYSA-N 0 0 302.355 3.117 50 5 DGBARN CC(C)CCC[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002988763 431278665 /nfs/dbraw/zinc/27/86/65/431278665.db2.gz BPEIMMVFWIGKAF-LBPRGKRZSA-N 0 0 314.407 3.088 50 5 DGBARN CC(=O)c1cccc(NCC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000003261700 431291198 /nfs/dbraw/zinc/29/11/98/431291198.db2.gz CFSIUCUAKXALAO-UHFFFAOYSA-N 0 0 312.325 3.401 50 5 DGBARN COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1[O-] ZINC000004988765 431303877 /nfs/dbraw/zinc/30/38/77/431303877.db2.gz JSPMAJLMBMBAHE-KGLIPLIRSA-N 0 0 320.389 3.464 50 5 DGBARN CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000006022836 431314350 /nfs/dbraw/zinc/31/43/50/431314350.db2.gz USQLTEKACFGBOW-UHFFFAOYSA-N 0 0 305.378 3.113 50 5 DGBARN Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC000002663921 431264291 /nfs/dbraw/zinc/26/42/91/431264291.db2.gz PLJATTQZKWQYMA-UHFFFAOYSA-N 0 0 323.352 3.357 50 5 DGBARN CC(=O)c1cccc(NC(=O)C=Cc2ccc([N+](=O)[O-])o2)c1 ZINC000002751958 431267435 /nfs/dbraw/zinc/26/74/35/431267435.db2.gz XRJIHZYUABFMFG-FNORWQNLSA-N 0 0 300.270 3.042 50 5 DGBARN CC1CCN(c2ccc(C(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC000006623536 431318439 /nfs/dbraw/zinc/31/84/39/431318439.db2.gz CGJPYYKQHHLGTG-UHFFFAOYSA-N 0 0 319.405 3.359 50 5 DGBARN Cc1csc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000008776489 431415686 /nfs/dbraw/zinc/41/56/86/431415686.db2.gz QTRVKOAGKQGOQK-VIFPVBQESA-N 0 0 323.399 3.479 50 5 DGBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC000007982346 431375160 /nfs/dbraw/zinc/37/51/60/431375160.db2.gz YDLPQMXSZCTXGS-SECBINFHSA-N 0 0 305.721 3.134 50 5 DGBARN CN(Cc1ccc(F)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000008319246 431393367 /nfs/dbraw/zinc/39/33/67/431393367.db2.gz PUJGXORPZMIUMF-UHFFFAOYSA-N 0 0 306.322 3.080 50 5 DGBARN Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000008389891 431397557 /nfs/dbraw/zinc/39/75/57/431397557.db2.gz XZYBKJJLBZKVQG-UHFFFAOYSA-N 0 0 305.311 3.004 50 5 DGBARN CC[C@@H](C(=O)Nc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000075128273 431453999 /nfs/dbraw/zinc/45/39/99/431453999.db2.gz NCDSWDMQDJBNAK-LLVKDONJSA-N 0 0 321.308 3.471 50 5 DGBARN CCn1nc(C)c(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000076068908 431519783 /nfs/dbraw/zinc/51/97/83/431519783.db2.gz DTVPVMOALYLPCV-UHFFFAOYSA-N 0 0 317.349 3.380 50 5 DGBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000012925191 431538641 /nfs/dbraw/zinc/53/86/41/431538641.db2.gz DWLBMTXOTBDLAD-SECBINFHSA-N 0 0 306.268 3.364 50 5 DGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1cccc[n+]1[O-] ZINC000002148819 280357040 /nfs/dbraw/zinc/35/70/40/280357040.db2.gz IJUWDIXJKDTFPB-UHFFFAOYSA-N 0 0 316.260 3.398 50 5 DGBARN Cc1nn(C)c2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc12 ZINC000014206853 431584650 /nfs/dbraw/zinc/58/46/50/431584650.db2.gz UTSNQWNUSWMAOL-UHFFFAOYSA-N 0 0 316.342 3.104 50 5 DGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)c2ccccc12 ZINC000025253847 431652393 /nfs/dbraw/zinc/65/23/93/431652393.db2.gz UESNOPODGHEJBV-UHFFFAOYSA-N 0 0 323.352 3.359 50 5 DGBARN CC(C)CNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000017127628 431615752 /nfs/dbraw/zinc/61/57/52/431615752.db2.gz 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O=C(c1ccc2ccccc2n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000048332296 431923739 /nfs/dbraw/zinc/92/37/39/431923739.db2.gz SBECZDMHSXYZBD-UHFFFAOYSA-N 0 0 319.320 3.346 50 5 DGBARN O=C(NCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000045170991 431882258 /nfs/dbraw/zinc/88/22/58/431882258.db2.gz KUMRECZWEOAMDL-UHFFFAOYSA-N 0 0 308.696 3.317 50 5 DGBARN O=C1N[C@H](c2csc([N+](=O)[O-])c2)Nc2cc(Cl)ccc21 ZINC000048619431 431929273 /nfs/dbraw/zinc/92/92/73/431929273.db2.gz MVOMIQXLYQUAGO-LLVKDONJSA-N 0 0 309.734 3.164 50 5 DGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(Cl)n1C ZINC000096404456 431945327 /nfs/dbraw/zinc/94/53/27/431945327.db2.gz KWPISLLTUDWODA-SNVBAGLBSA-N 0 0 308.769 3.175 50 5 DGBARN O=[N+]([O-])c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000100012418 431980656 /nfs/dbraw/zinc/98/06/56/431980656.db2.gz BODVHYWDNZZHID-UHFFFAOYSA-N 0 0 304.218 3.155 50 5 DGBARN CC(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000054125381 431967316 /nfs/dbraw/zinc/96/73/16/431967316.db2.gz QEJDUKZAWJLAQP-UHFFFAOYSA-N 0 0 311.341 3.116 50 5 DGBARN O=[N+]([O-])c1cccc(CNc2nnc(-c3cccs3)o2)c1 ZINC000097375464 431969014 /nfs/dbraw/zinc/96/90/14/431969014.db2.gz SVGUAENQXPIRJJ-UHFFFAOYSA-N 0 0 302.315 3.318 50 5 DGBARN CC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)C[C@H](C)CC2 ZINC000100635344 431982669 /nfs/dbraw/zinc/98/26/69/431982669.db2.gz BVMTXCBOKLIHDI-SNVBAGLBSA-N 0 0 322.364 3.424 50 5 biogenic DGBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1c([N+](=O)[O-])ncn1C ZINC000058420054 431996309 /nfs/dbraw/zinc/99/63/09/431996309.db2.gz FUKPGMIERLAUKI-NSHDSACASA-N 0 0 304.350 3.355 50 5 DGBARN COc1cccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c1 ZINC000102858392 431999183 /nfs/dbraw/zinc/99/91/83/431999183.db2.gz HXCLHWHUFDVIHX-SAPNQHFASA-N 0 0 312.281 3.288 50 5 DGBARN Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000000359907 282072390 /nfs/dbraw/zinc/07/23/90/282072390.db2.gz CAPGDMLTAQKIHX-UHFFFAOYSA-N 0 0 315.716 3.256 50 5 DGBARN Cc1ccc(CNCc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000277660198 432867678 /nfs/dbraw/zinc/86/76/78/432867678.db2.gz GRPLYEPRTKSFRZ-UHFFFAOYSA-N 0 0 311.385 3.467 50 5 DGBARN CC(C)c1ccoc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000285545921 433989763 /nfs/dbraw/zinc/98/97/63/433989763.db2.gz IFBRQECMZLWDNH-UHFFFAOYSA-N 0 0 302.330 3.284 50 5 DGBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2cccc(F)c21 ZINC000390835728 434370276 /nfs/dbraw/zinc/37/02/76/434370276.db2.gz WIAPHNVZOMTFOW-UHFFFAOYSA-N 0 0 304.252 3.076 50 5 DGBARN NC(=O)c1ccc(N2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000007981797 295181428 /nfs/dbraw/zinc/18/14/28/295181428.db2.gz UFWHPCFYMBMJGZ-GFCCVEGCSA-N 0 0 317.370 3.097 50 5 DGBARN C[C@H]1CCSCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000192353705 300027024 /nfs/dbraw/zinc/02/70/24/300027024.db2.gz YFRARNVMXUEPSQ-VIFPVBQESA-N 0 0 314.794 3.216 50 5 DGBARN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000252499827 302039862 /nfs/dbraw/zinc/03/98/62/302039862.db2.gz SFTACHWTMPAPNM-UHFFFAOYSA-N 0 0 314.276 3.171 50 5 DGBARN CC(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000072986946 323210111 /nfs/dbraw/zinc/21/01/11/323210111.db2.gz WSGIJNTYOGGDIJ-NSHDSACASA-N 0 0 312.325 3.288 50 5 DGBARN Cc1c(Br)c([N+](=O)[O-])nn1Cc1cccc(F)c1 ZINC000017242001 331573578 /nfs/dbraw/zinc/57/35/78/331573578.db2.gz HMXVDZYUWOPUFC-UHFFFAOYSA-N 0 0 314.114 3.050 50 5 DGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCC2 ZINC000033744796 620749251 /nfs/dbraw/zinc/74/92/51/620749251.db2.gz FEOHPBIOZGBUQP-FPLPWBNLSA-N 0 0 315.354 3.192 50 5 DGBARN CSC[C@@H](C)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000863947770 621721046 /nfs/dbraw/zinc/72/10/46/621721046.db2.gz GGYQLUXUXDXKBV-SECBINFHSA-N 0 0 305.359 3.081 50 5 DGBARN Cc1cc(N2CCC[C@@H](c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000952994133 662210973 /nfs/dbraw/zinc/21/09/73/662210973.db2.gz MHGOFBWPJRARMF-CQSZACIVSA-N 0 0 312.373 3.467 50 5 DGBARN COCCOc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000095494767 185373902 /nfs/dbraw/zinc/37/39/02/185373902.db2.gz TWNFDVCXFBHEQF-UHFFFAOYSA-N 0 0 310.531 3.036 50 5 DGBARN COc1cc(C(=O)Oc2ccccc2C(C)=O)ccc1[N+](=O)[O-] ZINC000095802900 185384082 /nfs/dbraw/zinc/38/40/82/185384082.db2.gz GENZJPOSABKOLJ-UHFFFAOYSA-N 0 0 315.281 3.025 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cccn1C ZINC000079355360 185166656 /nfs/dbraw/zinc/16/66/56/185166656.db2.gz YTTKDOJFCIMNIG-INIZCTEOSA-N 0 0 313.357 3.219 50 5 DGBARN CCc1nc(CNc2cc(OC)c([N+](=O)[O-])cc2F)cs1 ZINC000097104614 185410278 /nfs/dbraw/zinc/41/02/78/185410278.db2.gz XWMYUJZEDNZISH-UHFFFAOYSA-N 0 0 311.338 3.374 50 5 DGBARN CCOc1cccc(N2CCO[C@@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000097140758 185414440 /nfs/dbraw/zinc/41/44/40/185414440.db2.gz XOXVZECGYAMLRE-OAHLLOKOSA-N 0 0 318.329 3.164 50 5 DGBARN Cc1ccc(-c2nc(Cn3nc(C)c([N+](=O)[O-])c3C)cs2)o1 ZINC000032315763 190658620 /nfs/dbraw/zinc/65/86/20/190658620.db2.gz JYNYUWCWWOMLMJ-UHFFFAOYSA-N 0 0 318.358 3.481 50 5 DGBARN Cc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000170605964 197787992 /nfs/dbraw/zinc/78/79/92/197787992.db2.gz KLIIHIUXGXWSEA-JTQLQIEISA-N 0 0 319.748 3.443 50 5 DGBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000072281730 191103315 /nfs/dbraw/zinc/10/33/15/191103315.db2.gz CTZSOHZGFOWVRS-UHFFFAOYSA-N 0 0 311.297 3.337 50 5 DGBARN O=[N+]([O-])c1cc2c(cc1CNc1ccc3c(c1)CCC3)OCO2 ZINC000000280320 180746589 /nfs/dbraw/zinc/74/65/89/180746589.db2.gz LMIVQCASWBKUKJ-UHFFFAOYSA-N 0 0 312.325 3.424 50 5 DGBARN CCN(Cc1ccccc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000284729 180747526 /nfs/dbraw/zinc/74/75/26/180747526.db2.gz AWNIISRLZDQMFG-UHFFFAOYSA-N 0 0 314.341 3.266 50 5 DGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1ccc(F)cc1 ZINC000000318417 180758613 /nfs/dbraw/zinc/75/86/13/180758613.db2.gz IXSYHUXKCSQCHL-RMKNXTFCSA-N 0 0 314.316 3.106 50 5 DGBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(O)cc1 ZINC000000423815 180785073 /nfs/dbraw/zinc/78/50/73/180785073.db2.gz PXSNAKLGEOSNHV-OAHLLOKOSA-N 0 0 316.338 3.079 50 5 DGBARN CCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000000444455 180793249 /nfs/dbraw/zinc/79/32/49/180793249.db2.gz QLOWHNDLUBXAMO-UHFFFAOYSA-N 0 0 317.301 3.179 50 5 DGBARN O=C(Nc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000000557797 180820753 /nfs/dbraw/zinc/82/07/53/180820753.db2.gz FSBPJQOASKNIGG-UHFFFAOYSA-N 0 0 308.240 3.449 50 5 DGBARN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000002563900 180935970 /nfs/dbraw/zinc/93/59/70/180935970.db2.gz