smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 ZINC000083825408 192384495 /nfs/dbraw/zinc/38/44/95/192384495.db2.gz WENGAHUEUSCZLE-WFASDCNBSA-N 0 0 315.373 4.123 50 5 DIBARN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](c2ccco2)C1 ZINC000084697730 192457559 /nfs/dbraw/zinc/45/75/59/192457559.db2.gz PGAVGOWJMCKRTC-MFKMUULPSA-N 0 0 321.764 4.214 50 5 DIBARN CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000072277129 191098237 /nfs/dbraw/zinc/09/82/37/191098237.db2.gz DTFYXKLWFXLUQQ-JKSUJKDBSA-N 0 0 311.385 4.152 50 5 DIBARN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000000145498 180707590 /nfs/dbraw/zinc/70/75/90/180707590.db2.gz WDGBOCCIFICYOV-UHFFFAOYSA-N 0 0 323.757 4.186 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1CCCC2 ZINC000000190828 180720441 /nfs/dbraw/zinc/72/04/41/180720441.db2.gz BVBPAWHYSYVLCX-UHFFFAOYSA-N 0 0 320.348 4.117 50 5 DIBARN CC(C)(C)c1ccc(C(=O)CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000000221892 180731248 /nfs/dbraw/zinc/73/12/48/180731248.db2.gz GESRODRBJLFNSW-UHFFFAOYSA-N 0 0 312.369 4.187 50 5 DIBARN Cc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000000465770 180799520 /nfs/dbraw/zinc/79/95/20/180799520.db2.gz YNKGBPYUISJCPY-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000000472064 180801409 /nfs/dbraw/zinc/80/14/09/180801409.db2.gz OUYWRGWDHZPXDT-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CCOC(=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])o2)ccc1Cl ZINC000000620039 180831507 /nfs/dbraw/zinc/83/15/07/180831507.db2.gz WHKKVRBNPBHUIO-BQYQJAHWSA-N 0 0 321.716 4.024 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000001382878 180857499 /nfs/dbraw/zinc/85/74/99/180857499.db2.gz LZWKQUDNLNFCRK-CABCVRRESA-N 0 0 301.729 4.235 50 5 DIBARN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCCCC1 ZINC000002466272 180925830 /nfs/dbraw/zinc/92/58/30/180925830.db2.gz IUZDKDFILILOLL-UHFFFAOYSA-N 0 0 324.789 4.089 50 5 DIBARN COC(=O)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1 ZINC000003368131 181012367 /nfs/dbraw/zinc/01/23/67/181012367.db2.gz AQSQLSHCCBKEPB-UHFFFAOYSA-N 0 0 323.304 4.327 50 5 DIBARN CSc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000003449104 181021455 /nfs/dbraw/zinc/02/14/55/181021455.db2.gz NGSHKHGRHUBJAT-UHFFFAOYSA-N 0 0 316.382 4.186 50 5 DIBARN O=[N+]([O-])c1cc2oc(-c3ccc(F)cc3)cc2c([N+](=O)[O-])c1 ZINC000003618456 181041995 /nfs/dbraw/zinc/04/19/95/181041995.db2.gz FIUMYEATCQYFAF-UHFFFAOYSA-N 0 0 302.217 4.055 50 5 DIBARN Cc1ccc(O)c2nc(/C=C/c3ccccc3[N+](=O)[O-])ccc12 ZINC000003897147 181054145 /nfs/dbraw/zinc/05/41/45/181054145.db2.gz QKYTWGNDUUQSTQ-BQYQJAHWSA-N 0 0 306.321 4.327 50 5 DIBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1 ZINC000004141318 181078622 /nfs/dbraw/zinc/07/86/22/181078622.db2.gz XTKDUAIYNRDASR-UHFFFAOYSA-N 0 0 314.344 4.318 50 5 DIBARN Cc1nc2ccccc2c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000004240986 181087495 /nfs/dbraw/zinc/08/74/95/181087495.db2.gz OMOBIWIUFYEAQT-UHFFFAOYSA-N 0 0 311.366 4.139 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000004582809 181126795 /nfs/dbraw/zinc/12/67/95/181126795.db2.gz FMYJCMNWNPZSQB-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1ccc(/N=c2\ssnc2Cl)c2ccccc21 ZINC000004602264 181129260 /nfs/dbraw/zinc/12/92/60/181129260.db2.gz FZQITWFDVUPISP-OWBHPGMISA-N 0 0 323.786 4.152 50 5 DIBARN CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000004616575 181129696 /nfs/dbraw/zinc/12/96/96/181129696.db2.gz WCJZLOCMKSYSEN-ZDUSSCGKSA-N 0 0 318.760 4.381 50 5 DIBARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004695562 181137516 /nfs/dbraw/zinc/13/75/16/181137516.db2.gz IYVWAUPNGVVTEP-LFYBBSHMSA-N 0 0 310.353 4.370 50 5 DIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1 ZINC000004725323 181142916 /nfs/dbraw/zinc/14/29/16/181142916.db2.gz FTCHWCZQKJKTNC-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN CC(C)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776675 181151238 /nfs/dbraw/zinc/15/12/38/181151238.db2.gz KWJHCBDBQSORAG-UHFFFAOYSA-N 0 0 313.357 4.037 50 5 DIBARN Cc1cc(Cl)ccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004796033 181152999 /nfs/dbraw/zinc/15/29/99/181152999.db2.gz MHCCYLHDCFMCJR-UHFFFAOYSA-N 0 0 307.693 4.208 50 5 DIBARN Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000004839752 181160752 /nfs/dbraw/zinc/16/07/52/181160752.db2.gz CUZXYLYHRMEQJD-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN Cc1[nH]nc(Nc2ccc(C3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000004854647 181163952 /nfs/dbraw/zinc/16/39/52/181163952.db2.gz ZEJSSVFKGGIQIC-UHFFFAOYSA-N 0 0 300.362 4.418 50 5 DIBARN CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004865533 181165041 /nfs/dbraw/zinc/16/50/41/181165041.db2.gz SNVVJMWIRGOEBR-UHFFFAOYSA-N 0 0 314.385 4.021 50 5 DIBARN CCN(CC)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000004860533 181164296 /nfs/dbraw/zinc/16/42/96/181164296.db2.gz SFPJNXXUVKRYED-UHFFFAOYSA-N 0 0 322.368 4.051 50 5 DIBARN CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005421224 181241309 /nfs/dbraw/zinc/24/13/09/181241309.db2.gz XOGLBFUDOWUBEC-NSHDSACASA-N 0 0 312.797 4.194 50 5 DIBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000005869974 181291730 /nfs/dbraw/zinc/29/17/30/181291730.db2.gz WFGXEYVGDUHFIU-LBPRGKRZSA-N 0 0 324.336 4.035 50 5 DIBARN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000005937543 181298549 /nfs/dbraw/zinc/29/85/49/181298549.db2.gz NUFHVUNPFJFJLS-UHFFFAOYSA-N 0 0 315.760 4.384 50 5 DIBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000006061396 181309476 /nfs/dbraw/zinc/30/94/76/181309476.db2.gz ORZSTULFQRXYMY-LBPRGKRZSA-N 0 0 324.336 4.035 50 5 DIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)C1(c2ccccc2)CCCC1 ZINC000006451140 181342320 /nfs/dbraw/zinc/34/23/20/181342320.db2.gz MNJZAACTXGTLLB-UHFFFAOYSA-N 0 0 324.380 4.354 50 5 DIBARN Cc1c(C)n(Cc2ccco2)c2ncn3c4ccccc4nc3c12 ZINC000006665657 181367287 /nfs/dbraw/zinc/36/72/87/181367287.db2.gz KRSUQASNOCRNGI-UHFFFAOYSA-N 0 0 316.364 4.095 50 5 DIBARN Cc1cc(NC(=S)Nc2ccccc2)c([N+](=O)[O-])cc1C ZINC000006831163 181396146 /nfs/dbraw/zinc/39/61/46/181396146.db2.gz PJRROQVNWLZGJZ-UHFFFAOYSA-N 0 0 301.371 4.021 50 5 DIBARN O=C(c1ccccc1)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000006831931 181396264 /nfs/dbraw/zinc/39/62/64/181396264.db2.gz AVTWYESWYYYISH-UHFFFAOYSA-N 0 0 310.353 4.180 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccsc3)nc2c1 ZINC000007133434 181441501 /nfs/dbraw/zinc/44/15/01/181441501.db2.gz VXCQVFYBSISIKZ-YHYXMXQVSA-N 0 0 305.746 4.270 50 5 DIBARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1-c1ccccc1 ZINC000096116902 193544943 /nfs/dbraw/zinc/54/49/43/193544943.db2.gz IMWUVRCBZVCBMC-UHFFFAOYSA-N 0 0 301.305 4.230 50 5 DIBARN O=C(c1ccccc1)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000008165175 181532247 /nfs/dbraw/zinc/53/22/47/181532247.db2.gz XECMXCGEKZRBRJ-UHFFFAOYSA-N 0 0 322.320 4.031 50 5 DIBARN O=[N+]([O-])c1ncccc1OC(c1ccccc1)c1ccccc1 ZINC000018532602 182101793 /nfs/dbraw/zinc/10/17/93/182101793.db2.gz NHAXOVMPIPGRBB-UHFFFAOYSA-N 0 0 306.321 4.158 50 5 DIBARN O=[N+]([O-])c1cc(F)ccc1Oc1ccccc1Br ZINC000019868799 182158618 /nfs/dbraw/zinc/15/86/18/182158618.db2.gz LMGLRHHMSASKDD-UHFFFAOYSA-N 0 0 312.094 4.289 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c(F)c1 ZINC000020474709 182221375 /nfs/dbraw/zinc/22/13/75/182221375.db2.gz LEWZDBZBTWRFQC-UHFFFAOYSA-N 0 0 312.094 4.289 50 5 DIBARN Cc1csc(Sc2ccc([N+](=O)[O-])c3cnccc23)n1 ZINC000022802770 182335936 /nfs/dbraw/zinc/33/59/36/182335936.db2.gz BPKRAXKDNJDVRY-UHFFFAOYSA-N 0 0 303.368 4.059 50 5 DIBARN Cc1cc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1Cl ZINC000041146132 183175852 /nfs/dbraw/zinc/17/58/52/183175852.db2.gz FQIWUGDHFFUBNV-UHFFFAOYSA-N 0 0 317.732 4.012 50 5 DIBARN Cc1cc(C)cc(O[C@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000041146140 183176165 /nfs/dbraw/zinc/17/61/65/183176165.db2.gz BIOQOPXSNRAIGW-GFCCVEGCSA-N 0 0 311.341 4.228 50 5 DIBARN CCCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045125314 183483207 /nfs/dbraw/zinc/48/32/07/183483207.db2.gz MVNLCVOEBMHQHH-ZIAGYGMSSA-N 0 0 321.421 4.266 50 5 DIBARN CC[C@H](C)N1COc2c(C)c3oc(=O)c4ccccc4c3cc2C1 ZINC000057134891 184028207 /nfs/dbraw/zinc/02/82/07/184028207.db2.gz CSYVNDZTLDXMPB-LBPRGKRZSA-N 0 0 323.392 4.205 50 5 DIBARN Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ncccc1[N+](=O)[O-] ZINC000058356670 184108567 /nfs/dbraw/zinc/10/85/67/184108567.db2.gz ZJNDDPJJYKYXNY-GFCCVEGCSA-N 0 0 301.346 4.017 50 5 DIBARN C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000062923878 184260077 /nfs/dbraw/zinc/26/00/77/184260077.db2.gz CVCNXWPRPISBTQ-NSHDSACASA-N 0 0 318.398 4.072 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC000006322687 331495641 /nfs/dbraw/zinc/49/56/41/331495641.db2.gz CWYAUNOWXGNEAP-QPJJXVBHSA-N 0 0 321.292 4.222 50 5 DIBARN Nc1ccccc1S[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000100427 563543287 /nfs/dbraw/zinc/54/32/87/563543287.db2.gz JCGLEEOULWYJGV-CQSZACIVSA-N 0 0 308.790 4.032 50 5 DIBARN O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 ZINC000002472705 563303582 /nfs/dbraw/zinc/30/35/82/563303582.db2.gz AEBQQUVVVGSWHK-UHFFFAOYSA-N 0 0 312.328 4.490 50 5 DIBARN CSc1ccc(OC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000004794300 563328097 /nfs/dbraw/zinc/32/80/97/563328097.db2.gz LHJKCYXUVVVMRX-UHFFFAOYSA-N 0 0 322.317 4.067 50 5 DIBARN Cc1ccc(Cl)cc1NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000013790883 563473046 /nfs/dbraw/zinc/47/30/46/563473046.db2.gz VFRRJUIHCCDVKP-UHFFFAOYSA-N 0 0 321.789 4.366 50 5 DIBARN O=C(c1cc2cc(Cl)ccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000011162965 563478874 /nfs/dbraw/zinc/47/88/74/563478874.db2.gz YZQUOMQVKTUYPR-UHFFFAOYSA-N 0 0 301.685 4.225 50 5 DIBARN Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000000073435 563519719 /nfs/dbraw/zinc/51/97/19/563519719.db2.gz IWKMSDXHCALJEK-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1 ZINC000000091908 563527749 /nfs/dbraw/zinc/52/77/49/563527749.db2.gz SSWIRWXDAZDCQU-UHFFFAOYSA-N 0 0 322.320 4.361 50 5 DIBARN O=C(Nc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000103249 563543413 /nfs/dbraw/zinc/54/34/13/563543413.db2.gz QNLGDOYJBSELOL-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000000102233 563543467 /nfs/dbraw/zinc/54/34/67/563543467.db2.gz HSXRKXCZGRXMBR-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1cc(Oc2ncccc2[N+](=O)[O-])c2cc(Cl)ccc2n1 ZINC000000167111 563573913 /nfs/dbraw/zinc/57/39/13/563573913.db2.gz RCDKWTNVBFDZFQ-UHFFFAOYSA-N 0 0 315.716 4.292 50 5 DIBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2ccc3ccccc3c2N1 ZINC000000195025 563576629 /nfs/dbraw/zinc/57/66/29/563576629.db2.gz SBEGFAHZOQPEMQ-INIZCTEOSA-N 0 0 318.332 4.222 50 5 DIBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2ccc3ccccc3c2N1 ZINC000000195026 563576858 /nfs/dbraw/zinc/57/68/58/563576858.db2.gz SBEGFAHZOQPEMQ-MRXNPFEDSA-N 0 0 318.332 4.222 50 5 DIBARN Cc1sc2nc(C)nc(Nc3cccc([N+](=O)[O-])c3)c2c1C ZINC000000215530 563578497 /nfs/dbraw/zinc/57/84/97/563578497.db2.gz RAASQQLMXJCHJL-UHFFFAOYSA-N 0 0 314.370 4.268 50 5 DIBARN C[C@@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000242763 563581168 /nfs/dbraw/zinc/58/11/68/563581168.db2.gz NRVMYFBGYFOCNP-ZDUSSCGKSA-N 0 0 310.353 4.040 50 5 DIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])s1 ZINC000000250244 563582211 /nfs/dbraw/zinc/58/22/11/563582211.db2.gz BHTGVSCPLOCDPC-UHFFFAOYSA-N 0 0 317.153 4.215 50 5 DIBARN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C ZINC000000272764 563584078 /nfs/dbraw/zinc/58/40/78/563584078.db2.gz HOUMJJKQVHPDHR-UHFFFAOYSA-N 0 0 318.760 4.223 50 5 DIBARN Cc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000000276690 563584356 /nfs/dbraw/zinc/58/43/56/563584356.db2.gz JQWMDNKVTHRVGA-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000000285365 563584581 /nfs/dbraw/zinc/58/45/81/563584581.db2.gz VMHFGGDTXORBNG-UHFFFAOYSA-N 0 0 319.316 4.481 50 5 DIBARN CC1=CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000000295413 563585296 /nfs/dbraw/zinc/58/52/96/563585296.db2.gz IKJOFKIFOVZUDW-UHFFFAOYSA-N 0 0 322.364 4.437 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1 ZINC000011691802 563586848 /nfs/dbraw/zinc/58/68/48/563586848.db2.gz JSYJCXQMDDFFJO-UHFFFAOYSA-N 0 0 308.124 4.445 50 5 DIBARN Cc1cc(C(=O)Nc2ccccc2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000000316739 563587434 /nfs/dbraw/zinc/58/74/34/563587434.db2.gz BEDFLSIXBFHTMX-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN Cc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000318546 563587454 /nfs/dbraw/zinc/58/74/54/563587454.db2.gz VELYXEHMOQISPI-SOFGYWHQSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000000101358 563606150 /nfs/dbraw/zinc/60/61/50/563606150.db2.gz BYPUIHMPVYJHKV-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN Cc1cc(Nc2ccccc2)c2c(n1)c(C)cc(C)c2[N+](=O)[O-] ZINC000000435727 563613631 /nfs/dbraw/zinc/61/36/31/563613631.db2.gz QGVCWLLKDJWQQF-UHFFFAOYSA-N 0 0 307.353 4.234 50 5 DIBARN O=C(CNc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000446425 563614980 /nfs/dbraw/zinc/61/49/80/563614980.db2.gz KETOHIGKDROJRA-UHFFFAOYSA-N 0 0 306.321 4.043 50 5 aggregator DIBARN Cc1c(Cl)cccc1NCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000446402 563615172 /nfs/dbraw/zinc/61/51/72/563615172.db2.gz HXQAXZKJBFEPMG-UHFFFAOYSA-N 0 0 318.760 4.242 50 5 DIBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1 ZINC000000458429 563615689 /nfs/dbraw/zinc/61/56/89/563615689.db2.gz RRQRCDXULQGTNO-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(CSc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000000616963 563698568 /nfs/dbraw/zinc/69/85/68/563698568.db2.gz UXRAWXQZYWQUTC-UHFFFAOYSA-N 0 0 324.361 4.118 50 5 DIBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000000858768 563772293 /nfs/dbraw/zinc/77/22/93/563772293.db2.gz CHMGCUFKZSNSSW-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000025286171 563786994 /nfs/dbraw/zinc/78/69/94/563786994.db2.gz RXTIVPOXHVOCFU-UHFFFAOYSA-N 0 0 310.309 4.137 50 5 DIBARN Cc1c(NC(=O)c2csc3ccccc23)cccc1[N+](=O)[O-] ZINC000001053603 563787430 /nfs/dbraw/zinc/78/74/30/563787430.db2.gz POLHDGGTIKULTP-UHFFFAOYSA-N 0 0 312.350 4.370 50 5 DIBARN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000015130206 563789771 /nfs/dbraw/zinc/78/97/71/563789771.db2.gz TXHAYJLPPBAFSK-ZDUSSCGKSA-N 0 0 307.353 4.359 50 5 DIBARN C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000012557719 563800918 /nfs/dbraw/zinc/80/09/18/563800918.db2.gz CDOSZFAMHANIIQ-VIFPVBQESA-N 0 0 308.790 4.433 50 5 DIBARN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](c2ccco2)C1 ZINC000229835247 563834452 /nfs/dbraw/zinc/83/44/52/563834452.db2.gz PGAVGOWJMCKRTC-ZWNOBZJWSA-N 0 0 321.764 4.214 50 5 DIBARN