XPOFZYJUWZHERT-CQSZACIVSA-N 0 0 322.361 3.373 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000003340008 181008182 /nfs/dbraw/zinc/00/81/82/181008182.db2.gz DIRZNXBIRNGCOR-UHFFFAOYSA-N 0 0 323.251 3.458 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000003523606 181029906 /nfs/dbraw/zinc/02/99/06/181029906.db2.gz MQVHNCCMPYINIB-UHFFFAOYSA-N 0 0 312.325 3.101 50 5 DGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC000003551644 181033578 /nfs/dbraw/zinc/03/35/78/181033578.db2.gz BCQASAOKRSJYRE-JXMROGBWSA-N 0 0 300.289 3.064 50 5 DGBARN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000003581246 181036912 /nfs/dbraw/zinc/03/69/12/181036912.db2.gz FFJQUMSWYLQNOS-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003877460 181051321 /nfs/dbraw/zinc/05/13/21/181051321.db2.gz UWAKENCORRGANN-UHFFFAOYSA-N 0 0 301.258 3.449 50 5 DGBARN Nc1nc(Cl)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000003893265 181053175 /nfs/dbraw/zinc/05/31/75/181053175.db2.gz KMMBLFDYYOVSLI-UHFFFAOYSA-N 0 0 300.105 3.017 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1 ZINC000004052472 181067245 /nfs/dbraw/zinc/06/72/45/181067245.db2.gz ONRIERHYABOYFI-UHFFFAOYSA-N 0 0 315.354 3.030 50 5 DGBARN CC(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004114009 181075489 /nfs/dbraw/zinc/07/54/89/181075489.db2.gz AJZOEAHRZVWSLT-UHFFFAOYSA-N 0 0 301.258 3.128 50 5 DGBARN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000004181870 181082782 /nfs/dbraw/zinc/08/27/82/181082782.db2.gz UZZNUJDTQSNOCN-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCC1 ZINC000004542793 181122404 /nfs/dbraw/zinc/12/24/04/181122404.db2.gz XYLUTSANKCVOES-VQHVLOKHSA-N 0 0 312.325 3.490 50 5 DGBARN Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004689083 181137109 /nfs/dbraw/zinc/13/71/09/181137109.db2.gz NTXAUCTXNXLUFE-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000004689069 181137178 /nfs/dbraw/zinc/13/71/78/181137178.db2.gz QASWOLGBQPWCQJ-UHFFFAOYSA-N 0 0 306.705 3.266 50 5 DGBARN CC[C@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)n1nc(C)cc1C ZINC000004750405 181148554 /nfs/dbraw/zinc/14/85/54/181148554.db2.gz TZPVEFKKEXTLOQ-HNNXBMFYSA-N 0 0 317.345 3.214 50 5 DGBARN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000004905299 181170755 /nfs/dbraw/zinc/17/07/55/181170755.db2.gz DMKYSRNUHFEHKW-UONOGXRCSA-N 0 0 312.325 3.346 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000004978648 181183388 /nfs/dbraw/zinc/18/33/88/181183388.db2.gz QNBFTBSFUBCUDL-UHFFFAOYSA-N 0 0 324.402 3.072 50 5 DGBARN CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1 ZINC000005069329 181200515 /nfs/dbraw/zinc/20/05/15/181200515.db2.gz MMEAAGMPOGFWFX-UHFFFAOYSA-N 0 0 305.378 3.479 50 5 DGBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000005061071 181199359 /nfs/dbraw/zinc/19/93/59/181199359.db2.gz JQIDSKUJPRWVCX-XFFZJAGNSA-N 0 0 318.672 3.186 50 5 DGBARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005866326 181290961 /nfs/dbraw/zinc/29/09/61/181290961.db2.gz OJKGHGVTFXTJPM-GFCCVEGCSA-N 0 0 300.314 3.309 50 5 DGBARN COC[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189798677 200453240 /nfs/dbraw/zinc/45/32/40/200453240.db2.gz AISCILCWIZWEDA-ZDUSSCGKSA-N 0 0 320.389 3.217 50 5 DGBARN O=C(CNc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006602334 181359946 /nfs/dbraw/zinc/35/99/46/181359946.db2.gz IBCFAAUQACQYNT-UHFFFAOYSA-N 0 0 305.721 3.299 50 5 DGBARN CSCc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000275470207 212354312 /nfs/dbraw/zinc/35/43/12/212354312.db2.gz NUMFQGRAHZUMSS-UHFFFAOYSA-N 0 0 306.391 3.112 50 5 DGBARN C[C@@H](Cn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000252510423 202862236 /nfs/dbraw/zinc/86/22/36/202862236.db2.gz ZKALJRXAKTWMDK-QMMMGPOBSA-N 0 0 300.240 3.009 50 5 DGBARN COc1ccc(C)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000008328648 181549284 /nfs/dbraw/zinc/54/92/84/181549284.db2.gz STLIKJKSPLWXBA-QPJJXVBHSA-N 0 0 302.286 3.157 50 5 DGBARN CCC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC000009114185 181602283 /nfs/dbraw/zinc/60/22/83/181602283.db2.gz MQAYTGQPPNSYES-ZDUSSCGKSA-N 0 0 319.317 3.077 50 5 DGBARN COc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000015472077 182003928 /nfs/dbraw/zinc/00/39/28/182003928.db2.gz RXHSLMVSRLMHOD-GFCCVEGCSA-N 0 0 314.341 3.023 50 5 DGBARN Cc1ccc(C(=O)NCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000018214325 182098920 /nfs/dbraw/zinc/09/89/20/182098920.db2.gz BNHIUHMXKXYKAV-UHFFFAOYSA-N 0 0 316.382 3.425 50 5 DGBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NC[C@H](C)O ZINC000019530858 182129693 /nfs/dbraw/zinc/12/96/93/182129693.db2.gz BJMUAUKEMDQALQ-LBPRGKRZSA-N 0 0 324.380 3.357 50 5 DGBARN CC(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020460810 182221044 /nfs/dbraw/zinc/22/10/44/182221044.db2.gz VNCVFFWHSJCTIO-UHFFFAOYSA-N 0 0 314.341 3.312 50 5 DGBARN Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000022050672 182306285 /nfs/dbraw/zinc/30/62/85/182306285.db2.gz VGYAZIWXVIXGOD-MGPQQGTHSA-N 0 0 320.389 3.223 50 5 DGBARN C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022744279 182332650 /nfs/dbraw/zinc/33/26/50/182332650.db2.gz MDKZTTDTPDAVTA-JTQLQIEISA-N 0 0 304.277 3.140 50 5 DGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccnc1 ZINC000024975830 182397239 /nfs/dbraw/zinc/39/72/39/182397239.db2.gz NIQMKBFHAIKJRI-ZNFPLGDCSA-N 0 0 323.352 3.367 50 5 DGBARN CC(C)OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000040091223 183033681 /nfs/dbraw/zinc/03/36/81/183033681.db2.gz VHKGLJSXJJRUOS-UHFFFAOYSA-N 0 0 302.286 3.347 50 5 DGBARN Cc1noc(C)c1CN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000042098595 183232790 /nfs/dbraw/zinc/23/27/90/183232790.db2.gz HFVQUPBLTOQWBO-UHFFFAOYSA-N 0 0 312.329 3.384 50 5 DGBARN CC(C)OCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331634 183355846 /nfs/dbraw/zinc/35/58/46/183355846.db2.gz WTHCLYJKTUWOPO-UHFFFAOYSA-N 0 0 315.757 3.185 50 5 DGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000000052969 284714748 /nfs/dbraw/zinc/71/47/48/284714748.db2.gz YTYUJYLXKGZIHE-UHFFFAOYSA-N 0 0 321.336 3.275 50 5 biogenic DGBARN CC(C)n1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000061683412 184182089 /nfs/dbraw/zinc/18/20/89/184182089.db2.gz XHUVTBOEEWWJTN-UHFFFAOYSA-N 0 0 308.725 3.278 50 5 DGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(C2CC2)o1 ZINC000065564352 184366554 /nfs/dbraw/zinc/36/65/54/184366554.db2.gz QTOQBPLZPZUTPB-SNVBAGLBSA-N 0 0 302.334 3.048 50 5 DGBARN Cc1cc(C(F)(F)F)nc2c([N+](=O)[O-])c(C(C)(C)C)nn21 ZINC000000124719 291791005 /nfs/dbraw/zinc/79/10/05/291791005.db2.gz MSNPFIKLDRESES-UHFFFAOYSA-N 0 0 302.256 3.262 50 5 DGBARN COc1ccc(OC(=O)C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000068718992 184497198 /nfs/dbraw/zinc/49/71/98/184497198.db2.gz YXCBNROFBVEXDB-UHFFFAOYSA-N 0 0 313.309 3.241 50 5 DGBARN O=[N+]([O-])c1cc(Br)ccc1NN1CCCCC1 ZINC000112208878 285083325 /nfs/dbraw/zinc/08/33/25/285083325.db2.gz SQXYGZGEPMUOFD-UHFFFAOYSA-N 0 0 300.156 3.170 50 5 DGBARN O=[N+]([O-])c1cc2c(cc1C[C@@H]1CC1(Cl)Cl)OCCO2 ZINC000004006222 285098530 /nfs/dbraw/zinc/09/85/30/285098530.db2.gz USKADWBMQCFSSQ-MRVPVSSYSA-N 0 0 304.129 3.102 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004002025 285125672 /nfs/dbraw/zinc/12/56/72/285125672.db2.gz QJWPGXTWEMHBEK-UHFFFAOYSA-N 0 0 301.321 3.061 50 5 DGBARN CN(C(=O)c1ccnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000348035066 257236257 /nfs/dbraw/zinc/23/62/57/257236257.db2.gz OSAMMMQBPPUHJC-UHFFFAOYSA-N 0 0 322.324 3.057 50 5 DGBARN CCc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1C ZINC000521394938 257241188 /nfs/dbraw/zinc/24/11/88/257241188.db2.gz BVDSHUPGUXZCRG-UHFFFAOYSA-N 0 0 305.359 3.254 50 5 DGBARN Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000071899466 184894847 /nfs/dbraw/zinc/89/48/47/184894847.db2.gz XYVVOTCNRJZVQH-UHFFFAOYSA-N 0 0 319.405 3.352 50 5 DGBARN CC(=O)c1ccc(N[C@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000071904207 184897550 /nfs/dbraw/zinc/89/75/50/184897550.db2.gz MVWVJTPJQCTYEV-SECBINFHSA-N 0 0 302.334 3.012 50 5 DGBARN CC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074241811 184966953 /nfs/dbraw/zinc/96/69/53/184966953.db2.gz YQXLKLCIHLYWKV-QMMMGPOBSA-N 0 0 304.268 3.484 50 5 DGBARN CCCCNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004531294 134461221 /nfs/dbraw/zinc/46/12/21/134461221.db2.gz UFUMAMRZGVOZFR-UHFFFAOYSA-N 0 0 305.378 3.115 50 5 DGBARN Cc1sc(C(=O)NCCSC(C)(C)C)cc1[N+](=O)[O-] ZINC000066737140 400112956 /nfs/dbraw/zinc/11/29/56/400112956.db2.gz GCHITIPAWGXKIB-UHFFFAOYSA-N 0 0 302.421 3.226 50 5 DGBARN O=[N+]([O-])c1ccccc1NCc1ccc(C2OCCO2)cc1 ZINC000071920587 400373677 /nfs/dbraw/zinc/37/36/77/400373677.db2.gz DKAKSLBMPKCDOS-UHFFFAOYSA-N 0 0 300.314 3.252 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C(C)C)no1 ZINC000072285049 400378367 /nfs/dbraw/zinc/37/83/67/400378367.db2.gz YOEOYZWFDCAKNH-UHFFFAOYSA-N 0 0 318.333 3.336 50 5 DGBARN COc1ccc2c(c1)oc1c3ccc(OC)cc3oc(=O)c1c2=O ZINC000252510342 274140342 /nfs/dbraw/zinc/14/03/42/274140342.db2.gz ZHUVGPJLIGTIFW-UHFFFAOYSA-N 0 0 324.288 3.070 50 5 DGBARN O=Cc1cn(-c2ccc(F)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000732208 275031588 /nfs/dbraw/zinc/03/15/88/275031588.db2.gz ZHCCGGIUNOEYBB-UHFFFAOYSA-N 0 0 311.272 3.399 50 5 DGBARN O=[N+]([O-])c1ccc(N2CC3(CCOCC3)c3ccccc32)nc1 ZINC000302699315 275036022 /nfs/dbraw/zinc/03/60/22/275036022.db2.gz HKCVQHWYTCUZSL-UHFFFAOYSA-N 0 0 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C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1cccnc1 ZINC000007030976 431328474 /nfs/dbraw/zinc/32/84/74/431328474.db2.gz XPTRGFHAWWRWJE-ZDUSSCGKSA-N 0 0 313.357 3.142 50 5 DGBARN Cc1ccc(OCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])n1 ZINC000007154159 431334994 /nfs/dbraw/zinc/33/49/94/431334994.db2.gz LADMWGHBKXGAAT-UHFFFAOYSA-N 0 0 318.720 3.178 50 5 DGBARN C[C@@H](SCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000007132260 431336453 /nfs/dbraw/zinc/33/64/53/431336453.db2.gz PHBUZONOIUKPQH-LLVKDONJSA-N 0 0 308.403 3.448 50 5 DGBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1nnc(-c2ccccc2)o1 ZINC000007371762 431343415 /nfs/dbraw/zinc/34/34/15/431343415.db2.gz LOJKQEIQBJDQFA-SNVBAGLBSA-N 0 0 312.285 3.180 50 5 DGBARN O=c1ccc([N+](=O)[O-])cn1Cc1ccc(-c2ccccc2)cc1 ZINC000008941360 431418984 /nfs/dbraw/zinc/41/89/84/431418984.db2.gz YRKMBLHBQCEKGM-UHFFFAOYSA-N 0 0 306.321 3.472 50 5 DGBARN O=C(NCCSCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000008369130 431395493 /nfs/dbraw/zinc/39/54/93/431395493.db2.gz 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C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000023694062 431639260 /nfs/dbraw/zinc/63/92/60/431639260.db2.gz OMHCEEIRCQRUAS-OAHLLOKOSA-N 0 0 311.385 3.478 50 5 DGBARN Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)ccc1[N+](=O)[O-] ZINC000024743835 431643229 /nfs/dbraw/zinc/64/32/29/431643229.db2.gz HXJMNOONMNDORL-UHFFFAOYSA-N 0 0 324.296 3.206 50 5 DGBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000025056173 431646114 /nfs/dbraw/zinc/64/61/14/431646114.db2.gz KHOPWWRQHNVJID-UHFFFAOYSA-N 0 0 313.338 3.481 50 5 DGBARN O=C(Nc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1F)C1CC1 ZINC000029526783 431724583 /nfs/dbraw/zinc/72/45/83/431724583.db2.gz PSVKOKFLJKLBGW-UHFFFAOYSA-N 0 0 316.292 3.221 50 5 DGBARN O=[N+]([O-])c1ccccc1OCc1nc(Cc2ccccc2)no1 ZINC000031647333 431761890 /nfs/dbraw/zinc/76/18/90/431761890.db2.gz FPJPBLKRJRLLFZ-UHFFFAOYSA-N 0 0 311.297 3.148 50 5 DGBARN COCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000044548882 431874749 /nfs/dbraw/zinc/87/47/49/431874749.db2.gz 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431983322 /nfs/dbraw/zinc/98/33/22/431983322.db2.gz SSWSQOCQMSPPAM-UHFFFAOYSA-N 0 0 315.348 3.056 50 5 DGBARN Cc1nn(C)c(N[C@@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000057147320 431991467 /nfs/dbraw/zinc/99/14/67/431991467.db2.gz GMLPXJHFOIVPJW-GFCCVEGCSA-N 0 0 306.753 3.390 50 5 DGBARN Cc1ccsc1-c1nc(N)c2c(n1)c1ccccc1oc2=O ZINC000226758372 432708868 /nfs/dbraw/zinc/70/88/68/432708868.db2.gz JYMCGFSBYPQCML-UHFFFAOYSA-N 0 0 309.350 3.355 50 5 DGBARN CC(C)(NC(=O)CNc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236660723 432755333 /nfs/dbraw/zinc/75/53/33/432755333.db2.gz YWBGSXJMCLZBMU-UHFFFAOYSA-N 0 0 313.357 3.058 50 5 DGBARN C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000245565624 432844296 /nfs/dbraw/zinc/84/42/96/432844296.db2.gz DTJPWBAYUZGVRI-BLLLJJGKSA-N 0 0 318.352 3.014 50 5 DGBARN CC1(C)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCS1 ZINC000279278738 432952940 /nfs/dbraw/zinc/95/29/40/432952940.db2.gz KFELOVNJCFBRSE-UHFFFAOYSA-N 0 0 322.430 3.272 50 5 DGBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000000179878 304643825 /nfs/dbraw/zinc/64/38/25/304643825.db2.gz UPPJKWRNZWHTLR-OAHLLOKOSA-N 0 0 300.339 3.373 50 5 DGBARN CC(=O)c1ccccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000072986947 323210114 /nfs/dbraw/zinc/21/01/14/323210114.db2.gz WSGIJNTYOGGDIJ-LLVKDONJSA-N 0 0 312.325 3.288 50 5 DGBARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000451056 331462599 /nfs/dbraw/zinc/46/25/99/331462599.db2.gz LVGYXXODKTYUIO-GFCCVEGCSA-N 0 0 314.341 3.485 50 5 DGBARN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCCC1 ZINC000046354042 545681728 /nfs/dbraw/zinc/68/17/28/545681728.db2.gz QLYWDYZVAGTSKH-UHFFFAOYSA-N 0 0 316.361 3.266 50 5 DGBARN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000084651769 545793012 /nfs/dbraw/zinc/79/30/12/545793012.db2.gz XRVFRSMFKMOBMD-NSHDSACASA-N 0 0 324.340 3.351 50 5 DGBARN CO[C@@H](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000240551389 546294759 /nfs/dbraw/zinc/29/47/59/546294759.db2.gz 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Cc1c(C(=O)NC(=S)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000000456034 180796500 /nfs/dbraw/zinc/79/65/00/180796500.db2.gz WJGSYYRHPYAVCZ-UHFFFAOYSA-N 0 0 315.354 3.030 50 5 DGBARN CC(C)(C)Cc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000000476582 180803046 /nfs/dbraw/zinc/80/30/46/180803046.db2.gz QIBMZROMKNUHRC-UHFFFAOYSA-N 0 0 320.374 3.287 50 5 DGBARN CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000613667 180829139 /nfs/dbraw/zinc/82/91/39/180829139.db2.gz RMULPOYYYSKDHQ-HNNXBMFYSA-N 0 0 313.313 3.194 50 5 DGBARN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000003355941 181011331 /nfs/dbraw/zinc/01/13/31/181011331.db2.gz OBNBDIVWIQAFNA-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1O ZINC000003887618 181053001 /nfs/dbraw/zinc/05/30/01/181053001.db2.gz NLUWKKNOXIRINM-AWEZNQCLSA-N 0 0 312.325 3.291 50 5 DGBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003896296 181053537 /nfs/dbraw/zinc/05/35/37/181053537.db2.gz WTQPIGGHYQJPQK-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004039207 181065670 /nfs/dbraw/zinc/06/56/70/181065670.db2.gz CPLHTUXRTLAQAD-LLVKDONJSA-N 0 0 316.313 3.009 50 5 DGBARN Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004038179 181066178 /nfs/dbraw/zinc/06/61/78/181066178.db2.gz HXCLSVPJPDTDIR-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN Cc1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004013429 181062306 /nfs/dbraw/zinc/06/23/06/181062306.db2.gz POIUSXIOCUNTQD-UHFFFAOYSA-N 0 0 315.245 3.091 50 5 DGBARN Cc1cc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000004061523 181068098 /nfs/dbraw/zinc/06/80/98/181068098.db2.gz BBFLDAWYGPVSAN-UHFFFAOYSA-N 0 0 323.352 3.325 50 5 DGBARN O=C(Nc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004122590 181076593 /nfs/dbraw/zinc/07/65/93/181076593.db2.gz KFXKSRGNOXYADH-UHFFFAOYSA-N 0 0 311.341 3.447 50 5 DGBARN CC(C)NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542668 181122533 /nfs/dbraw/zinc/12/25/33/181122533.db2.gz QKOTXECLPFPLLQ-UHFFFAOYSA-N 0 0 302.330 3.312 50 5 DGBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000004547047 181123130 /nfs/dbraw/zinc/12/31/30/181123130.db2.gz ZXUVDZMAWXSXDH-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN COc1cc(C(=O)NC2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000004677232 181135250 /nfs/dbraw/zinc/13/52/50/181135250.db2.gz DLLXBHUADPQXMA-UHFFFAOYSA-N 0 0 322.361 3.065 50 5 DGBARN COC(=O)c1cc(C)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004750121 181147558 /nfs/dbraw/zinc/14/75/58/181147558.db2.gz MVSQJNGJWPJKSG-UHFFFAOYSA-N 0 0 320.326 3.004 50 5 DGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccccc1F ZINC000004765296 181149576 /nfs/dbraw/zinc/14/95/76/181149576.db2.gz PCBHBQFRLQABKO-UHFFFAOYSA-N 0 0 306.249 3.353 50 5 DGBARN COc1ccccc1-c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1N ZINC000004808975 181154891 /nfs/dbraw/zinc/15/48/91/181154891.db2.gz UWXXSVCFBILWHP-UHFFFAOYSA-N 0 0 324.340 3.347 50 5 DGBARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004835335 181159938 /nfs/dbraw/zinc/15/99/38/181159938.db2.gz SWCFIFDZJDYFOG-SNVBAGLBSA-N 0 0 303.343 3.109 50 5 DGBARN CC(C)c1onc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000004937533 181175590 /nfs/dbraw/zinc/17/55/90/181175590.db2.gz POXDBLFINPHGRI-UHFFFAOYSA-N 0 0 311.244 3.237 50 5 DGBARN Cc1cc(C)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000004957254 181179559 /nfs/dbraw/zinc/17/95/59/181179559.db2.gz JTLFCKQXSSVHAZ-UHFFFAOYSA-N 0 0 306.343 3.012 50 5 DGBARN COc1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000005020762 181191463 /nfs/dbraw/zinc/19/14/63/181191463.db2.gz LLFDDNOSWVIWPL-UHFFFAOYSA-N 0 0 311.290 3.161 50 5 DGBARN CCCCN=C1NN=C(c2ccc(C)c([N+](=O)[O-])c2)CS1 ZINC000005157829 181211784 /nfs/dbraw/zinc/21/17/84/181211784.db2.gz PINMSCHWXOFQSW-UHFFFAOYSA-N 0 0 306.391 3.100 50 5 DGBARN CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005208165 181217220 /nfs/dbraw/zinc/21/72/20/181217220.db2.gz YWTOZWITTRYCTP-UHFFFAOYSA-N 0 0 302.290 3.313 50 5 DGBARN COc1cc(C(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000005363241 181234663 /nfs/dbraw/zinc/23/46/63/181234663.db2.gz DYIWPLKXAPJJBB-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000005277927 181225519 /nfs/dbraw/zinc/22/55/19/181225519.db2.gz BKOVSIPBSIXDMW-UHFFFAOYSA-N 0 0 321.676 3.409 50 5 DGBARN CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000005500884 181250458 /nfs/dbraw/zinc/25/04/58/181250458.db2.gz NUQMDPIGWMFCGA-UHFFFAOYSA-N 0 0 317.389 3.067 50 5 DGBARN COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000005679475 181271593 /nfs/dbraw/zinc/27/15/93/181271593.db2.gz OHNHTBBYFAJEDM-UHFFFAOYSA-N 0 0 320.732 3.187 50 5 DGBARN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)ccc1O ZINC000239654442 202454004 /nfs/dbraw/zinc/45/40/04/202454004.db2.gz BNNYQLCHWJHTNX-UHFFFAOYSA-N 0 0 320.276 3.091 50 5 DGBARN Cc1ccc(OCC(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])n1 ZINC000005970032 181302067 /nfs/dbraw/zinc/30/20/67/181302067.db2.gz FECLGKAYKIEPJA-UHFFFAOYSA-N 0 0 312.325 3.049 50 5 DGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1cnc(Cl)s1 ZINC000006221731 181321070 /nfs/dbraw/zinc/32/10/70/181321070.db2.gz VKRSUEGTXNPZCX-UHFFFAOYSA-N 0 0 313.722 3.453 50 5 DGBARN O=C(Cc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 ZINC000006384151 181336266 /nfs/dbraw/zinc/33/62/66/181336266.db2.gz RGSURXHGFIBHGI-UHFFFAOYSA-N 0 0 310.309 3.362 50 5 DGBARN Cc1ccc(NC(=O)CNc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000006602198 181360256 /nfs/dbraw/zinc/36/02/56/181360256.db2.gz QGHKZEHUMYJJOS-UHFFFAOYSA-N 0 0 303.293 3.093 50 5 DGBARN CC(C)c1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn21 ZINC000006658588 181366946 /nfs/dbraw/zinc/36/69/46/181366946.db2.gz UQBQQWFBRKUFAU-VMPITWQZSA-N 0 0 315.358 3.388 50 5 DGBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)o1 ZINC000006787196 181388589 /nfs/dbraw/zinc/38/85/89/181388589.db2.gz OZMNGLXLABIAGT-UHFFFAOYSA-N 0 0 313.298 3.021 50 5 DGBARN Cc1c(C(=O)Nc2ccc(C(C)(C)C)nn2)cccc1[N+](=O)[O-] ZINC000096411013 193624059 /nfs/dbraw/zinc/62/40/59/193624059.db2.gz BKQIMZDVSXYXBJ-UHFFFAOYSA-N 