O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1[O-] ZINC000036382112 563897147 /nfs/dbraw/zinc/89/71/47/563897147.db2.gz RMQDKZZDTHCVOU-UHFFFAOYSA-N 0 0 318.638 4.035 50 5 DIBARN Cc1cc(C)c(NC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000013788886 563910103 /nfs/dbraw/zinc/91/01/03/563910103.db2.gz GDCJZMFWBZNKCZ-UHFFFAOYSA-N 0 0 315.398 4.329 50 5 DIBARN CC(=O)c1cc2c(nc1C)sc1c2nc(N)c2ccccc12 ZINC000019893010 563923614 /nfs/dbraw/zinc/92/36/14/563923614.db2.gz WZEAHPPNNJXWPR-UHFFFAOYSA-N 0 0 307.378 4.091 50 5 DIBARN CCc1sc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000012934373 563929143 /nfs/dbraw/zinc/92/91/43/563929143.db2.gz OOSGDKFUQMKJDF-UHFFFAOYSA-N 0 0 304.371 4.088 50 5 DIBARN O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)cc1C(F)(F)F ZINC000095215700 563930887 /nfs/dbraw/zinc/93/08/87/563930887.db2.gz NADVBQVAYRIQAS-UHFFFAOYSA-N 0 0 324.469 4.320 50 5 DIBARN CCCCc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000002828790 563940942 /nfs/dbraw/zinc/94/09/42/563940942.db2.gz DXVZXVSFBWVLHU-UHFFFAOYSA-N 0 0 312.369 4.498 50 5 DIBARN O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c(C(F)(F)F)c1 ZINC000004222962 563945579 /nfs/dbraw/zinc/94/55/79/563945579.db2.gz ZODVADWLYRCYCU-UHFFFAOYSA-N 0 0 322.286 4.176 50 5 DIBARN c1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1 ZINC000009423447 563955938 /nfs/dbraw/zinc/95/59/38/563955938.db2.gz BTTBCPUZUSYWGY-UHFFFAOYSA-N 0 0 310.360 4.181 50 5 DIBARN CC(C)Sc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010253329 563958309 /nfs/dbraw/zinc/95/83/09/563958309.db2.gz JYEQPZQTGQAMPT-UHFFFAOYSA-N 0 0 316.382 4.348 50 5 DIBARN Cc1ccc(C)c([C@@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000033040336 1037186647 /nfs/dbraw/zinc/18/66/47/1037186647.db2.gz BPPMZXHCVCLOMF-CYBMUJFWSA-N 0 0 313.357 4.094 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC000096792206 1046945381 /nfs/dbraw/zinc/94/53/81/1046945381.db2.gz KFAYHVZUOCNDCH-YWEYNIOJSA-N 0 0 321.292 4.222 50 5 DIBARN O=C(c1ccco1)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000230050 1047311987 /nfs/dbraw/zinc/31/19/87/1047311987.db2.gz WSXDAGGTVQTBFQ-UHFFFAOYSA-N 0 0 322.320 4.035 50 5 DIBARN Cc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c(Br)c1 ZINC000000476859 1047341043 /nfs/dbraw/zinc/34/10/43/1047341043.db2.gz KLIIHHLSQXBJIS-VOTSOKGWSA-N 0 0 308.131 4.265 50 5 DIBARN CCCCOc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000095494770 185373896 /nfs/dbraw/zinc/37/38/96/185373896.db2.gz YDUDUXNZIDETDE-UHFFFAOYSA-N 0 0 308.559 4.190 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccccc2)CC1 ZINC000078985072 185140247 /nfs/dbraw/zinc/14/02/47/185140247.db2.gz ZJXTXYDYMXSIBG-UHFFFAOYSA-N 0 0 324.380 4.003 50 5 DIBARN CCc1ccc([C@H]2C[C@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 ZINC000083825407 192385212 /nfs/dbraw/zinc/38/52/12/192385212.db2.gz WENGAHUEUSCZLE-IUODEOHRSA-N 0 0 315.373 4.123 50 5 DIBARN O=c1cc(-c2ccc3c(c2)OCO3)oc2ccc3ccccc3c12 ZINC000071769141 191028897 /nfs/dbraw/zinc/02/88/97/191028897.db2.gz TVJUNXVKBKWXPO-UHFFFAOYSA-N 0 0 316.312 4.342 50 5 DIBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000074918 180685021 /nfs/dbraw/zinc/68/50/21/180685021.db2.gz ISYNAHHMOQYVOV-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000103041 180694001 /nfs/dbraw/zinc/69/40/01/180694001.db2.gz UKJLTHUFHVQDQS-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CC[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000000311667 180755971 /nfs/dbraw/zinc/75/59/71/180755971.db2.gz OHWKKAAINFOOOP-HNNXBMFYSA-N 0 0 309.325 4.187 50 5 DIBARN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000000370778 180769106 /nfs/dbraw/zinc/76/91/06/180769106.db2.gz UYTPPLDEPKIWGP-HNNXBMFYSA-N 0 0 318.760 4.129 50 5 DIBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000000436841 180790546 /nfs/dbraw/zinc/79/05/46/180790546.db2.gz VAFZAVSKVBZZML-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000000437117 180790723 /nfs/dbraw/zinc/79/07/23/180790723.db2.gz IUOYKNWZQYRBBM-KPKJPENVSA-N 0 0 318.332 4.400 50 5 DIBARN Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)cccc1[N+](=O)[O-] ZINC000000447521 180794469 /nfs/dbraw/zinc/79/44/69/180794469.db2.gz YRPKXDXTJQYBMZ-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN Cc1ccc(-c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000471400 180801446 /nfs/dbraw/zinc/80/14/46/180801446.db2.gz MZTXZVSJMDUAHR-GFCCVEGCSA-N 0 0 309.325 4.105 50 5 DIBARN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471918 180801511 /nfs/dbraw/zinc/80/15/11/180801511.db2.gz WXTMXOZBXDRNPH-NSHDSACASA-N 0 0 318.760 4.299 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000476377 180803228 /nfs/dbraw/zinc/80/32/28/180803228.db2.gz NTUBBTOUKYNFGW-WEVVVXLNSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccc(C)c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000002544913 180933989 /nfs/dbraw/zinc/93/39/89/180933989.db2.gz SPZGMUCZOHEYEX-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003330400 181006995 /nfs/dbraw/zinc/00/69/95/181006995.db2.gz LYLLXPJOAYRWRQ-UHFFFAOYSA-N 0 0 313.353 4.420 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000003556470 181034325 /nfs/dbraw/zinc/03/43/25/181034325.db2.gz JLBYKVAWMWKQRR-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003958682 181059967 /nfs/dbraw/zinc/05/99/67/181059967.db2.gz CWIMQIRLURKQLT-UHFFFAOYSA-N 0 0 314.385 4.058 50 5 DIBARN Cc1ccc(C)c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1 ZINC000004116729 181075254 /nfs/dbraw/zinc/07/52/54/181075254.db2.gz DPIBCJMZSYOGCZ-UHFFFAOYSA-N 0 0 318.720 4.145 50 5 DIBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccco1 ZINC000004512269 181118359 /nfs/dbraw/zinc/11/83/59/181118359.db2.gz ZAIDQJHDLAPQHZ-UHFFFAOYSA-N 0 0 321.357 4.260 50 5 DIBARN O=[N+]([O-])c1ccc2c(c1)Sc1ccc([N+](=O)[O-])cc1S2 ZINC000004666746 181133962 /nfs/dbraw/zinc/13/39/62/181133962.db2.gz AYWQEIJJQYDOER-UHFFFAOYSA-N 0 0 306.324 4.119 50 5 DIBARN CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000004616576 181130025 /nfs/dbraw/zinc/13/00/25/181130025.db2.gz WCJZLOCMKSYSEN-CYBMUJFWSA-N 0 0 318.760 4.381 50 5 DIBARN Cc1ccccc1OCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004677186 181135147 /nfs/dbraw/zinc/13/51/47/181135147.db2.gz XKQQYONLRRLXSZ-UHFFFAOYSA-N 0 0 306.749 4.048 50 5 DIBARN O=[N+]([O-])c1ccc(Cl)cc1NC1C2CC3CC(C2)CC1C3 ZINC000004694069 181137723 /nfs/dbraw/zinc/13/77/23/181137723.db2.gz FDPGPSMPBITEHT-UHFFFAOYSA-N 0 0 306.793 4.485 50 5 DIBARN CSc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004765565 181149543 /nfs/dbraw/zinc/14/95/43/181149543.db2.gz SQUQXENYEOUAQM-UHFFFAOYSA-N 0 0 317.370 4.269 50 5 DIBARN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000004794920 181152459 /nfs/dbraw/zinc/15/24/59/181152459.db2.gz OQKXAQQYJUNHIE-UHFFFAOYSA-N 0 0 323.711 4.056 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccccc1F ZINC000004793182 181152314 /nfs/dbraw/zinc/15/23/14/181152314.db2.gz CNRAENCZXSDDKP-UHFFFAOYSA-N 0 0 324.695 4.136 50 5 DIBARN CCc1cccc(C)c1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004819264 181155994 /nfs/dbraw/zinc/15/59/94/181155994.db2.gz DFEIBMFYTSJLFL-UHFFFAOYSA-N 0 0 324.336 4.316 50 5 DIBARN Cc1cccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c1C ZINC000004819348 181156564 /nfs/dbraw/zinc/15/65/64/181156564.db2.gz CYZMVXCFQRFAIR-UHFFFAOYSA-N 0 0 310.309 4.062 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000004904942 