0 0 314.345 3.243 50 5 DGBARN Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000008395350 181554558 /nfs/dbraw/zinc/55/45/58/181554558.db2.gz FCCCZRPGCIPAPX-CQSZACIVSA-N 0 0 312.325 3.157 50 5 DGBARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000859125 284312215 /nfs/dbraw/zinc/31/22/15/284312215.db2.gz CKMHNOHNFIWQQR-UHFFFAOYSA-N 0 0 311.341 3.447 50 5 DGBARN CCn1cc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000017054246 182072127 /nfs/dbraw/zinc/07/21/27/182072127.db2.gz DJSLYTIGNVZZSX-JTQLQIEISA-N 0 0 317.349 3.002 50 5 DGBARN C[C@H]1c2cccn2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017742828 182085642 /nfs/dbraw/zinc/08/56/42/182085642.db2.gz HNPIDWSKXWEUJB-NSHDSACASA-N 0 0 300.318 3.005 50 5 DGBARN CCC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018134993 182094675 /nfs/dbraw/zinc/09/46/75/182094675.db2.gz HHBRVAPQAGEQQA-OAHLLOKOSA-N 0 0 313.357 3.448 50 5 DGBARN O=[N+]([O-])c1ccc(NCCOCc2ccccc2Cl)nc1 ZINC000018247521 182100734 /nfs/dbraw/zinc/10/07/34/182100734.db2.gz HWNIRCYJLHCIAD-UHFFFAOYSA-N 0 0 307.737 3.272 50 5 DGBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NC[C@@H](C)O ZINC000019530856 182129383 /nfs/dbraw/zinc/12/93/83/182129383.db2.gz BJMUAUKEMDQALQ-GFCCVEGCSA-N 0 0 324.380 3.357 50 5 DGBARN COC(=O)c1cc2sccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000020382723 182213981 /nfs/dbraw/zinc/21/39/81/182213981.db2.gz WKAHAAUHHAQVDG-UHFFFAOYSA-N 0 0 316.338 3.446 50 5 DGBARN Cc1n[nH]cc1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000024204830 182376537 /nfs/dbraw/zinc/37/65/37/182376537.db2.gz NCUHQAIUMDYNOP-UHFFFAOYSA-N 0 0 311.345 3.219 50 5 DGBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000024542487 182383433 /nfs/dbraw/zinc/38/34/33/182383433.db2.gz ZSPAWYJVAOFTJO-BETUJISGSA-N 0 0 306.362 3.072 50 5 DGBARN Cc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)NC2=O ZINC000024985673 182397527 /nfs/dbraw/zinc/39/75/27/182397527.db2.gz DEDWJWMVAVCMDE-AWEZNQCLSA-N 0 0 317.732 3.411 50 5 DGBARN Cc1cccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000031553606 182615844 /nfs/dbraw/zinc/61/58/44/182615844.db2.gz KCMDHOITQNSWAT-UHFFFAOYSA-N 0 0 300.314 3.311 50 5 DGBARN CCOc1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000040074142 183031392 /nfs/dbraw/zinc/03/13/92/183031392.db2.gz PIJLGQCUECJNIL-UHFFFAOYSA-N 0 0 314.341 3.266 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCSC1CCCC1 ZINC000040082598 183032278 /nfs/dbraw/zinc/03/22/78/183032278.db2.gz UENDQALROQCOFU-UHFFFAOYSA-N 0 0 324.402 3.009 50 5 DGBARN Cc1c(NC(=O)NCCc2cccs2)cccc1[N+](=O)[O-] ZINC000040099065 183034972 /nfs/dbraw/zinc/03/49/72/183034972.db2.gz QPCKTKABJSKBIQ-UHFFFAOYSA-N 0 0 305.359 3.329 50 5 DGBARN Cc1ccc(OCc2cnn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000040116504 183037358 /nfs/dbraw/zinc/03/73/58/183037358.db2.gz CLSUWJZOLYXZTE-UHFFFAOYSA-N 0 0 310.313 3.063 50 5 DGBARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])o1 ZINC000043549528 183371067 /nfs/dbraw/zinc/37/10/67/183371067.db2.gz MVEWEBIRVDJQFB-INIZCTEOSA-N 0 0 323.308 3.102 50 5 DGBARN COc1c(OC(=O)c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC000043827659 183387107 /nfs/dbraw/zinc/38/71/07/183387107.db2.gz REDHGOXQUJIHKU-UHFFFAOYSA-N 0 0 307.689 3.476 50 5 DGBARN O=C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)c2ccccc2N1 ZINC000253392390 284797795 /nfs/dbraw/zinc/79/77/95/284797795.db2.gz QLWDWIKLGPZJCC-UHFFFAOYSA-N 0 0 315.304 3.083 50 5 DGBARN Cc1nnc(Sc2ccc3ncccc3c2[N+](=O)[O-])s1 ZINC000112072591 194429253 /nfs/dbraw/zinc/42/92/53/194429253.db2.gz SKOUBOJSIFCRLK-UHFFFAOYSA-N 0 0 304.356 3.454 50 5 DGBARN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1c1ccc[nH]1 ZINC000061396947 184170225 /nfs/dbraw/zinc/17/02/25/184170225.db2.gz QQQKTIXJAOZPHJ-INIZCTEOSA-N 0 0 324.340 3.382 50 5 DGBARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc([N+](=O)[O-])s1 ZINC000033380817 284945574 /nfs/dbraw/zinc/94/55/74/284945574.db2.gz MCDPBHLJCDQHKS-DHZHZOJOSA-N 0 0 300.295 3.001 50 5 DGBARN O=[N+]([O-])c1ccc(Oc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000033354228 285138243 /nfs/dbraw/zinc/13/82/43/285138243.db2.gz ZFPQCDUWZQROIK-UHFFFAOYSA-N 0 0 305.202 3.204 50 5 DGBARN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000225560496 256596701 /nfs/dbraw/zinc/59/67/01/256596701.db2.gz OOTCRJIWYBQWJT-VIFPVBQESA-N 0 0 321.768 3.349 50 5 DGBARN O[C@@H]1c2cc3ccc4cccc5ccc(c3c45)c2[C@@H]2O[C@@H]2[C@H]1O ZINC000002001190 285337451 /nfs/dbraw/zinc/33/74/51/285337451.db2.gz DQEPMTIXHXSFOR-FUMNGEBKSA-N 0 0 302.329 3.432 50 5 in-vitro DGBARN c1ccc2c(c1)c1ccccc1c1nc(N3CCOCC3)nnc21 ZINC000000134140 285525545 /nfs/dbraw/zinc/52/55/45/285525545.db2.gz RKBSXBMXNOEXNR-UHFFFAOYSA-N 0 0 316.364 3.168 50 5 DGBARN O=[N+]([O-])c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003103024 400082850 /nfs/dbraw/zinc/08/28/50/400082850.db2.gz VYZISAHVUFVLSW-UHFFFAOYSA-N 0 0 308.219 3.323 50 5 DGBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCC2(CCOC2)CC1 ZINC000588040194 400182908 /nfs/dbraw/zinc/18/29/08/400182908.db2.gz ROBWAJDZZFYUCF-UHFFFAOYSA-N 0 0 313.357 3.150 50 5 DGBARN O=[N+]([O-])c1c(N[C@H]2CCOc3ccccc32)nc2ccccn21 ZINC000070790637 400357514 /nfs/dbraw/zinc/35/75/14/400357514.db2.gz BEDJIFMXVBSWBQ-LBPRGKRZSA-N 0 0 310.313 3.178 50 5 DGBARN COC(=O)/C=C/c1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000075279722 400569045 /nfs/dbraw/zinc/56/90/45/400569045.db2.gz ZMMJHURTFRIDKU-NSCUHMNNSA-N 0 0 320.526 3.197 50 5 DGBARN O=c1ccc(C(F)(F)F)cn1CCc1ccc([N+](=O)[O-])cc1 ZINC000077894937 400753553 /nfs/dbraw/zinc/75/35/53/400753553.db2.gz YAGXYXOECJZOJE-UHFFFAOYSA-N 0 0 312.247 3.018 50 5 DGBARN COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000009426461 286285262 /nfs/dbraw/zinc/28/52/62/286285262.db2.gz AXFFNGMZLDTZAH-LLVKDONJSA-N 0 0 312.325 3.195 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)Nc2ccccc2N1O ZINC000000184520 292293323 /nfs/dbraw/zinc/29/33/23/292293323.db2.gz IZYAFRDCAMVETJ-UHFFFAOYSA-N 0 0 300.274 3.066 50 5 DGBARN CCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000010237337 425700806 /nfs/dbraw/zinc/70/08/06/425700806.db2.gz NDPPMBKASXYIHW-UHFFFAOYSA-N 0 0 310.313 3.217 50 5 DGBARN CCCCC(=O)Nc1nc2c(cc([N+](=O)[O-])cc2OC)s1 ZINC000003200971 275969425 /nfs/dbraw/zinc/96/94/25/275969425.db2.gz HWVJPAXZJSPZIK-UHFFFAOYSA-N 0 0 309.347 3.342 50 5 DGBARN COc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000000073030 277779538 /nfs/dbraw/zinc/77/95/38/277779538.db2.gz DXMVGEQBXPPGFL-UHFFFAOYSA-N 0 0 310.929 3.128 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C ZINC000000038897 431113471 /nfs/dbraw/zinc/11/34/71/431113471.db2.gz XYYIWOSMNNYQNJ-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C ZINC000000038368 431114076 /nfs/dbraw/zinc/11/40/76/431114076.db2.gz JUZIWZVWYCSLQJ-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN COc1ccc([N+](=O)[O-])cc1[C@H]1NN=C(c2ccccc2)S1 ZINC000000048926 431114550 /nfs/dbraw/zinc/11/45/50/431114550.db2.gz RODIBCQTFOGQAF-HNNXBMFYSA-N 0 0 315.354 3.300 50 5 DGBARN CCOC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000046563 431114600 /nfs/dbraw/zinc/11/46/00/431114600.db2.gz MXFMRWMPMQIOSC-UHFFFAOYSA-N 0 0 312.321 3.197 50 5 DGBARN COc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000073532 431118722 /nfs/dbraw/zinc/11/87/22/431118722.db2.gz POWWFFYSVIFCMG-UHFFFAOYSA-N 0 0 307.689 3.476 50 5 DGBARN O=c1[nH]ncn2c3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c12 ZINC000000081250 431119282 /nfs/dbraw/zinc/11/92/82/431119282.db2.gz VIJGARMXIXUQEI-UHFFFAOYSA-N 0 0 306.281 3.163 50 5 DGBARN Cc1cc(C(=O)Nc2cccc3nsnc32)ccc1[N+](=O)[O-] ZINC000000104046 431125047 /nfs/dbraw/zinc/12/50/47/431125047.db2.gz WAKOSDYHONYZTH-UHFFFAOYSA-N 0 0 314.326 3.160 50 5 DGBARN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000041968303 279158121 /nfs/dbraw/zinc/15/81/21/279158121.db2.gz MKEOYHCCFCQKGZ-NSHDSACASA-N 0 0 311.341 3.452 50 5 DGBARN O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000162575 431135754 /nfs/dbraw/zinc/13/57/54/431135754.db2.gz KGVBETVZAXFPLS-UHFFFAOYSA-N 0 0 311.746 3.222 50 5 DGBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000000179899 431139343 /nfs/dbraw/zinc/13/93/43/431139343.db2.gz UGPKQUAWSIETTO-HNNXBMFYSA-N 0 0 300.339 3.373 50 5 DGBARN O=C(CC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000185490 431142270 /nfs/dbraw/zinc/14/22/70/431142270.db2.gz ZIVNRDKNFPSGPN-UHFFFAOYSA-N 0 0 318.716 3.460 50 5 DGBARN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000000189306 431141444 /nfs/dbraw/zinc/14/14/44/431141444.db2.gz IYYZQBYMUSUVPU-UWVGGRQHSA-N 0 0 320.370 3.059 50 5 DGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000000335047 431166868 /nfs/dbraw/zinc/16/68/68/431166868.db2.gz TXSBXNAOWJYEAT-UHFFFAOYSA-N 0 0 302.717 3.451 50 5 DGBARN O=C(COC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000332883 431168169 /nfs/dbraw/zinc/16/81/69/431168169.db2.gz LTJPKZDHVJPPAK-UHFFFAOYSA-N 0 0 319.700 3.288 50 5 DGBARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000446246 431183617 /nfs/dbraw/zinc/18/36/17/431183617.db2.gz OVVBVKXLCBYVMV-LCYFTJDESA-N 0 0 312.256 3.078 50 5 DGBARN CCCc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000000454605 431186350 /nfs/dbraw/zinc/18/63/50/431186350.db2.gz GPNQHBFKSRLSRM-UHFFFAOYSA-N 0 0 309.325 3.246 50 5 DGBARN CN(C)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000000463132 431188752 /nfs/dbraw/zinc/18/87/52/431188752.db2.gz FPSWDZHMNLEMIJ-KPKJPENVSA-N 0 0 311.341 3.313 50 5 DGBARN C[C@H](C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000471390 431191235 /nfs/dbraw/zinc/19/12/35/431191235.db2.gz LKLHJPHZHDWYHJ-NSHDSACASA-N 0 0 302.305 3.154 50 5 DGBARN CC(=O)Nc1ccc(C)cc1OCc1ccccc1[N+](=O)[O-] ZINC000069569832 431197645 /nfs/dbraw/zinc/19/76/45/431197645.db2.gz LVHCTWLRBVNEEI-UHFFFAOYSA-N 0 0 300.314 3.441 50 5 DGBARN CCOc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069558938 431197919 /nfs/dbraw/zinc/19/79/19/431197919.db2.gz ZEELGDBYXWQZAW-UHFFFAOYSA-N 0 0 318.304 3.063 50 5 DGBARN CC(C)c1nc2sc3c(ncn4nnnc34)c2c2c1CCCC2 ZINC000000541554 431200489 /nfs/dbraw/zinc/20/04/89/431200489.db2.gz YNOWPJFXESMESI-UHFFFAOYSA-N 0 0 324.413 3.284 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)o1 ZINC000000256003 431152804 /nfs/dbraw/zinc/15/28/04/431152804.db2.gz CQVIANVPZYKEAW-UHFFFAOYSA-N 0 0 311.091 3.203 50 5 DGBARN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H](C)O1 ZINC000000268768 431157510 /nfs/dbraw/zinc/15/75/10/431157510.db2.gz YZLWKUAQULHULQ-GHMZBOCLSA-N 0 0 319.386 3.332 50 5 DGBARN COc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(C(C)=O)c1 ZINC000000265367 431157699 /nfs/dbraw/zinc/15/76/99/431157699.db2.gz LCAKZEUXTIDNGH-UHFFFAOYSA-N 0 0 315.281 3.025 50 5 DGBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1 ZINC000000292361 431160305 /nfs/dbraw/zinc/16/03/05/431160305.db2.gz PSBGZWFDRJNMOX-UHFFFAOYSA-N 0 0 300.314 3.481 50 5 DGBARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000580043 431204555 /nfs/dbraw/zinc/20/45/55/431204555.db2.gz GHQWWOFKHJNETE-HNNXBMFYSA-N 0 0 300.314 3.391 50 5 DGBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1 ZINC000000858584 431211187 /nfs/dbraw/zinc/21/11/87/431211187.db2.gz SQTFIZNGDUKVBY-UHFFFAOYSA-N 0 0 316.313 3.173 50 5 DGBARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001163733 431216446 /nfs/dbraw/zinc/21/64/46/431216446.db2.gz NZTXOYIKRLOVPJ-LBPRGKRZSA-N 0 0 313.309 3.331 50 5 DGBARN CN(C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000001470020 431230584 /nfs/dbraw/zinc/23/05/84/431230584.db2.gz FRECMHABNDXFDQ-IZZDOVSWSA-N 0 0 311.341 3.313 50 5 DGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CCCCC1 ZINC000002616544 431258430 /nfs/dbraw/zinc/25/84/30/431258430.db2.gz VWXQUPFCRZNOCW-UHFFFAOYSA-N 0 0 308.403 3.383 50 5 DGBARN CCCC[C@@H](CC)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000001750479 431240001 /nfs/dbraw/zinc/24/00/01/431240001.db2.gz BZLBGWXJYRBFEV-CYBMUJFWSA-N 0 0 308.378 3.306 50 5 DGBARN Cc1nn(CC(=O)c2cc(C)c(C)cc2C)c(C)c1[N+](=O)[O-] ZINC000002622496 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O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 ZINC000005604163 181263090 /nfs/dbraw/zinc/26/30/90/181263090.db2.gz JDPHEOAKQNHENO-UHFFFAOYSA-N 0 0 312.734 3.049 50 5 DGBARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005866322 181290837 /nfs/dbraw/zinc/29/08/37/181290837.db2.gz OJKGHGVTFXTJPM-LBPRGKRZSA-N 0 0 300.314 3.309 50 5 DGBARN CCc1ccc(NC(=O)N2CCC[C@@H](COC)C2)cc1[N+](=O)[O-] ZINC000089286508 192760043 /nfs/dbraw/zinc/76/00/43/192760043.db2.gz CJCBWULTUNPLDE-GFCCVEGCSA-N 0 0 321.377 3.048 50 5 DGBARN CC(=O)c1cccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])c1 ZINC000006056478 181309403 /nfs/dbraw/zinc/30/94/03/181309403.db2.gz KFVBAXDIZQKMOR-KTKRTIGZSA-N 0 0 310.309 3.449 50 5 DGBARN Cc1cc([N+](=O)[O-])nn1Cc1nc(-c2cccs2)oc1C ZINC000193867720 201133726 /nfs/dbraw/zinc/13/37/26/201133726.db2.gz ZJHPZBJLZWLADQ-UHFFFAOYSA-N 0 0 304.331 3.173 50 5 DGBARN O=C(Oc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000006413914 181339182 /nfs/dbraw/zinc/33/91/82/181339182.db2.gz 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Cc1cc(C(=O)N(C)c2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000024924396 182394718 /nfs/dbraw/zinc/39/47/18/182394718.db2.gz RLCPDCLNJDDZKU-UHFFFAOYSA-N 0 0 311.297 3.321 50 5 DGBARN CSc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000027168420 182464539 /nfs/dbraw/zinc/46/45/39/182464539.db2.gz UIDVNSMMBICEPO-SECBINFHSA-N 0 0 306.343 3.401 50 5 DGBARN CC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000029470471 182566520 /nfs/dbraw/zinc/56/65/20/182566520.db2.gz ZEAWUWDOZPKBDA-UHFFFAOYSA-N 0 0 304.327 3.420 50 5 DGBARN CCOC(=O)[C@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039401192 183018095 /nfs/dbraw/zinc/01/80/95/183018095.db2.gz AJBKHKJPOVZUOE-OAHLLOKOSA-N 0 0 301.298 3.278 50 5 DGBARN CS[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000042818749 183312000 /nfs/dbraw/zinc/31/20/00/183312000.db2.gz KWYOEXOEBBLSOV-QMMMGPOBSA-N 0 0 323.399 3.408 50 5 DGBARN CS[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000042818753 183312329 /nfs/dbraw/zinc/31/23/29/183312329.db2.gz 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ZINC000071811031 184849233 /nfs/dbraw/zinc/84/92/33/184849233.db2.gz KHLJEXZRSGJHSW-UHFFFAOYSA-N 0 0 316.386 3.373 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1OCc1ccccc1 ZINC000263618858 134408380 /nfs/dbraw/zinc/40/83/80/134408380.db2.gz VVOBTIGCBHPMFT-UHFFFAOYSA-N 0 0 314.341 3.010 50 5 DGBARN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000093689884 400253549 /nfs/dbraw/zinc/25/35/49/400253549.db2.gz LVNVKKGPPGKLRY-LSDHHAIUSA-N 0 0 308.403 3.160 50 5 DGBARN CC(=O)c1ccc(N[C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000076019689 400628029 /nfs/dbraw/zinc/62/80/29/400628029.db2.gz SYYZYWBZLKGKQI-CYBMUJFWSA-N 0 0 320.370 3.395 50 5 DGBARN CCO[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000075492717 400589036 /nfs/dbraw/zinc/58/90/36/400589036.db2.gz NSGGWPUALJFLCL-KBPBESRZSA-N 0 0 319.361 3.064 50 5 DGBARN O=[N+]([O-])c1ccc(Cl)cc1OCc1nc(-c2ccoc2)no1 ZINC000075584297 400597009 /nfs/dbraw/zinc/59/70/09/400597009.db2.gz WINLZFKDQYATBV-UHFFFAOYSA-N 0 0 321.676 3.470 50 5 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O=C(NCCCc1ccccn1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000186441856 432596530 /nfs/dbraw/zinc/59/65/30/432596530.db2.gz AEAAGVKDEHMHCV-UHFFFAOYSA-N 0 0 319.748 3.006 50 5 DGBARN Cn1cncc1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000195560986 432627989 /nfs/dbraw/zinc/62/79/89/432627989.db2.gz BOWMQWURNNVKGS-UHFFFAOYSA-N 0 0 314.267 3.002 50 5 DGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229636547 432721072 /nfs/dbraw/zinc/72/10/72/432721072.db2.gz VXTVPCLBMPBAPQ-LMOYCYGVSA-N 0 0 320.389 3.303 50 5 DGBARN COc1cc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000241815976 432816620 /nfs/dbraw/zinc/81/66/20/432816620.db2.gz SEPGCVNLAMZOMF-SQWLQELKSA-N 0 0 320.389 3.123 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCSC(C)(C)C1 ZINC000162498410 432826272 /nfs/dbraw/zinc/82/62/72/432826272.db2.gz IMTLUNRKXOOLGD-UHFFFAOYSA-N 0 0 309.391 3.263 50 5 DGBARN C[C@@H](C(=O)NCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000390835698 434369392 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Cc1ccnc(N[C@@H](C)c2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000952880543 1096785166 /nfs/dbraw/zinc/78/51/66/1096785166.db2.gz BUGTYUNUBJPPFI-NSHDSACASA-N 0 0 301.350 3.004 50 5 DGBARN CN(Cc1noc(-c2ccccc2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000079354079 185166766 /nfs/dbraw/zinc/16/67/66/185166766.db2.gz CNBDOJQUHPAEKG-UHFFFAOYSA-N 0 0 324.340 3.277 50 5 DGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000096940785 185393213 /nfs/dbraw/zinc/39/32/13/185393213.db2.gz ZFHGVSHUJCDVBK-PLNGDYQASA-N 0 0 314.366 3.254 50 5 DGBARN CC[C@H](NC(=O)c1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000090467613 185297876 /nfs/dbraw/zinc/29/78/76/185297876.db2.gz HGQMPAGTJLPGLG-LBPRGKRZSA-N 0 0 305.359 3.241 50 5 DGBARN COC(=O)c1cc(NCc2nc(C)c(C)s2)ccc1[N+](=O)[O-] ZINC000092662616 185332743 /nfs/dbraw/zinc/33/27/43/185332743.db2.gz GDDTWMBIFSPXLD-UHFFFAOYSA-N 0 0 321.358 3.067 50 5 DGBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](c2ccco2)C1 ZINC000095395479 185352653 /nfs/dbraw/zinc/35/26/53/185352653.db2.gz 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/nfs/dbraw/zinc/67/36/77/180673677.db2.gz JJHMHLVFWHXKEK-UHFFFAOYSA-N 0 0 301.298 3.303 50 5 DGBARN Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000038888 180674787 /nfs/dbraw/zinc/67/47/87/180674787.db2.gz OTMOUJIZCCZRQW-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN CC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000193218 180721065 /nfs/dbraw/zinc/72/10/65/180721065.db2.gz PXQXVVLXSWFXLW-UHFFFAOYSA-N 0 0 313.313 3.114 50 5 DGBARN O=C1c2ccccc2C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000001748596 180894286 /nfs/dbraw/zinc/89/42/86/180894286.db2.gz WAMRZMCVPPEDRA-UHFFFAOYSA-N 0 0 316.700 3.044 50 5 DGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002897374 180968268 /nfs/dbraw/zinc/96/82/68/180968268.db2.gz DMOAXMOWUKCSTD-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN CN(C(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000003416206 181016813 /nfs/dbraw/zinc/01/68/13/181016813.db2.gz ZCFORRQPGOJYJN-UHFFFAOYSA-N 0 0 320.732 3.290 50 5 DGBARN Cc1cccc(OCCOC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000003448137 181021426 /nfs/dbraw/zinc/02/14/26/181021426.db2.gz UPJXRTBXYWOYIE-UHFFFAOYSA-N 0 0 315.325 3.447 50 5 DGBARN Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003879024 181051311 /nfs/dbraw/zinc/05/13/11/181051311.db2.gz ILLWCOJYYMIEKF-UHFFFAOYSA-N 0 0 315.245 3.091 50 5 DGBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000003894929 181053717 /nfs/dbraw/zinc/05/37/17/181053717.db2.gz XKHIRIOAJTWPCC-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCc1ccccc1 ZINC000004046647 181066470 /nfs/dbraw/zinc/06/64/70/181066470.db2.gz QSMANPQWMAPYKO-UHFFFAOYSA-N 0 0 313.357 3.044 50 5 DGBARN CCOC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003913741 181058094 /nfs/dbraw/zinc/05/80/94/181058094.db2.gz BKWSCURTPBKAMU-UHFFFAOYSA-N 0 0 300.314 3.384 50 5 DGBARN Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 ZINC000004094418 181072881 /nfs/dbraw/zinc/07/28/81/181072881.db2.gz JOYMQHUGMHBYTM-UHFFFAOYSA-N 0 0 324.292 3.262 50 5 DGBARN CCOc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004070521 181069998 /nfs/dbraw/zinc/06/99/98/181069998.db2.gz KTWKANCBRZUYIM-UHFFFAOYSA-N 0 0 316.313 3.011 50 5 DGBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000004299728 181094579 /nfs/dbraw/zinc/09/45/79/181094579.db2.gz SLCPOMCHBJXWIR-UHFFFAOYSA-N 0 0 301.258 3.064 50 5 DGBARN Cc1c(Br)c(N)c(C)c([N+](=O)[O-])c1Br ZINC000004532567 181120832 /nfs/dbraw/zinc/12/08/32/181120832.db2.gz