181170983 /nfs/dbraw/zinc/17/09/83/181170983.db2.gz XXNSUPRMNJNRQF-UHFFFAOYSA-N 0 0 310.353 4.045 50 5 DIBARN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000004927461 181174612 /nfs/dbraw/zinc/17/46/12/181174612.db2.gz JKIJYTVRIUAHMF-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000004948204 181178220 /nfs/dbraw/zinc/17/82/20/181178220.db2.gz KWNLWPWKYXCIMI-UHFFFAOYSA-N 0 0 314.385 4.058 50 5 DIBARN O=C(Nc1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-] ZINC000004954474 181178963 /nfs/dbraw/zinc/17/89/63/181178963.db2.gz MIFNWKDKZRXDFB-UHFFFAOYSA-N 0 0 307.309 4.392 50 5 DIBARN Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC000004981011 181183577 /nfs/dbraw/zinc/18/35/77/181183577.db2.gz YTAITZRBXMKGJJ-UHFFFAOYSA-N 0 0 313.360 4.344 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005093863 181203046 /nfs/dbraw/zinc/20/30/46/181203046.db2.gz OUUYYAAVMKLHDY-WEVVVXLNSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000005103055 181203850 /nfs/dbraw/zinc/20/38/50/181203850.db2.gz DBDMESRRGXPNHR-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1ccccc1OCc1csc(-c2ccccc2)n1 ZINC000005109108 181204595 /nfs/dbraw/zinc/20/45/95/181204595.db2.gz ALOVXHUPYZKONP-UHFFFAOYSA-N 0 0 312.350 4.297 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000005611899 181263490 /nfs/dbraw/zinc/26/34/90/181263490.db2.gz CEYMRDSALYDGSG-UHFFFAOYSA-N 0 0 318.760 4.426 50 5 DIBARN COc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000006085579 181311660 /nfs/dbraw/zinc/31/16/60/181311660.db2.gz IHRMZFADNJOTKW-UHFFFAOYSA-N 0 0 308.721 4.009 50 5 DIBARN O=[N+]([O-])c1ccc(CSc2ccc3c(c2)OCCCO3)cc1 ZINC000006436883 181341243 /nfs/dbraw/zinc/34/12/43/181341243.db2.gz PMVTWNFXMPTETH-UHFFFAOYSA-N 0 0 317.366 4.048 50 5 DIBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccccc1 ZINC000006660641 181366269 /nfs/dbraw/zinc/36/62/69/181366269.db2.gz FCRBRYHSENJLLE-UHFFFAOYSA-N 0 0 315.328 4.199 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(OCc2cc(-c3ccccc3)on2)c1 ZINC000010346958 181667696 /nfs/dbraw/zinc/66/76/96/181667696.db2.gz GTRQNDKDSKNHSR-UHFFFAOYSA-N 0 0 310.309 4.137 50 5 DIBARN O=C(CCCSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010217836 181660588 /nfs/dbraw/zinc/66/05/88/181660588.db2.gz UTLNWXUZKHBGIH-UHFFFAOYSA-N 0 0 316.382 4.106 50 5 DIBARN Cc1c(Cl)cccc1NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000016211990 182036999 /nfs/dbraw/zinc/03/69/99/182036999.db2.gz SYGVEVUWGCHTKV-UHFFFAOYSA-N 0 0 321.789 4.366 50 5 DIBARN CCCNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000020897588 182252251 /nfs/dbraw/zinc/25/22/51/182252251.db2.gz BJISPKGDWZAYFA-UHFFFAOYSA-N 0 0 324.340 4.134 50 5 DIBARN Cc1ccc(NC(=O)c2occc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000022836554 182336860 /nfs/dbraw/zinc/33/68/60/182336860.db2.gz BYXTWYMRCLXAPR-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN Cc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000023151940 182351670 /nfs/dbraw/zinc/35/16/70/182351670.db2.gz FTKSEZLSXNRWDR-SFHVURJKSA-N 0 0 324.380 4.053 50 5 DIBARN CSc1ccc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000032906301 182677196 /nfs/dbraw/zinc/67/71/96/182677196.db2.gz ASEXLNKERFUFKD-UHFFFAOYSA-N 0 0 316.382 4.186 50 5 DIBARN Cc1cc2cc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000040072699 183031206 /nfs/dbraw/zinc/03/12/06/183031206.db2.gz HWUBMDBUJCXVNC-VMPITWQZSA-N 0 0 321.336 4.036 50 5 DIBARN CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000040105468 183035701 /nfs/dbraw/zinc/03/57/01/183035701.db2.gz IMFMSWZJUJKERV-UHFFFAOYSA-N 0 0 302.305 4.110 50 5 DIBARN O=C(NC1CCCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003093821 563942151 /nfs/dbraw/zinc/94/21/51/563942151.db2.gz VPFBUVGVZHJEHR-UHFFFAOYSA-N 0 0 310.781 4.091 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000071889264 563297148 /nfs/dbraw/zinc/29/71/48/563297148.db2.gz GWAOOOAHQRFAJR-INIZCTEOSA-N 0 0 313.313 4.066 50 5 DIBARN CCOc1cc2nc3[nH]c4ccccc4c3nc2cc1OCC ZINC000005094726 563450440 /nfs/dbraw/zinc/45/04/40/563450440.db2.gz PMIAWVISTYNSGG-UHFFFAOYSA-N 0 0 307.353 4.062 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000078351 563520430 /nfs/dbraw/zinc/52/04/30/563520430.db2.gz GUCYXFLYVUTKGY-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN CCOc1c(C)nc(C)c(OCC)c1-c1cccc([N+](=O)[O-])c1 ZINC000000088498 563524072 /nfs/dbraw/zinc/52/40/72/563524072.db2.gz MSWMWJBTHOKCFH-UHFFFAOYSA-N 0 0 316.357 4.071 50 5 DIBARN Cc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000103129 563544045 /nfs/dbraw/zinc/54/40/45/563544045.db2.gz OELNUTDWNHOGDU-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000128569 563571714 /nfs/dbraw/zinc/57/17/14/563571714.db2.gz PVPYJAGNBVAXSH-UHFFFAOYSA-N 0 0 318.760 4.371 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2ccccc2c1 ZINC000000146698 563572573 /nfs/dbraw/zinc/57/25/73/563572573.db2.gz FXLNUZROGLZQBE-DHZHZOJOSA-N 0 0 319.316 4.367 50 5 DIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2n1 ZINC000000175400 563574764 /nfs/dbraw/zinc/57/47/64/563574764.db2.gz DAQLGYRRZRBWQP-UHFFFAOYSA-N 0 0 321.336 4.012 50 5 DIBARN CC1=CC[C@H](C(C)(C)OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000193441 563577396 /nfs/dbraw/zinc/57/73/96/563577396.db2.gz REGKPNNFTIGFOO-AWEZNQCLSA-N 0 0 303.358 4.277 50 5 biogenic DIBARN C[C@@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000231973 563579922 /nfs/dbraw/zinc/57/99/22/563579922.db2.gz WEAVKHATGKOQBH-ZDUSSCGKSA-N 0 0 310.353 4.040 50 5 DIBARN Cc1cccc(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000240021 563580484 /nfs/dbraw/zinc/58/04/84/563580484.db2.gz YICVSXGPRUNJJH-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN C[C@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000242766 563580890 /nfs/dbraw/zinc/58/08/90/563580890.db2.gz NRVMYFBGYFOCNP-CYBMUJFWSA-N 0 0 310.353 4.040 50 5 DIBARN CCc1cccc(C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288668 563584082 /nfs/dbraw/zinc/58/40/82/563584082.db2.gz YTUXWLOTIZXFOI-UHFFFAOYSA-N 0 0 318.760 4.371 50 5 DIBARN O=Cc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000000308401 563587101 /nfs/dbraw/zinc/58/71/01/563587101.db2.gz ATRVIOQTDTZEET-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN CC[C@H](C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000319252 563587469 /nfs/dbraw/zinc/58/74/69/563587469.db2.gz YKVXNCRHNXTUKB-ZDUSSCGKSA-N 0 0 312.369 4.290 50 5 DIBARN Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Cl ZINC000000317794 563587625 /nfs/dbraw/zinc/58/76/25/563587625.db2.gz SAJCORJFFASTST-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN COc1ccc(-c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000000351568 563590012 /nfs/dbraw/zinc/59/00/12/563590012.db2.gz BQGVAKICOPUDFL-UHFFFAOYSA-N 0 0 312.350 4.394 50 5 DIBARN Cc1ccc(NC(=O)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000000353925 563590220 /nfs/dbraw/zinc/59/02/20/563590220.db2.gz RZTQSFTXAVNJOD-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN Cc1cccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000370775 563591444 /nfs/dbraw/zinc/59/14/44/563591444.db2.gz NWWSPLKVJJBMFJ-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)c(Cl)cc1Cl ZINC000000436842 563614061 /nfs/dbraw/zinc/61/40/61/563614061.db2.gz ZFRTZQFEZGRWEA-UHFFFAOYSA-N 0 0 308.124 4.445 50 5 DIBARN O=[N+]([O-])c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000000455028 