ZRBJHVGYEOQHGS-UHFFFAOYSA-N 0 0 323.972 3.319 50 5 DGBARN Cc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000004551445 181124064 /nfs/dbraw/zinc/12/40/64/181124064.db2.gz NDBCSAGWCBHMJB-UHFFFAOYSA-N 0 0 315.354 3.030 50 5 DGBARN O=C(CSc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004564176 181125410 /nfs/dbraw/zinc/12/54/10/181125410.db2.gz BMAYNABZNAOYFH-UHFFFAOYSA-N 0 0 306.318 3.465 50 5 DGBARN O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000004660705 181133622 /nfs/dbraw/zinc/13/36/22/181133622.db2.gz DHUAFERZEHBFJG-UHFFFAOYSA-N 0 0 317.389 3.211 50 5 DGBARN CCOC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O ZINC000004759626 181149234 /nfs/dbraw/zinc/14/92/34/181149234.db2.gz PPVBRJYVSJADEO-UHFFFAOYSA-N 0 0 312.281 3.375 50 5 DGBARN O=[N+]([O-])c1nn(Cc2cccc(Cl)c2)cc1Br ZINC000004837938 181159983 /nfs/dbraw/zinc/15/99/83/181159983.db2.gz MJRBAZQURXMPAA-UHFFFAOYSA-N 0 0 316.542 3.256 50 5 DGBARN CCOc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000004845288 181162392 /nfs/dbraw/zinc/16/23/92/181162392.db2.gz OUDWXWPEMJCHPB-UHFFFAOYSA-N 0 0 304.277 3.385 50 5 DGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccs1 ZINC000004904074 181170833 /nfs/dbraw/zinc/17/08/33/181170833.db2.gz WJKLEBYPHLKQBF-FNORWQNLSA-N 0 0 304.327 3.317 50 5 DGBARN CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000004870244 181167402 /nfs/dbraw/zinc/16/74/02/181167402.db2.gz KOQDYJVVHPKPJP-UHFFFAOYSA-N 0 0 300.314 3.418 50 5 DGBARN O=C(CSc1ccsc1[N+](=O)[O-])NCCc1ccccc1 ZINC000005035970 181194492 /nfs/dbraw/zinc/19/44/92/181194492.db2.gz QRUFTJZICJLMNO-UHFFFAOYSA-N 0 0 322.411 3.107 50 5 DGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCCCC1 ZINC000005107666 181204476 /nfs/dbraw/zinc/20/44/76/181204476.db2.gz RUQUCDGWQVVAEQ-ZDUSSCGKSA-N 0 0 318.373 3.369 50 5 DGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CCCC1 ZINC000005118601 181204951 /nfs/dbraw/zinc/20/49/51/181204951.db2.gz DGOBOMPZGSBWTE-VIFPVBQESA-N 0 0 312.753 3.074 50 5 DGBARN O=[N+]([O-])c1ccc(N2CCC(Nc3ccccc3F)CC2)cn1 ZINC000078370517 191854183 /nfs/dbraw/zinc/85/41/83/191854183.db2.gz PWZPJDSICAVCCS-UHFFFAOYSA-N 0 0 316.336 3.210 50 5 DGBARN CO[C@@H](C(=O)Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000078551821 191884584 /nfs/dbraw/zinc/88/45/84/191884584.db2.gz MDGAPEXWRPTJES-CQSZACIVSA-N 0 0 304.277 3.060 50 5 DGBARN O=[N+]([O-])c1ccccc1CCNc1ncnc2cccc(F)c21 ZINC000078454412 191864980 /nfs/dbraw/zinc/86/49/80/191864980.db2.gz ASVYCFRCUQJFNB-UHFFFAOYSA-N 0 0 312.304 3.332 50 5 DGBARN Nc1nc(Oc2ccc(-c3ccccc3)cc2)ncc1[N+](=O)[O-] ZINC000078467280 191866247 /nfs/dbraw/zinc/86/62/47/191866247.db2.gz YCNHTEWJYOZQMS-UHFFFAOYSA-N 0 0 308.297 3.426 50 5 DGBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005172819 181213143 /nfs/dbraw/zinc/21/31/43/181213143.db2.gz ZLYNLUDWUGPHEU-ZSOIEALJSA-N 0 0 312.256 3.078 50 5 DGBARN N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1 ZINC000004141322 283278894 /nfs/dbraw/zinc/27/88/94/283278894.db2.gz MPUNTLMLEFNREM-UHFFFAOYSA-N 0 0 309.281 3.073 50 5 DGBARN CC(=O)c1csc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000170592260 432072705 /nfs/dbraw/zinc/07/27/05/432072705.db2.gz ZNTZHQAKBGGROC-UHFFFAOYSA-N 0 0 304.327 3.420 50 5 DGBARN CCO[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000170637124 432074703 /nfs/dbraw/zinc/07/47/03/432074703.db2.gz KZZLWUOGZRVWMP-NWDGAFQWSA-N 0 0 313.785 3.283 50 5 DGBARN CCn1nc(C)c(CNc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000089300197 192762191 /nfs/dbraw/zinc/76/21/91/192762191.db2.gz VKSKZGUHGZPAKW-UHFFFAOYSA-N 0 0 304.350 3.049 50 5 DGBARN Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000006060845 181309534 /nfs/dbraw/zinc/30/95/34/181309534.db2.gz OOOXUNJONYBIOA-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN Cc1cccc(NC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000006585416 181358007 /nfs/dbraw/zinc/35/80/07/181358007.db2.gz RHPKZHVLJYUGGK-UHFFFAOYSA-N 0 0 314.345 3.137 50 5 DGBARN O=[N+]([O-])c1cccc(-c2csc(NC[C@@H]3CCCO3)n2)c1 ZINC000006784407 181387711 /nfs/dbraw/zinc/38/77/11/181387711.db2.gz PWQGEUSAGYNNOV-LBPRGKRZSA-N 0 0 305.359 3.309 50 5 DGBARN CCOc1ccc(C(C)=O)cc1COc1cccnc1[N+](=O)[O-] ZINC000007044911 181433530 /nfs/dbraw/zinc/43/35/30/181433530.db2.gz TYPSIMRPMRVMTK-UHFFFAOYSA-N 0 0 316.313 3.170 50 5 DGBARN CCN(CC)C(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000007186664 181444168 /nfs/dbraw/zinc/44/41/68/181444168.db2.gz GSXORYURPPCRQT-UHFFFAOYSA-N 0 0 314.345 3.215 50 5 DGBARN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000097236401 284275782 /nfs/dbraw/zinc/27/57/82/284275782.db2.gz WGLKVCQDDHYDBD-UHFFFAOYSA-N 0 0 311.219 3.261 50 5 DGBARN O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013809766 181899757 /nfs/dbraw/zinc/89/97/57/181899757.db2.gz XJJZSDLAPMFASY-VJSUNBITSA-N 0 0 320.304 3.496 50 5 DGBARN COc1ccccc1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000015472079 182003887 /nfs/dbraw/zinc/00/38/87/182003887.db2.gz RXHSLMVSRLMHOD-LBPRGKRZSA-N 0 0 314.341 3.023 50 5 DGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)C1CC1 ZINC000016499780 182047342 /nfs/dbraw/zinc/04/73/42/182047342.db2.gz UURSXDUFMDHGRG-UHFFFAOYSA-N 0 0 312.329 3.186 50 5 DGBARN CC[C@@H](c1nc(-c2cccs2)no1)n1nc([N+](=O)[O-])cc1C ZINC000017054890 182072946 /nfs/dbraw/zinc/07/29/46/182072946.db2.gz ZJXUNVHDOIYAOB-VIFPVBQESA-N 0 0 319.346 3.211 50 5 DGBARN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020048445 182183919 /nfs/dbraw/zinc/18/39/19/182183919.db2.gz GXVZTMMIMZRIEE-NSHDSACASA-N 0 0 300.314 3.094 50 5 DGBARN CC(C)Oc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000020108131 182187673 /nfs/dbraw/zinc/18/76/73/182187673.db2.gz ZYJMCZFLYBGBIM-UHFFFAOYSA-N 0 0 314.341 3.312 50 5 DGBARN CCNc1ccc(-c2noc(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000020894332 182252329 /nfs/dbraw/zinc/25/23/29/182252329.db2.gz VGQMGOROFWKLOK-UHFFFAOYSA-N 0 0 311.301 3.139 50 5 DGBARN COC(=O)c1cc(-c2ccc(F)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000097757076 193754733 /nfs/dbraw/zinc/75/47/33/193754733.db2.gz HISYKLSCQYLJBQ-UHFFFAOYSA-N 0 0 305.261 3.196 50 5 DGBARN CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000024664845 182386519 /nfs/dbraw/zinc/38/65/19/182386519.db2.gz CPFXXJNGFXBOEE-UHFFFAOYSA-N 0 0 318.760 3.449 50 5 DGBARN O=[N+]([O-])c1cc(Cl)ccc1OCc1noc(-c2ccco2)n1 ZINC000031708848 182620783 /nfs/dbraw/zinc/62/07/83/182620783.db2.gz SBIQDEHNBOMKEL-UHFFFAOYSA-N 0 0 321.676 3.470 50 5 DGBARN Cc1cccc(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000048363756 183651427 /nfs/dbraw/zinc/65/14/27/183651427.db2.gz 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O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1c1ccncc1 ZINC000270902935 432300154 /nfs/dbraw/zinc/30/01/54/432300154.db2.gz FYQFSHUGLLDEOQ-GFCCVEGCSA-N 0 0 304.737 3.380 50 5 DGBARN COc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000102517805 431994565 /nfs/dbraw/zinc/99/45/65/431994565.db2.gz NTRJDJODNVEKAR-SAPNQHFASA-N 0 0 312.281 3.288 50 5 DGBARN CC1CCN(c2ccc(C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000006910269 281838411 /nfs/dbraw/zinc/83/84/11/281838411.db2.gz OLHIKHDOWGSBRT-UHFFFAOYSA-N 0 0 317.389 3.067 50 5 DGBARN CC[C@](C)(NC(=O)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000096416628 288398380 /nfs/dbraw/zinc/39/83/80/288398380.db2.gz MSCYLPSYLYSIBC-AWEZNQCLSA-N 0 0 305.359 3.107 50 5 DGBARN CC(C)C[C@@H](C)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000225572164 432694414 /nfs/dbraw/zinc/69/44/14/432694414.db2.gz UCWHUAYIQFLYIW-SECBINFHSA-N 0 0 317.183 3.201 50 5 DGBARN O=C(C1CCC(F)(F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000225521989 432694484 /nfs/dbraw/zinc/69/44/84/432694484.db2.gz 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CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000074647968 185005634 /nfs/dbraw/zinc/00/56/34/185005634.db2.gz DGWJJYZWLIOUFN-UHFFFAOYSA-N 0 0 318.398 3.293 50 5 DGBARN O=[N+]([O-])c1ccccc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000079021952 185147141 /nfs/dbraw/zinc/14/71/41/185147141.db2.gz BSVHCEDOIHPBNZ-OAHLLOKOSA-N 0 0 320.389 3.149 50 5 DGBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccnc1 ZINC000096926011 185391956 /nfs/dbraw/zinc/39/19/56/185391956.db2.gz NIQMKBFHAIKJRI-ZBTGYSDGSA-N 0 0 323.352 3.367 50 5 DGBARN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1CCC[C@H]1O ZINC000095437097 185365246 /nfs/dbraw/zinc/36/52/46/185365246.db2.gz RFRABLISFHDZQD-IINYFYTJSA-N 0 0 321.764 3.369 50 5 DGBARN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@H]1CCC[C@@H]1O ZINC000095437096 185365313 /nfs/dbraw/zinc/36/53/13/185365313.db2.gz RFRABLISFHDZQD-YGRLFVJLSA-N 0 0 321.764 3.369 50 5 DGBARN O=[N+]([O-])c1ccc(OCCCn2ncc3c2CCCC3)cc1 ZINC000097022311 185398574 /nfs/dbraw/zinc/39/85/74/185398574.db2.gz 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282774192 /nfs/dbraw/zinc/77/41/92/282774192.db2.gz AOJJITMVTIMNNL-UHFFFAOYSA-N 0 0 316.336 3.151 50 5 DGBARN COc1ccc2c3ccc(OC(=O)C4CC4)cc3oc(=O)c2c1 ZINC000000091093 180689485 /nfs/dbraw/zinc/68/94/85/180689485.db2.gz KXLQSVMVWTXVBR-UHFFFAOYSA-N 0 0 310.305 3.270 50 5 DGBARN CCOc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002984042 180974188 /nfs/dbraw/zinc/97/41/88/180974188.db2.gz VMTQYIBVWDSQAA-UHFFFAOYSA-N 0 0 303.314 3.451 50 5 DGBARN CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003877461 181051336 /nfs/dbraw/zinc/05/13/36/181051336.db2.gz NJPUKCQSRUPVHQ-UHFFFAOYSA-N 0 0 316.273 3.205 50 5 DGBARN Cc1nc([N+](=O)[O-])c(N2CCCCC2)n1Cc1ccccc1 ZINC000003832884 181048097 /nfs/dbraw/zinc/04/80/97/181048097.db2.gz UIVGQKYNHQZRMG-UHFFFAOYSA-N 0 0 300.362 3.138 50 5 DGBARN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004039924 181065768 /nfs/dbraw/zinc/06/57/68/181065768.db2.gz DGNVHLCEWYAURP-UHFFFAOYSA-N 0 0 300.314 3.229 50 5 DGBARN Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1[N+](=O)[O-] ZINC000004013428 181062311 /nfs/dbraw/zinc/06/23/11/181062311.db2.gz