563615649 /nfs/dbraw/zinc/61/56/49/563615649.db2.gz VYLKXOUCUMBWKM-UHFFFAOYSA-N 0 0 319.114 4.166 50 5 DIBARN O=C(Nc1cc2ccc3ccccc3c2oc1=O)c1ccccc1 ZINC000005681472 563624361 /nfs/dbraw/zinc/62/43/61/563624361.db2.gz QVFHKQKSAVWOID-UHFFFAOYSA-N 0 0 315.328 4.199 50 5 DIBARN O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2ccccc2)c(Cl)c1 ZINC000225603005 563759213 /nfs/dbraw/zinc/75/92/13/563759213.db2.gz FDKMFTZBVRJJPU-HNNXBMFYSA-N 0 0 317.776 4.375 50 5 DIBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000025371079 563787506 /nfs/dbraw/zinc/78/75/06/563787506.db2.gz OCCGWMVPBTWDRO-MRVPVSSYSA-N 0 0 312.156 4.470 50 5 DIBARN Cc1cc(Nc2ccccc2)c2c([N+](=O)[O-])cc(C)c(C)c2n1 ZINC000001205674 563793995 /nfs/dbraw/zinc/79/39/95/563793995.db2.gz AXIWWLGRJLSXHG-UHFFFAOYSA-N 0 0 307.353 4.234 50 5 DIBARN O=C(Nc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000001236697 563809144 /nfs/dbraw/zinc/80/91/44/563809144.db2.gz DLMLBYFJYJQFDE-UHFFFAOYSA-N 0 0 316.700 4.247 50 5 DIBARN O=C(c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001675857 563864246 /nfs/dbraw/zinc/86/42/46/563864246.db2.gz PXLGUMVBFSDYGK-UHFFFAOYSA-N 0 0 303.317 4.493 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 ZINC000001957344 563886159 /nfs/dbraw/zinc/88/61/59/563886159.db2.gz FZAZNFNCMLITOZ-DHZHZOJOSA-N 0 0 318.332 4.400 50 5 DIBARN C[C@@H](Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000238856375 563903996 /nfs/dbraw/zinc/90/39/96/563903996.db2.gz VVHKDSIQFRKYAZ-SNVBAGLBSA-N 0 0 322.158 4.497 50 5 DIBARN O=[N+]([O-])c1ccc2c(c1)CCCN2Cc1cccc2cccnc21 ZINC000089807985 563911447 /nfs/dbraw/zinc/91/14/47/563911447.db2.gz AZJOQVFFAQRUCK-UHFFFAOYSA-N 0 0 319.364 4.096 50 5 DIBARN O=C(Nc1ccccc1F)c1cccc2nc3ccccc3nc21 ZINC000012277015 563916563 /nfs/dbraw/zinc/91/65/63/563916563.db2.gz OYKPYZDRVOPAPI-UHFFFAOYSA-N 0 0 317.323 4.174 50 5 DIBARN Cc1ccc(SCCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002519811 563930113 /nfs/dbraw/zinc/93/01/13/563930113.db2.gz GSFSIYJOPUITLX-UHFFFAOYSA-N 0 0 301.367 4.268 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648344 563940035 /nfs/dbraw/zinc/94/00/35/563940035.db2.gz MTXVYCJQIVESFG-LLVKDONJSA-N 0 0 318.760 4.299 50 5 DIBARN O=[N+]([O-])c1ccc(N2CCCCC2)c(Cl)c1N1CCCCC1 ZINC000003880417 563944493 /nfs/dbraw/zinc/94/44/93/563944493.db2.gz OZGSOKDOBADRDJ-UHFFFAOYSA-N 0 0 323.824 4.229 50 5 DIBARN Cc1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000008780316 563950728 /nfs/dbraw/zinc/95/07/28/563950728.db2.gz QIXABBSTGJFLNE-UHFFFAOYSA-N 0 0 313.140 4.184 50 5 DIBARN Fc1ccc(-c2csc3nc4nc5ccccc5c-4nn23)cc1 ZINC000026688771 563959451 /nfs/dbraw/zinc/95/94/51/563959451.db2.gz RCEZWBVVJNXPQO-UHFFFAOYSA-N 0 0 320.352 4.250 50 5 DIBARN O=[N+]([O-])c1cccc2nc(/C=C\c3ccc4c(c3)OCO4)ccc21 ZINC000033469726 1052778026 /nfs/dbraw/zinc/77/80/26/1052778026.db2.gz CNLXEPGPVJLWJH-XQRVVYSFSA-N 0 0 320.304 4.042 50 5 DIBARN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](c2ccco2)C1 ZINC000229835255 201851695 /nfs/dbraw/zinc/85/16/95/201851695.db2.gz PGAVGOWJMCKRTC-GXFFZTMASA-N 0 0 321.764 4.214 50 5 DIBARN CC(=O)n1cc(C)c2cc([N+](=O)[O-])cc(OCc3ccccc3)c21 ZINC000253396805 186305695 /nfs/dbraw/zinc/30/56/95/186305695.db2.gz FBMBTDRWQGCLIH-UHFFFAOYSA-N 0 0 324.336 4.097 50 5 DIBARN O=c1c2ccc(Cl)cc2nc2sc3ccc(Cl)cc3n21 ZINC000000091455 180689857 /nfs/dbraw/zinc/68/98/57/180689857.db2.gz ORAZOGIJRYLSII-UHFFFAOYSA-N 0 0 321.188 4.369 50 5 DIBARN COc1ccc([C@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1 ZINC000000103552 180693996 /nfs/dbraw/zinc/69/39/96/180693996.db2.gz QLARABZDRDELKD-MRXNPFEDSA-N 0 0 317.728 4.100 50 5 DIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000000103020 180694150 /nfs/dbraw/zinc/69/41/50/180694150.db2.gz DGQMSDOGVFAKNN-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(CCNc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000192921 180721346 /nfs/dbraw/zinc/72/13/46/180721346.db2.gz KJCIUXQUMUAVSG-UHFFFAOYSA-N 0 0 320.348 4.433 50 5 DIBARN O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000000376424 180771297 /nfs/dbraw/zinc/77/12/97/180771297.db2.gz BCJSVPCRCSJHDR-BQYQJAHWSA-N 0 0 320.707 4.039 50 5 DIBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000000432251 180789261 /nfs/dbraw/zinc/78/92/61/180789261.db2.gz LPADFNUVAQBAIY-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000465263 180799409 /nfs/dbraw/zinc/79/94/09/180799409.db2.gz MYWKENBPBXRQAD-MDZDMXLPSA-N 0 0 316.744 4.209 50 5 DIBARN O=[N+]([O-])c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001391997 180859584 /nfs/dbraw/zinc/85/95/84/180859584.db2.gz SMKRITXLUUSEDS-UHFFFAOYSA-N 0 0 316.666 4.253 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000001391270 180859710 /nfs/dbraw/zinc/85/97/10/180859710.db2.gz OTQZRVRTAXYJII-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000002143422 180912094 /nfs/dbraw/zinc/91/20/94/180912094.db2.gz ZDQAVEJQTQHPRN-UHFFFAOYSA-N 0 0 307.309 4.392 50 5 DIBARN CCc1cccc(C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648364 180944085 /nfs/dbraw/zinc/94/40/85/180944085.db2.gz QFHOSLOIPQNIGC-CYBMUJFWSA-N 0 0 312.369 4.208 50 5 DIBARN CCCCN(Cc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000002893925 180968504 /nfs/dbraw/zinc/96/85/04/180968504.db2.gz GSJOXMZZSJGKOB-UHFFFAOYSA-N 0 0 304.415 4.459 50 5 DIBARN CSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003548763 181032621 /nfs/dbraw/zinc/03/26/21/181032621.db2.gz SWGIGNNEGHFSHQ-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN CCc1ccc2c(c1)C=Cc1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000003669831 181044146 /nfs/dbraw/zinc/04/41/46/181044146.db2.gz ZXTJYBHKCHNDDR-UHFFFAOYSA-N 0 0 312.281 4.342 50 5 biogenic DIBARN C[C@H](Nc1cc(N2CCCC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000004104311 181073683 /nfs/dbraw/zinc/07/36/83/181073683.db2.gz ZLCCOZORKUJXSJ-AWEZNQCLSA-N 0 0 311.385 4.368 50 5 DIBARN Cc1nc(Nc2ccccc2)c([N+](=O)[O-])c(Nc2ccccc2)n1 ZINC000004117096 181075528 /nfs/dbraw/zinc/07/55/28/181075528.db2.gz XQYAUUGTIJQVMM-UHFFFAOYSA-N 0 0 321.340 4.180 50 5 DIBARN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000004583044 181127244 /nfs/dbraw/zinc/12/72/44/181127244.db2.gz DRZRYGNPPYTWEY-UHFFFAOYSA-N 0 0 311.769 4.045 50 5 DIBARN CCCC[C@@H](CC)C(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000004611920 181129555 /nfs/dbraw/zinc/12/95/55/181129555.db2.gz NNUBWPWNIGXFRQ-GFCCVEGCSA-N 0 0 308.378 4.148 50 5 DIBARN O=c1oc2ccccc2c2nc(-c3ccc(Cl)cc3)ncc12 ZINC000004784960 181151917 /nfs/dbraw/zinc/15/19/17/181151917.db2.gz IULUTCIMMKUDLR-UHFFFAOYSA-N 0 0 308.724 4.057 50 5 DIBARN Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000004815097 181156060 /nfs/dbraw/zinc/15/60/60/181156060.db2.gz UXSCWPWPKWUUDX-UHFFFAOYSA-N 0 0 318.720 4.145 50 5 DIBARN O=C(/C=C/c1c(F)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000004903696 181170870 /nfs/dbraw/zinc/17/08/70/181170870.db2.gz LBUKJDAMAAIERB-CMDGGOBGSA-N 0 0 320.707 4.039 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1Br ZINC000004982113 181183764 /nfs/dbraw/zinc/18/37/64/181183764.db2.gz WOLNNGYUJVWXBU-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005028170 181191997 /nfs/dbraw/zinc/19/19/97/181191997.db2.gz AACKEKLCXHJFSM-UHFFFAOYSA-N 0 0 314.272 4.041 50 5 DIBARN Cc1ccc(NC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000005093545 181203143 /nfs/dbraw/zinc/20/31/43/181203143.db2.gz YMWDZXMYLHVXFJ-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN O=[N+]([O-])c1cccc([C@@H]2NN=C3/C(=C/c4ccco4)CCC[C@H]32)c1 ZINC000005119908 181205539 /nfs/dbraw/zinc/20/55/39/181205539.db2.gz WEGBXOIQAUTKCU-NSNJOPQOSA-N 0 0 323.352 4.072 50 5 DIBARN Cc1cccc(C)c1Nc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000005249965 181221591 /nfs/dbraw/zinc/22/15/91/181221591.db2.gz VAKLPJNHWVQZAT-UHFFFAOYSA-N 0 0 318.720 4.145 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000005296585 181226988 /nfs/dbraw/zinc/22/69/88/181226988.db2.gz NLHVTUMTOSNKRV-UHFFFAOYSA-N 0 0 308.124 4.445 50 5 DIBARN Cc1[nH]nc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000005322311 181229049 /nfs/dbraw/zinc/22/90/49/181229049.db2.gz NVIQQLDREIVRIL-UHFFFAOYSA-N 0 0 310.313 4.162 50 5 DIBARN Cc1ccc2c(c1)C(C)(C)[C@]1(C)Oc3ccc([N+](=O)[O-])cc3CN21 ZINC000005337705 181230794 /nfs/dbraw/zinc/23/07/94/181230794.db2.gz NJLPYVTXWBLNJW-IBGZPJMESA-N 0 0 324.380 4.310 50 5 DIBARN Cc1ccc(N2c3ccc([N+](=O)[O-])c4cccc(c34)C2=O)cc1 ZINC000005340379 181231701 /nfs/dbraw/zinc/23/17/01/181231701.db2.gz HUXHMXNSJKXYDQ-UHFFFAOYSA-N 0 0 304.305 4.348 50 5 DIBARN Cc1nc2c(c3c4cc([N+](=O)[O-])ccc4oc31)C(=O)CC(C)(C)C2 ZINC000005350112 181233418 /nfs/dbraw/zinc/23/34/18/181233418.db2.gz DGZPPLQNXNGRNP-UHFFFAOYSA-N 0 0 324.336 4.353 50 5 DIBARN CSc1ccc(C(=O)Nc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000005617621 181264458 /nfs/dbraw/zinc/26/44/58/181264458.db2.gz PYRPQPDUQLZLBT-UHFFFAOYSA-N 0 0 320.345 4.017 50 5 DIBARN Cc1nn(-c2cccc(C)c2)c(C)c1-c1cccc([N+](=O)[O-])c1 ZINC000005711147 181275396 /nfs/dbraw/zinc/27/53/96/181275396.db2.gz KYWCXBQUSSOBEX-UHFFFAOYSA-N 0 0 307.353 4.373 50 5 DIBARN Cc1cccc(NC(=O)c2cccc3nc4ccccc4nc32)c1 ZINC000005747933 181280160 /nfs/dbraw/zinc/28/01/60/181280160.db2.gz LEYKDKDJQOIYMK-UHFFFAOYSA-N 0 0 313.360 4.344 50 5 DIBARN Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005936396 181297689 /nfs/dbraw/zinc/29/76/89/181297689.db2.gz CAPHYXWEILBNDX-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN c1csc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000006548831 181353305 /nfs/dbraw/zinc/35/33/05/181353305.db2.gz LZHFSUMJUSCZPE-UHFFFAOYSA-N 0 0 302.362 4.388 50 5 DIBARN O=[N+]([O-])c1cccnc1Oc1ccc2oc3c(c2c1)CCCC3 ZINC000006607736 181360696 /nfs/dbraw/zinc/36/06/96/181360696.db2.gz ZIYPKJTXNGGOTA-UHFFFAOYSA-N 0 0 310.309 4.407 50 5 DIBARN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010288673 181664130 /nfs/dbraw/zinc/66/41/30/181664130.db2.gz YQPFYNMPALQHKF-LBPRGKRZSA-N 0 0 314.341 4.024 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccccc1 ZINC000015411295 182000582 /nfs/dbraw/zinc/00/05/82/182000582.db2.gz PDYQSYNXWBXCEY-UHFFFAOYSA-N 0 0 316.382 4.024 50 5 DIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000016468246 182045761 /nfs/dbraw/zinc/04/57/61/182045761.db2.gz AZIJONYTIQSIHW-SNVBAGLBSA-N 0 0 305.717 4.166 50 5 DIBARN CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000017742598 182085656 /nfs/dbraw/zinc/08/56/56/182085656.db2.gz YDIHWUAFVWTCSL-CQSZACIVSA-N 0 0 319.386 4.175 50 5 DIBARN CC(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000017742600 182085702 /nfs/dbraw/zinc/08/57/02/182085702.db2.gz YDIHWUAFVWTCSL-AWEZNQCLSA-N 0 0 319.386 4.175 50 5 DIBARN CCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] ZINC000020897650 182252117 /nfs/dbraw/zinc/25/21/17/182252117.db2.gz XGQPTWROHDGKGT-UHFFFAOYSA-N 0 0 324.340 4.052 50 5 DIBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1ncnc2ccsc21 ZINC000024717228 182388974 /nfs/dbraw/zinc/38/89/74/182388974.db2.gz MKJLOIQYOOFRCB-UHFFFAOYSA-N 0 0 307.718 4.045 50 5 DIBARN C[C@@H]1CC(=O)c2c1c(Cl)ccc2Oc1ccc([N+](=O)[O-])cn1 ZINC000032825070 182668239 /nfs/dbraw/zinc/66/82/39/182668239.db2.gz SNRNAJAZCJNWCI-MRVPVSSYSA-N 0 0 318.716 4.125 50 5 DIBARN O=[N+]([O-])c1ccc(NCCNc2cccc3ccccc32)cc1 ZINC000058358234 184108947 /nfs/dbraw/zinc/10/89/47/184108947.db2.gz ZQQLPIVAPRUNKQ-UHFFFAOYSA-N 0 0 307.353 4.272 50 5 DIBARN O=[N+]([O-])c1c(NCC2(c3ccccc3)CC2)ccc2ncccc21 ZINC000058406477 184114486 /nfs/dbraw/zinc/11/44/86/184114486.db2.gz HTOQBZSZMQFRMH-UHFFFAOYSA-N 0 0 319.364 4.287 50 5 DIBARN CC[C@H](c1ccccc1)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000058544395 184121836 /nfs/dbraw/zinc/12/18/36/184121836.db2.gz DTFYXKLWFXLUQQ-HZPDHXFCSA-N 0 0 311.385 4.152 50 5 DIBARN Cc1cc(C)c(NC(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000065590085 184369344 /nfs/dbraw/zinc/36/93/44/184369344.db2.gz BXFVOGBGKQHXFW-UHFFFAOYSA-N 0 0 310.762 4.179 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000004347692 256517296 /nfs/dbraw/zinc/51/72/96/256517296.db2.gz PDAUTJGBTRLJEK-UHFFFAOYSA-N 0 0 309.281 4.400 50 5 DIBARN O=[N+]([O-])c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000000058469 331458737 /nfs/dbraw/zinc/45/87/37/331458737.db2.gz POIXTDVRKYWOIV-UHFFFAOYSA-N 0 0 307.265 4.058 50 5 DIBARN O=c1ccc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2o1 ZINC000002624633 331471464 /nfs/dbraw/zinc/47/14/64/331471464.db2.gz JNJPDGWIUWNXAG-UHFFFAOYSA-N 0 0 317.684 4.147 50 5 DIBARN CC(C)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000007499442 331503432 /nfs/dbraw/zinc/50/34/32/331503432.db2.gz IIZIHACPGDSKNG-UHFFFAOYSA-N 0 0 324.340 4.132 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000000245741 563581218 /nfs/dbraw/zinc/58/12/18/563581218.db2.gz KWVFLONUHOZWDJ-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000262072 563583099 /nfs/dbraw/zinc/58/30/99/563583099.db2.gz JOLOVOQCEFGUGN-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN O=C(Oc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000505170 563653608 /nfs/dbraw/zinc/65/36/08/563653608.db2.gz BFRFMKGZAKKXNA-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN COc1cc2ccccc2c(=O)c2cc(Br)sc21 ZINC000000347321 563242403 /nfs/dbraw/zinc/24/24/03/563242403.db2.gz VKTNMDBSSPANFV-UHFFFAOYSA-N 0 0 321.195 4.186 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2cccc(Nc3ccccc3)c2)nc1 ZINC000032899382 563410262 /nfs/dbraw/zinc/41/02/62/563410262.db2.gz TWBULJLDZRXJGT-UHFFFAOYSA-N 0 0 306.325 4.477 50 5 DIBARN Nc1ccccc1-c1nc2ccccc2c2nc3ccccc3n21 ZINC000000044910 563498270 /nfs/dbraw/zinc/49/82/70/563498270.db2.gz BCEFYZTUVNOBOY-UHFFFAOYSA-N 0 0 310.360 4.285 50 5 DIBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000000059268 563513334 /nfs/dbraw/zinc/51/33/34/563513334.db2.gz LLIQPZZJZQYJNR-UHFFFAOYSA-N 0 0 302.380 4.497 50 5 DIBARN CCSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000000064317 563515995 /nfs/dbraw/zinc/51/59/95/563515995.db2.gz NODDDZXWVWZZRD-UHFFFAOYSA-N 0 0 313.382 4.105 50 5 DIBARN O=[N+]([O-])c1cc(NC(=S)Nc2ccccc2)ccc1Cl ZINC000000096130 563527574 /nfs/dbraw/zinc/52/75/74/563527574.db2.gz RCOAMPMLMBJXBZ-UHFFFAOYSA-N 0 0 307.762 4.057 50 5 DIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000000102087 563543297 /nfs/dbraw/zinc/54/32/97/563543297.db2.gz RYAOWQFQAVOYTF-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000000102186 563543354 /nfs/dbraw/zinc/54/33/54/563543354.db2.gz DSEGTCSERAIXAT-UHFFFAOYSA-N 0 0 310.781 4.043 50 5 DIBARN Cc1cccc(Cl)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000102950 563543430 /nfs/dbraw/zinc/54/34/30/563543430.db2.gz DMNWGJFOJKDLEE-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000000103029 563543487 /nfs/dbraw/zinc/54/34/87/563543487.db2.gz PLRZPNNAJHBDOG-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000000103242 563543986 /nfs/dbraw/zinc/54/39/86/563543986.db2.gz MHVMGNOXSRNBTQ-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000000131434 563571986 /nfs/dbraw/zinc/57/19/86/563571986.db2.gz MZAYPZUSWYSPET-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=Cc1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1 ZINC000000153633 563573187 /nfs/dbraw/zinc/57/31/87/563573187.db2.gz AMRNMVQQJYAXBV-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000153606 563573406 /nfs/dbraw/zinc/57/34/06/563573406.db2.gz HYDDMDMPOBVPLO-UHFFFAOYSA-N 0 0 318.638 4.454 50 5 DIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000000168318 563574569 /nfs/dbraw/zinc/57/45/69/563574569.db2.gz CVSGPDIQMYZKIB-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC[C@@](C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000173426 563574760 /nfs/dbraw/zinc/57/47/60/563574760.db2.gz PQEVXEBJFVGYKU-MRXNPFEDSA-N 0 0 300.745 4.468 50 5 DIBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000000239003 563579834 /nfs/dbraw/zinc/57/98/34/563579834.db2.gz JUMMMBYGOOLCOX-UHFFFAOYSA-N 0 0 308.293 4.107 50 5 DIBARN O=C(Nc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000258337 563582824 /nfs/dbraw/zinc/58/28/24/563582824.db2.gz MAXMLJQNSOFMAI-UHFFFAOYSA-N 0 0 308.293 4.107 50 5 DIBARN Cc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000272383 563584257 /nfs/dbraw/zinc/58/42/57/563584257.db2.gz UOVTZRKLZDIMPB-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(CSc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000000291359 563585452 /nfs/dbraw/zinc/58/54/52/563585452.db2.gz UNTJHHOBHBTPMM-UHFFFAOYSA-N 0 0 324.361 4.118 50 5 DIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000000302584 563587001 /nfs/dbraw/zinc/58/70/01/563587001.db2.gz LXVPGMLCMAXHKC-UHFFFAOYSA-N 0 0 316.700 4.247 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000005013898 563595515 /nfs/dbraw/zinc/59/55/15/563595515.db2.gz BOWBEOUQCSBBHA-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1cc(Br)ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000000438771 563614013 /nfs/dbraw/zinc/61/40/13/563614013.db2.gz DZFRRXPONILOOI-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN O=[N+]([O-])c1cccc(-c2csc(Nc3ccc(O)cc3)n2)c1 ZINC000000440786 563615067 /nfs/dbraw/zinc/61/50/67/563615067.db2.gz KIIVBJSECOEYJY-UHFFFAOYSA-N 0 0 313.338 4.168 50 5 DIBARN Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(Cl)c1 ZINC000000457944 563615258 /nfs/dbraw/zinc/61/52/58/563615258.db2.gz VIHRHLAFMFWEPX-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc2ccccc2c1 ZINC000000451318 563615587 /nfs/dbraw/zinc/61/55/87/563615587.db2.gz FHMGRNICDRBDJF-UHFFFAOYSA-N 0 0 310.284 4.139 50 5 DIBARN Cc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000505707 563653644 /nfs/dbraw/zinc/65/36/44/563653644.db2.gz KOIGWMDWFHOODF-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC1(C)[C@@H]2C[C@H]1C=C(CCOC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000000507744 563657796 /nfs/dbraw/zinc/65/77/96/563657796.db2.gz GXRPVFVRODPSDI-CABCVRRESA-N 0 0 315.369 4.134 50 5 DIBARN CCCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045125310 563688263 /nfs/dbraw/zinc/68/82/63/563688263.db2.gz MVNLCVOEBMHQHH-KGLIPLIRSA-N 0 0 321.421 4.266 50 5 DIBARN Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000048289829 563694895 /nfs/dbraw/zinc/69/48/95/563694895.db2.gz KJDMQUZMBBNPQQ-QGZVFWFLSA-N 0 0 324.380 4.127 50 5 DIBARN Cc1c(NC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000000615343 563698973 /nfs/dbraw/zinc/69/89/73/563698973.db2.gz KBPIUPRQRPVSGF-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN Cc1c(C(=O)OCc2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC000000621044 563703191 /nfs/dbraw/zinc/70/31/91/563703191.db2.gz XUMFUPMMHFKFTG-UHFFFAOYSA-N 0 0 323.707 4.053 50 5 DIBARN COc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000012513455 563796733 /nfs/dbraw/zinc/79/67/33/563796733.db2.gz CATYHGBXRVLPOQ-LBPRGKRZSA-N 0 0 323.352 4.325 50 5 DIBARN Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000012871284 563848963 /nfs/dbraw/zinc/84/89/63/563848963.db2.gz MTLPZOBTRQJUKC-GFCCVEGCSA-N 0 0 324.336 4.140 50 5 DIBARN Cc1cc(Oc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000035277229 563850974 /nfs/dbraw/zinc/85/09/74/563850974.db2.gz DGFSWQMFHBGNKQ-UHFFFAOYSA-N 0 0 308.131 4.458 50 5 DIBARN O=C(Nc1c2ccccc2nc2ccccc21)c1ccccc1F ZINC000075286680 563862697 /nfs/dbraw/zinc/86/26/97/563862697.db2.gz PKAYLZILFXVFOD-UHFFFAOYSA-N 0 0 316.335 4.201 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C2C=CCC[C@@H]2CC1 ZINC000075287157 563863189 /nfs/dbraw/zinc/86/31/89/563863189.db2.gz RNJCOMWAWPUVHE-WBMJQRKESA-N 0 0 314.341 4.198 50 5 DIBARN CCC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000013009854 563875598 /nfs/dbraw/zinc/87/55/98/563875598.db2.gz GODMWTZRYJLVMC-HNNXBMFYSA-N 0 0 312.369 4.426 50 5 DIBARN O=C(NC1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000036392490 563898396 /nfs/dbraw/zinc/89/83/96/563898396.db2.gz XGGTXWKZOVQCQQ-UHFFFAOYSA-N 0 0 304.393 4.451 50 5 DIBARN Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc2[nH]1 ZINC000036394534 563898733 /nfs/dbraw/zinc/89/87/33/563898733.db2.gz QRKMNPOIVYYTQI-UHFFFAOYSA-N 0 0 315.354 4.007 50 5 DIBARN O=C(Cc1ccc2ccccc2c1)OCc1cccc([N+](=O)[O-])c1 ZINC000089878752 563911859 /nfs/dbraw/zinc/91/18/59/563911859.db2.gz BPFVVNVCFWBSFW-UHFFFAOYSA-N 0 0 321.332 4.034 50 5 DIBARN Cc1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000012979892 563929107 /nfs/dbraw/zinc/92/91/07/563929107.db2.gz LSUYOTUYWWUWAZ-GFCCVEGCSA-N 0 0 324.336 4.140 50 5 DIBARN Cc1noc(C)c1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000013135476 563929331 /nfs/dbraw/zinc/92/93/31/563929331.db2.gz RWLSXXVXTJKOOR-UHFFFAOYSA-N 0 0 321.383 4.102 50 5 DIBARN Cc1ccc(C)c(NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000002662390 563940194 /nfs/dbraw/zinc/94/01/94/563940194.db2.gz BAUPOOUUADRDDP-UHFFFAOYSA-N 0 0 319.361 4.160 50 5 DIBARN CCCCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000002744748 563940507 /nfs/dbraw/zinc/94/05/07/563940507.db2.gz DODGPHGDMAFMEG-UHFFFAOYSA-N 0 0 312.369 4.498 50 5 DIBARN Cc1sc2ncnc(Oc3ccc([N+](=O)[O-])c(C)c3)c2c1C ZINC000008204979 563947217 /nfs/dbraw/zinc/94/72/17/563947217.db2.gz ZCARIJVJNGRVKC-UHFFFAOYSA-N 0 0 315.354 4.317 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(Oc2ncnc3c4ccccc4oc32)c1 ZINC000008608020 563949300 /nfs/dbraw/zinc/94/93/00/563949300.db2.gz QTMIVEPZOZUTSP-UHFFFAOYSA-N 0 0 321.292 4.385 50 5 DIBARN O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)[C@H]3CCCC[C@H]32)cc1 ZINC000039931440 563951326 /nfs/dbraw/zinc/95/13/26/563951326.db2.gz NDDZNNMXFDUKKZ-ZWKOTPCHSA-N 0 0 321.380 4.378 50 5 DIBARN Cc1c(C[N@H+](Cc2ccco2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000070022032 563955765 /nfs/dbraw/zinc/95/57/65/563955765.db2.gz VAHGKYUDKPOTCA-UHFFFAOYSA-N 0 0 314.385 4.441 50 5 DIBARN CC[C@H](C)N(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000000461600 1040112729 /nfs/dbraw/zinc/11/27/29/1040112729.db2.gz PLZBCQGFQYMMPW-NKVPIJFCSA-N 0 0 304.390 4.034 50 5 DIBARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000587332 1041599167 /nfs/dbraw/zinc/59/91/67/1041599167.db2.gz WXROONXUKIJHHN-FPYGCLRLSA-N 0 0 320.707 4.039 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1N1COc2ccc3ccccc3c2C1 ZINC000000189058 1044332385 /nfs/dbraw/zinc/33/23/85/1044332385.db2.gz RQOVVXSJTGXALK-UHFFFAOYSA-N 0 0 320.348 4.413 50 5 DIBARN