DGAASIGDRADXEK-UHFFFAOYSA-N 0 0 315.245 3.091 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccs1 ZINC000004104336 181073556 /nfs/dbraw/zinc/07/35/56/181073556.db2.gz PHVBIWGOBOCOLM-UHFFFAOYSA-N 0 0 321.383 3.092 50 5 DGBARN O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004366714 181102307 /nfs/dbraw/zinc/10/23/07/181102307.db2.gz HTOLGGNSOCNPBR-UHFFFAOYSA-N 0 0 302.290 3.027 50 5 DGBARN O=C(Nc1ccc2n[nH]cc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000004552374 181123991 /nfs/dbraw/zinc/12/39/91/181123991.db2.gz PRMOGLTWXKVGRS-UHFFFAOYSA-N 0 0 315.264 3.254 50 5 DGBARN O=c1oc2ccccc2c(NCc2ccccc2F)c1[N+](=O)[O-] ZINC000004573300 181126153 /nfs/dbraw/zinc/12/61/53/181126153.db2.gz HCELFFYCWWCFFU-UHFFFAOYSA-N 0 0 314.272 3.452 50 5 DGBARN Fc1ccccc1-c1nc2nonc2c2nc3ccccc3n21 ZINC000004629486 283028032 /nfs/dbraw/zinc/02/80/32/283028032.db2.gz 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/nfs/dbraw/zinc/16/84/90/181168490.db2.gz UWDHEVGGPCZBIY-UHFFFAOYSA-N 0 0 311.297 3.041 50 5 DGBARN COc1ccc(C(C)=O)cc1COc1ccc(C)nc1[N+](=O)[O-] ZINC000004891785 181168878 /nfs/dbraw/zinc/16/88/78/181168878.db2.gz YEJOLXCQRMEEKU-UHFFFAOYSA-N 0 0 316.313 3.088 50 5 DGBARN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004907436 181171615 /nfs/dbraw/zinc/17/16/15/181171615.db2.gz AUMSCPGERKJQOK-SNVBAGLBSA-N 0 0 304.277 3.140 50 5 DGBARN O=[N+]([O-])c1cnn(CCSc2nnc(C3CCCCC3)o2)c1 ZINC000074783145 191360717 /nfs/dbraw/zinc/36/07/17/191360717.db2.gz RTYCTAPCKVACSR-UHFFFAOYSA-N 0 0 323.378 3.014 50 5 DGBARN Cc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000004980342 181183653 /nfs/dbraw/zinc/18/36/53/181183653.db2.gz LFRCRYQDIWKWTM-UHFFFAOYSA-N 0 0 320.370 3.321 50 5 DGBARN Cc1ccc(NC(=S)NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005041469 181195570 /nfs/dbraw/zinc/19/55/70/181195570.db2.gz MNZVXFUGMMXAGD-UHFFFAOYSA-N 0 0 315.398 3.432 50 5 DGBARN Cc1ccc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000005322879 181229871 /nfs/dbraw/zinc/22/98/71/181229871.db2.gz UEYCPPADWNIXET-UHFFFAOYSA-N 0 0 312.285 3.279 50 5 DGBARN O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)c([N+](=O)[O-])c1 ZINC000005670921 181270209 /nfs/dbraw/zinc/27/02/09/181270209.db2.gz WDCQDDNCBAIFEI-UHFFFAOYSA-N 0 0 315.694 3.192 50 5 DGBARN Cc1cccc(C2N=NC(=S)N2c2ccccc2)c1[N+](=O)[O-] ZINC000005687824 181272769 /nfs/dbraw/zinc/27/27/69/181272769.db2.gz TVNYNMOYWJLTCZ-UHFFFAOYSA-N 0 0 312.354 3.440 50 5 DGBARN O=[N+]([O-])c1cccc(CCNc2ncnc3cccc(F)c32)c1 ZINC000170590974 432072992 /nfs/dbraw/zinc/07/29/92/432072992.db2.gz CHSFCFXXOSXHJN-UHFFFAOYSA-N 0 0 312.304 3.332 50 5 DGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005979368 181303486 /nfs/dbraw/zinc/30/34/86/181303486.db2.gz LQNNXZWJGYGFGS-UHFFFAOYSA-N 0 0 320.370 3.118 50 5 DGBARN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006061756 181309747 /nfs/dbraw/zinc/30/97/47/181309747.db2.gz SBNAZYBUFLPQHY-UHFFFAOYSA-N 0 0 300.314 3.027 50 5 DGBARN O=C(O[C@@H]1C=CCCC=CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006091089 181312136 /nfs/dbraw/zinc/31/21/36/181312136.db2.gz XILVNCHRNLBBKU-AWEZNQCLSA-N 0 0 318.285 3.325 50 5 DGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccn1 ZINC000006255588 181323596 /nfs/dbraw/zinc/32/35/96/181323596.db2.gz CLDXWDDINOMBGR-UHFFFAOYSA-N 0 0 303.343 3.029 50 5 DGBARN COc1ccc([C@@H](C)Nc2cc(N)ccc2[N+](=O)[O-])cc1F ZINC000193463760 201057234 /nfs/dbraw/zinc/05/72/34/201057234.db2.gz DZPJHLTULQIMOO-SECBINFHSA-N 0 0 305.309 3.498 50 5 DGBARN CCn1ncc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc21 ZINC000194676777 201271230 /nfs/dbraw/zinc/27/12/30/201271230.db2.gz BRVAFIQXDDSNQW-UHFFFAOYSA-N 0 0 324.340 3.146 50 5 DGBARN Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000006520591 181348484 /nfs/dbraw/zinc/34/84/84/181348484.db2.gz UZBACBWFGXOLJT-UHFFFAOYSA-N 0 0 303.343 3.101 50 5 DGBARN O=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000006997501 181430743 /nfs/dbraw/zinc/43/07/43/181430743.db2.gz TUHNTFOGVPTCOQ-UHFFFAOYSA-N 0 0 308.696 3.317 50 5 DGBARN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Nc1ccccc1[N+](=O)[O-])C2 ZINC000261508117 203073100 /nfs/dbraw/zinc/07/31/00/203073100.db2.gz PWUDSGZDTUJUSB-CLLJXQQHSA-N 0 0 319.361 3.159 50 5 DGBARN Cc1cccc(C(=O)OCCOc2ccccc2F)c1[N+](=O)[O-] ZINC000007814746 181500337 /nfs/dbraw/zinc/50/03/37/181500337.db2.gz MBGYWFCZUMWLSQ-UHFFFAOYSA-N 0 0 319.288 3.278 50 5 DGBARN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C(C)C ZINC000008232197 181537625 /nfs/dbraw/zinc/53/76/25/181537625.db2.gz PRZCCAAIQUARPG-UHFFFAOYSA-N 0 0 317.345 3.251 50 5 DGBARN Cc1c(NC(=O)c2ccc3nsnc3c2)cccc1[N+](=O)[O-] ZINC000008072046 181524211 /nfs/dbraw/zinc/52/42/11/181524211.db2.gz ICLKJVFZQLJNRA-UHFFFAOYSA-N 0 0 314.326 3.160 50 5 DGBARN CSc1ccc(C(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-] ZINC000009314053 181613422 /nfs/dbraw/zinc/61/34/22/181613422.db2.gz XUJAGSYAGQPRPF-UHFFFAOYSA-N 0 0 303.343 3.272 50 5 DGBARN CC(C)C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000009668218 181634240 /nfs/dbraw/zinc/63/42/40/181634240.db2.gz BMOSIFQWQWAMEG-UHFFFAOYSA-N 0 0 305.359 3.237 50 5 DGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012656026 181786121 /nfs/dbraw/zinc/78/61/21/181786121.db2.gz SPPUUSBMEWWDHP-PBWFPOADSA-N 0 0 317.341 3.033 50 5 DGBARN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000000381538 284288641 /nfs/dbraw/zinc/28/86/41/284288641.db2.gz WHNVGOCGVSNNSR-UHFFFAOYSA-N 0 0 316.313 3.220 50 5 DGBARN CC[C@@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016246917 182038631 /nfs/dbraw/zinc/03/86/31/182038631.db2.gz POCJMMSJBXZOKD-TXEJJXNPSA-N 0 0 314.407 3.183 50 5 DGBARN COc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000017054168 182071964 /nfs/dbraw/zinc/07/19/64/182071964.db2.gz HGLDEJLFCOKQNZ-UHFFFAOYSA-N 0 0 317.301 3.256 50 5 DGBARN COc1ccccc1CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000019163754 182106881 /nfs/dbraw/zinc/10/68/81/182106881.db2.gz GMAPFMVYLOCWRN-UHFFFAOYSA-N 0 0 314.341 3.401 50 5 DGBARN O=C(NCCc1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020020440 182179015 /nfs/dbraw/zinc/17/90/15/182179015.db2.gz XQWLJAAWQHFBIX-UHFFFAOYSA-N 0 0 310.762 3.282 50 5 DGBARN O=C(Nc1nc2c(cccc2F)s1)c1ccc([N+](=O)[O-])o1 ZINC000002723798 284417123 /nfs/dbraw/zinc/41/71/23/284417123.db2.gz MKONSXYWPKWQTQ-UHFFFAOYSA-N 0 0 307.262 3.189 50 5 DGBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccccc1 ZINC000022887064 182339368 /nfs/dbraw/zinc/33/93/68/182339368.db2.gz YZQFRLIHMQVLCY-MRXNPFEDSA-N 0 0 320.776 3.414 50 5 DGBARN CC(C)N(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000098012890 193773891 /nfs/dbraw/zinc/77/38/91/193773891.db2.gz AMKIVCLTZNYBFJ-FPLPWBNLSA-N 0 0 318.373 3.024 50 5 DGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024894460 182394137 /nfs/dbraw/zinc/39/41/37/182394137.db2.gz RMGIKVGMGPKXCX-UHFFFAOYSA-N 0 0 322.324 3.166 50 5 DGBARN CC(C)c1ccc(-c2noc(Cn3cnc([N+](=O)[O-])c3)n2)cc1 ZINC000025451674 182415753 /nfs/dbraw/zinc/41/57/53/182415753.db2.gz ROPXBYFABLNXAM-UHFFFAOYSA-N 0 0 313.317 3.013 50 5 DGBARN O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3C2)c(F)c1 ZINC000032923324 182681237 /nfs/dbraw/zinc/68/12/37/182681237.db2.gz XCYLNXHESPZTMZ-LLVKDONJSA-N 0 0 302.305 3.397 50 5 DGBARN CC(=O)c1ccc(-n2nncc2-c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000032936402 182683176 /nfs/dbraw/zinc/68/31/76/182683176.db2.gz UYTCERYBAGGRGU-UHFFFAOYSA-N 0 0 322.324 3.354 50 5 DGBARN Cc1ccc(C(=O)NCCSC2CCCC2)cc1[N+](=O)[O-] ZINC000040082575 183031848 /nfs/dbraw/zinc/03/18/48/183031848.db2.gz ALOYXJPQELEVGI-UHFFFAOYSA-N 0 0 308.403 3.309 50 5 DGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(F)cc1 ZINC000040095746 183034273 /nfs/dbraw/zinc/03/42/73/183034273.db2.gz LQQJKHFFSKUURN-UHFFFAOYSA-N 0 0 303.293 3.364 50 5 DGBARN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000040116554 183037325 /nfs/dbraw/zinc/03/73/25/183037325.db2.gz UWBBQFUEGLTWSQ-UHFFFAOYSA-N 0 0 318.304 3.166 50 5 DGBARN O=[N+]([O-])c1ccc(CCNc2ncnc3sccc32)cc1 ZINC000040676211 183116598 /nfs/dbraw/zinc/11/65/98/183116598.db2.gz QBMRWXDBLBJCRG-UHFFFAOYSA-N 0 0 300.343 3.254 50 5 DGBARN Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000041156525 183179320 /nfs/dbraw/zinc/17/93/20/183179320.db2.gz LBGVXUGRUUUUTG-UHFFFAOYSA-N 0 0 314.341 3.020 50 5 DGBARN C[C@H](NC(=O)N(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000058169374 184083899 /nfs/dbraw/zinc/08/38/99/184083899.db2.gz KFEZHUCNGDLDDM-NSHDSACASA-N 0 0 303.318 3.090 50 5 DGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(F)cc1 ZINC000002891515 284944599 /nfs/dbraw/zinc/94/45/99/284944599.db2.gz DDIQNAKAVZNLPT-NTEUORMPSA-N 0 0 312.256 3.078 50 5 DGBARN O=C1c2cccc(Cl)c2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000003100090 285017646 /nfs/dbraw/zinc/01/76/46/285017646.db2.gz BHJHRUVEFYGJHI-UHFFFAOYSA-N 0 0 302.673 3.049 50 5 DGBARN O=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl ZINC000000041110 285021652 /nfs/dbraw/zinc/02/16/52/285021652.db2.gz CRAINYVWWAWUGM-UHFFFAOYSA-N 0 0 302.673 3.049 50 5 DGBARN O=[N+]([O-])c1cccnc1N1CCC(OCc2ccccc2)CC1 ZINC000040477333 134712574 /nfs/dbraw/zinc/71/25/74/134712574.db2.gz RAUCIKYWWYLZOV-UHFFFAOYSA-N 0 0 313.357 3.175 50 5 DGBARN C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000066547067 400097948 /nfs/dbraw/zinc/09/79/48/400097948.db2.gz NPUPOEAYJOHOJW-LLVKDONJSA-N 0 0 304.346 3.150 50 5 DGBARN CCOC(=O)c1cc2occc2n1Cc1ccccc1[N+](=O)[O-] ZINC000019928500 400187753 /nfs/dbraw/zinc/18/77/53/400187753.db2.gz LKZSBPMYDAYCHA-UHFFFAOYSA-N 0 0 314.297 3.368 50 5 DGBARN CC(=O)Nc1cc2c([N+](=O)[O-])cc1CCc1ccc(cc1)CC2 ZINC000019893909 400188260 /nfs/dbraw/zinc/18/82/60/400188260.db2.gz XIBKTWAKUVXALE-UHFFFAOYSA-N 0 0 310.353 3.437 50 5 DGBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccncc1 ZINC000097380033 400286933 /nfs/dbraw/zinc/28/69/33/400286933.db2.gz WPYZVISWMQQSOY-GFCCVEGCSA-N 0 0 314.345 3.489 50 5 DGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cncn2)c1 ZINC000075091869 400558304 /nfs/dbraw/zinc/55/83/04/400558304.db2.gz XSTUVKCCEBTIMH-LBPRGKRZSA-N 0 0 309.329 3.349 50 5 DGBARN COc1cccc2c1CC[C@@H]1C2=NN[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000075252071 400566930 /nfs/dbraw/zinc/56/69/30/400566930.db2.gz AAJXYRONQJAEBZ-DOTOQJQBSA-N 0 0 323.352 3.214 50 5 DGBARN CC(=O)N(C)c1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000076061814 400630876 /nfs/dbraw/zinc/63/08/76/400630876.db2.gz ZKGLNHDWSFQDFL-UHFFFAOYSA-N 0 0 305.359 3.251 50 5 DGBARN O=[N+]([O-])c1ccc(NCCO)c(NCCCC2CCCC2)c1 ZINC000079074828 400845546 /nfs/dbraw/zinc/84/55/46/400845546.db2.gz CUAHLPNZFLZUTG-UHFFFAOYSA-N 0 0 307.394 3.381 50 5 DGBARN Cc1nn(C)c(N[C@@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] ZINC000079887249 400904499 /nfs/dbraw/zinc/90/44/99/400904499.db2.gz RZLMNDQUEIOSDL-LLVKDONJSA-N 0 0 322.365 3.425 50 5 DGBARN NC(=O)c1c(Cl)cccc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000172941298 228277467 /nfs/dbraw/zinc/27/74/67/228277467.db2.gz CMBBTSOOYQCKFL-UHFFFAOYSA-N 0 0 323.711 3.098 50 5 DGBARN O=c1ccn(Cc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000174098929 228287086 /nfs/dbraw/zinc/28/70/86/228287086.db2.gz YOJXETRCNBUNGO-UHFFFAOYSA-N 0 0 315.716 3.006 50 5 DGBARN O=[N+]([O-])c1cc(Cl)ccc1NCc1cn2c(n1)SCC2 ZINC000408516819 229626207 /nfs/dbraw/zinc/62/62/07/229626207.db2.gz JHMAMZFYAIDLLE-UHFFFAOYSA-N 0 0 310.766 3.163 50 5 DGBARN Cn1c(-c2ccccc2)cnc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000819492 425571828 /nfs/dbraw/zinc/57/18/28/425571828.db2.gz CSEBMDAAPZFPDZ-UHFFFAOYSA-N 0 0 322.324 3.248 50 5 DGBARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc([N+](=O)[O-])o1 ZINC000004486911 425619307 /nfs/dbraw/zinc/61/93/07/425619307.db2.gz KNNHKMUNFQGQMK-UHFFFAOYSA-N 0 0 307.262 3.189 50 5 DGBARN CN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009368950 273899496 /nfs/dbraw/zinc/89/94/96/273899496.db2.gz SUSIDRHWPKACCI-UHFFFAOYSA-N 0 0 323.702 3.019 50 5 DGBARN CCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004311113 276057135 /nfs/dbraw/zinc/05/71/35/276057135.db2.gz CBBWSPNQQMUUOO-UHFFFAOYSA-N 0 0 309.325 3.246 50 5 DGBARN COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NCC2 ZINC000000068239 277393434 /nfs/dbraw/zinc/39/34/34/277393434.db2.gz CQIOJOVNMUOUTO-UHFFFAOYSA-N 0 0 312.325 3.006 50 5 DGBARN Nc1ccccc1S[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000000100738 431126342 /nfs/dbraw/zinc/12/63/42/431126342.db2.gz GOZMYDAYGPERLQ-OAHLLOKOSA-N 0 0 318.354 3.108 50 5 in-vitro DGBARN Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000000038873 431114817 /nfs/dbraw/zinc/11/48/17/431114817.db2.gz QPXFRASVUOCLKD-UHFFFAOYSA-N 0 0 304.277 3.060 50 5 DGBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc21 ZINC000000043171 431115227 /nfs/dbraw/zinc/11/52/27/431115227.db2.gz QVIYFEDPSUIXEY-UHFFFAOYSA-N 0 0 302.717 3.451 50 5 DGBARN COc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC ZINC000000140308 431132906 /nfs/dbraw/zinc/13/29/06/431132906.db2.gz PCCRDMCQSCHCTK-QGZVFWFLSA-N 0 0 313.309 3.455 50 5 DGBARN Cc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000008587101 279245406 /nfs/dbraw/zinc/24/54/06/279245406.db2.gz 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431686698 /nfs/dbraw/zinc/68/66/98/431686698.db2.gz WGEQYMJSZXMNJC-UHFFFAOYSA-N 0 0 302.305 3.478 50 5 DGBARN O=C(NCC1(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032889630 431798846 /nfs/dbraw/zinc/79/88/46/431798846.db2.gz OOLAWZBRWQPFMG-UHFFFAOYSA-N 0 0 311.341 3.448 50 5 DGBARN CC(=O)c1ccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000033280105 431812467 /nfs/dbraw/zinc/81/24/67/431812467.db2.gz NNEQPYHLUVSUGQ-YHYXMXQVSA-N 0 0 310.309 3.449 50 5 DGBARN O=C(Nc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000032466642 431780485 /nfs/dbraw/zinc/78/04/85/431780485.db2.gz MKQAHLCEBLLCIK-UHFFFAOYSA-N 0 0 322.324 3.092 50 5 DGBARN Cc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000032644158 431787643 /nfs/dbraw/zinc/78/76/43/431787643.db2.gz LZRBOCKQAZRUSW-ZDUSSCGKSA-N 0 0 314.341 3.447 50 5 DGBARN Cc1ccc(-c2csc(NC(=O)[C@H]3CC3[N+](=O)[O-])n2)cc1C ZINC000040114728 431857163 /nfs/dbraw/zinc/85/71/63/431857163.db2.gz OSHGPOJUTLYKSU-WCQYABFASA-N 0 0 317.370 3.031 50 5 DGBARN Cc1cc(F)cc(C(=O)NCCCOC2CCCC2)c1[N+](=O)[O-] ZINC000089587347 431871607 /nfs/dbraw/zinc/87/16/07/431871607.db2.gz SSMNYERQABYVTL-UHFFFAOYSA-N 0 0 324.352 3.121 50 5 DGBARN COc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000034929216 431821365 /nfs/dbraw/zinc/82/13/65/431821365.db2.gz WQTVHQWYARUXQA-UHFFFAOYSA-N 0 0 321.716 3.496 50 5 DGBARN Cc1nn(C[C@@H](O)c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000044260939 431873064 /nfs/dbraw/zinc/87/30/64/431873064.db2.gz AWWPCOFABGJJNR-OAHLLOKOSA-N 0 0 303.362 3.265 50 5 DGBARN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000048275221 431922250 /nfs/dbraw/zinc/92/22/50/431922250.db2.gz OHQWMUYPZBUFPI-UHFFFAOYSA-N 0 0 310.313 3.281 50 5 DGBARN COCCn1c(C)c(C)nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000046028976 431893165 /nfs/dbraw/zinc/89/31/65/431893165.db2.gz XNLHQLXJGPXOHF-UHFFFAOYSA-N 0 0 321.402 3.347 50 5 DGBARN Cc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000004775708 280932640 /nfs/dbraw/zinc/93/26/40/280932640.db2.gz FMQFWJMJTOKIET-UHFFFAOYSA-N 0 0 320.370 3.321 50 5 DGBARN CCOC(=O)[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000055292333 431979735 /nfs/dbraw/zinc/97/97/35/431979735.db2.gz FRFAJJXCQRURMU-MNDMWVCDSA-N 0 0 318.373 3.026 50 5 DGBARN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N(C)CC1CCC(C)CC1 ZINC000095986870 431931318 /nfs/dbraw/zinc/93/13/18/431931318.db2.gz NKTNDJCSIRKGCW-UHFFFAOYSA-N 0 0 322.409 3.018 50 5 DGBARN CS(=O)(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000096410287 431946142 /nfs/dbraw/zinc/94/61/42/431946142.db2.gz MEFUMIUCGWSPHT-UHFFFAOYSA-N 0 0 309.368 3.150 50 5 DGBARN CC(C)N(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000096418777 431947691 /nfs/dbraw/zinc/94/76/91/431947691.db2.gz AMKIVCLTZNYBFJ-BQYQJAHWSA-N 0 0 318.373 3.024 50 5 DGBARN CC(=O)N(C)c1ccc(OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000096429047 431947886 /nfs/dbraw/zinc/94/78/86/431947886.db2.gz YAIMGRPAUHHEJD-UHFFFAOYSA-N 0 0 318.304 3.296 50 5 DGBARN CC(C)(NC(=O)CCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000096456507 431951763 /nfs/dbraw/zinc/95/17/63/431951763.db2.gz QDWQLCARMVOMGV-UHFFFAOYSA-N 0 0 302.330 3.172 50 5 DGBARN COc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000097083371 431960197 /nfs/dbraw/zinc/96/01/97/431960197.db2.gz JWLDBCVBNWXTPQ-UHFFFAOYSA-N 0 0 311.297 3.337 50 5 DGBARN O=[N+]([O-])c1c(F)cccc1NCc1nnc(C2CC2)n1C1CC1 ZINC000127073894 431963737 /nfs/dbraw/zinc/96/37/37/431963737.db2.gz PKCICKMLIGDBKE-UHFFFAOYSA-N 0 0 317.324 3.150 50 5 DGBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=Nc3ncnn32)c1 ZINC000101079466 431983540 /nfs/dbraw/zinc/98/35/40/431983540.db2.gz OFEBIQCKJGENBA-MRXNPFEDSA-N 0 0 319.324 3.242 50 5 DGBARN Cc1noc(C)c1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000055843225 431986662 /nfs/dbraw/zinc/98/66/62/431986662.db2.gz FSJBTMJWXULUDB-UHFFFAOYSA-N 0 0 313.260 3.413 50 5 DGBARN CCSc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000102832916 431998878 /nfs/dbraw/zinc/99/88/78/431998878.db2.gz YLLLLKVMXKOVJQ-UHFFFAOYSA-N 0 0 317.370 3.378 50 5 DGBARN COCc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)o1 ZINC000192533858 432385369 /nfs/dbraw/zinc/38/53/69/432385369.db2.gz HWNIYRLBYSHHJL-JTQLQIEISA-N 0 0 309.347 3.132 50 5 DGBARN O=[N+]([O-])c1ccccc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000253418236 432395222 /nfs/dbraw/zinc/39/52/22/432395222.db2.gz XLQOFFXQDYJYNI-UHFFFAOYSA-N 0 0 312.325 3.102 50 5 DGBARN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000153881477 432452800 /nfs/dbraw/zinc/45/28/00/432452800.db2.gz LBQMVKBOMYYNSP-CYBMUJFWSA-N 0 0 321.764 3.203 50 5 DGBARN CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000178101090 432694241 /nfs/dbraw/zinc/69/42/41/432694241.db2.gz XAQXOGRDARJYCV-QWHCGFSZSA-N 0 0 308.403 3.307 50 5 DGBARN Cc1cc(C(=O)N2CCSC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000279438461 432968209 /nfs/dbraw/zinc/96/82/09/432968209.db2.gz ZMRBPSOXJOWRFG-UHFFFAOYSA-N 0 0 308.403 3.261 50 5 DGBARN Cc1cc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(C)s1 ZINC000301913245 433793661 /nfs/dbraw/zinc/79/36/61/433793661.db2.gz HNGDPNWVXNYRCD-VIFPVBQESA-N 0 0 317.374 3.489 50 5 DGBARN COc1cc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000225579525 294994205 /nfs/dbraw/zinc/99/42/05/294994205.db2.gz SEPGCVNLAMZOMF-LZWOXQAQSA-N 0 0 320.389 3.123 50 5 DGBARN Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000408514935 434584949 /nfs/dbraw/zinc/58/49/49/434584949.db2.gz DESLIQKTKAOYET-UHFFFAOYSA-N 0 0 310.313 3.340 50 5 DGBARN Cc1cc(C)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000000439661 301184289 /nfs/dbraw/zinc/18/42/89/301184289.db2.gz PLSYOYMERCETIO-UHFFFAOYSA-N 0 0 310.309 3.321 50 5 DGBARN COc1ccc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000314191891 533729208 /nfs/dbraw/zinc/72/92/08/533729208.db2.gz OGCWPLSRLNGGJB-UHFFFAOYSA-N 0 0 301.298 3.385 50 5 DGBARN CSC[C@H](C)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000863947771 621720810 /nfs/dbraw/zinc/72/08/10/621720810.db2.gz GGYQLUXUXDXKBV-VIFPVBQESA-N 0 0 305.359 3.081 50 5 DGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1cccs1 ZINC000098006884 657719836 /nfs/dbraw/zinc/71/98/36/657719836.db2.gz UCYBHRAFRRSBIB-FPLPWBNLSA-N 0 0 302.355 3.328 50 5 DGBARN O=Cc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000312434 658385238 /nfs/dbraw/zinc/38/52/38/658385238.db2.gz GKYALHZQKDNTJQ-UHFFFAOYSA-N 0 0 305.673 3.280 50 5 DGBARN CCc1cnc(CN(C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000175521680 659923478 /nfs/dbraw/zinc/92/34/78/659923478.db2.gz GBCPCSRHDDKBJW-UHFFFAOYSA-N 0 0 309.366 3.385 50 5 DGBARN