O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)cc1 ZINC000013230293 1049536751 /nfs/dbraw/zinc/53/67/51/1049536751.db2.gz NTSRAENIHLGCCM-UHFFFAOYSA-N 0 0 305.293 4.398 50 5 DIBARN COc1cc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)ccc1O ZINC000096792209 185388351 /nfs/dbraw/zinc/38/83/51/185388351.db2.gz KXRMCDKXXYDLKG-YVMONPNESA-N 0 0 322.320 4.028 50 5 DIBARN Cc1cc(C)c(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000003086094 190617391 /nfs/dbraw/zinc/61/73/91/190617391.db2.gz PUDNJQHJGPCZNK-UHFFFAOYSA-N 0 0 313.357 4.472 50 5 DIBARN CC1(C)C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000000042818 180676084 /nfs/dbraw/zinc/67/60/84/180676084.db2.gz DQSMZCRNWAFLGI-LBPRGKRZSA-N 0 0 318.398 4.391 50 5 DIBARN CCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000102180 180693157 /nfs/dbraw/zinc/69/31/57/180693157.db2.gz FURZYYQXWYPKND-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000101971 180693240 /nfs/dbraw/zinc/69/32/40/180693240.db2.gz SWMIVNNGDPOPMN-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103107 180693817 /nfs/dbraw/zinc/69/38/17/180693817.db2.gz UXTKSGXGNONLHR-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000000103094 180694010 /nfs/dbraw/zinc/69/40/10/180694010.db2.gz HJPZBVWGJWCIIJ-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Nc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000278644 180745971 /nfs/dbraw/zinc/74/59/71/180745971.db2.gz GOIZVTQFOMWHTK-UHFFFAOYSA-N 0 0 308.293 4.107 50 5 DIBARN O=c1oc2ccc3ccccc3c2cc1-c1cn2ccccc2n1 ZINC000000348949 180763325 /nfs/dbraw/zinc/76/33/25/180763325.db2.gz CPWWDKWQZMSUSN-UHFFFAOYSA-N 0 0 312.328 4.261 50 5 DIBARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000441676 180792063 /nfs/dbraw/zinc/79/20/63/180792063.db2.gz BBLXXVTZPNCJRT-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CC(C)N(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000449835 180795132 /nfs/dbraw/zinc/79/51/32/180795132.db2.gz XILZLCHUYUKGAN-VAWYXSNFSA-N 0 0 324.380 4.045 50 5 DIBARN Cc1cc(OCc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000000528982 180814389 /nfs/dbraw/zinc/81/43/89/180814389.db2.gz IILRKKRYLIKPHK-UHFFFAOYSA-N 0 0 300.339 4.092 50 5 DIBARN Cc1cc(C)c2c(C(C)(C)C)nn(-c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000000614638 180829722 /nfs/dbraw/zinc/82/97/22/180829722.db2.gz WMIGGBNNNATLCF-UHFFFAOYSA-N 0 0 324.384 4.243 50 5 DIBARN O=[N+]([O-])/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000000615550 180830247 /nfs/dbraw/zinc/83/02/47/180830247.db2.gz NNJVKCWIJFGAKC-BQYQJAHWSA-N 0 0 307.708 4.306 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2)c1C ZINC000004300441 181094215 /nfs/dbraw/zinc/09/42/15/181094215.db2.gz WGAGEKXHRFHAMS-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CCCCN(CCCC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004524442 181120359 /nfs/dbraw/zinc/12/03/59/181120359.db2.gz UZRACGOFGSMGJX-ZHACJKMWSA-N 0 0 304.390 4.037 50 5 DIBARN Cc1c(SCc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004535928 181120718 /nfs/dbraw/zinc/12/07/18/181120718.db2.gz ZDCZYVRWELMLIW-UHFFFAOYSA-N 0 0 304.327 4.104 50 5 DIBARN C[C@H]1CCCC[C@H]1OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583055 181127437 /nfs/dbraw/zinc/12/74/37/181127437.db2.gz JBGKXRXAOXUJQJ-TVQRCGJNSA-N 0 0 312.753 4.375 50 5 DIBARN CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000004695561 181137562 /nfs/dbraw/zinc/13/75/62/181137562.db2.gz KAQFNFCRBUJPIF-UHFFFAOYSA-N 0 0 314.341 4.026 50 5 DIBARN CCOc1ccc(Cl)cc1/C=C\c1onc(C)c1[N+](=O)[O-] ZINC000004821405 181156515 /nfs/dbraw/zinc/15/65/15/181156515.db2.gz PMCPPZXPNNQWIL-XQRVVYSFSA-N 0 0 308.721 4.114 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Br)cc1 ZINC000004981953 181183524 /nfs/dbraw/zinc/18/35/24/181183524.db2.gz NYOBJTZOYOCQSM-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004996973 181187383 /nfs/dbraw/zinc/18/73/83/181187383.db2.gz YMRFVEDSZPTNEZ-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005032595 181193627 /nfs/dbraw/zinc/19/36/27/181193627.db2.gz JXCFVXUUGQQHGC-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN CCc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000005028167 181192454 /nfs/dbraw/zinc/19/24/54/181192454.db2.gz ZHDYMHOZQGDNJT-UHFFFAOYSA-N 0 0 324.336 4.464 50 5 DIBARN CN(C)P(=Nc1ccc([N+](=O)[O-])cc1)(N(C)C)C(C)(C)C ZINC000005257610 181222975 /nfs/dbraw/zinc/22/29/75/181222975.db2.gz STNAFZZEPQHWPY-UHFFFAOYSA-N 0 0 312.354 4.179 50 5 DIBARN CCc1cccc(CC)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005466247 181247158 /nfs/dbraw/zinc/24/71/58/181247158.db2.gz UOJUXQQABKKQAG-UHFFFAOYSA-N 0 0 312.369 4.280 50 5 DIBARN CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005641456 181267272 /nfs/dbraw/zinc/26/72/72/181267272.db2.gz NOSAZZBVBDAHIZ-UHFFFAOYSA-N 0 0 312.369 4.036 50 5 DIBARN Cc1cc(Br)cc2c3nc4ccccc4nc3[nH]c21 ZINC000005811872 181285738 /nfs/dbraw/zinc/28/57/38/181285738.db2.gz NBVYUJIVQUEFEI-UHFFFAOYSA-N 0 0 312.170 4.335 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000006272424 181324748 /nfs/dbraw/zinc/32/47/48/181324748.db2.gz QCRFPDLOLLPLAD-SOFGYWHQSA-N 0 0 316.744 4.209 50 5 DIBARN COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC000006320069 181329938 /nfs/dbraw/zinc/32/99/38/181329938.db2.gz XKPCXHNZWNYHDW-WEVVVXLNSA-N 0 0 306.321 4.322 50 5 DIBARN COc1cc(C)c(CSc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000006647616 181364647 /nfs/dbraw/zinc/36/46/47/181364647.db2.gz XLRUSUKVPPCIDH-UHFFFAOYSA-N 0 0 319.382 4.213 50 5 DIBARN O=[N+]([O-])c1cccc2nc(/C=C/c3ccc4c(c3)OCO4)ccc21 ZINC000006649390 181364924 /nfs/dbraw/zinc/36/49/24/181364924.db2.gz CNLXEPGPVJLWJH-GQCTYLIASA-N 0 0 320.304 4.042 50 5 DIBARN CCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261494016 203074033 /nfs/dbraw/zinc/07/40/33/203074033.db2.gz OAXNTDFLTKDLAK-UHFFFAOYSA-N 0 0 300.742 4.010 50 5 DIBARN O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)c(Cl)cc1F ZINC000095215759 193424199 /nfs/dbraw/zinc/42/41/99/193424199.db2.gz MNRUZCMUUGVPMM-UHFFFAOYSA-N 0 0 308.907 4.094 50 5 DIBARN O=C(Nc1ccc(F)cc1)c1cccc2nc3ccccc3nc21 ZINC000009910282 181646822 /nfs/dbraw/zinc/64/68/22/181646822.db2.gz FYMRJTLMPKOCJV-UHFFFAOYSA-N 0 0 317.323 4.174 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@H](Cc2ccccc2)c2ccccc2)nc1 ZINC000012927959 181812810 /nfs/dbraw/zinc/81/28/10/181812810.db2.gz VOYNSOWHEYVPRX-GOSISDBHSA-N 0 0 319.364 4.386 50 5 DIBARN Cc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c(C)c1 ZINC000017162834 182078140 /nfs/dbraw/zinc/07/81/40/182078140.db2.gz PTMPTDUTDHKZBQ-UHFFFAOYSA-N 0 0 310.309 4.062 50 5 DIBARN CC(C)(C)[C@@H]1CCc2nc(N)c3c(c4ccccc4oc3=O)c2C1 ZINC000019015020 182104106 /nfs/dbraw/zinc/10/41/06/182104106.db2.gz JONBSVGDEYLTQJ-LLVKDONJSA-N 0 0 322.408 4.074 50 5 DIBARN O=[N+]([O-])c1cccnc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000020669160 182242020 /nfs/dbraw/zinc/24/20/20/182242020.db2.gz IDADEIQVJVMHRU-CQSZACIVSA-N 0 0 303.749 4.206 50 5 DIBARN CC(C)c1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000022157784 182311127 /nfs/dbraw/zinc/31/11/27/182311127.db2.gz AWBHUGLTOJRZAI-UHFFFAOYSA-N 0 0 302.359 4.171 50 5 DIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2o1 ZINC000058394222 184112313 /nfs/dbraw/zinc/11/23/13/184112313.db2.gz YCBHVKPOQDWNMV-UHFFFAOYSA-N 0 0 317.732 4.026 50 5 DIBARN O=C(Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000258993 563582304 /nfs/dbraw/zinc/58/23/04/563582304.db2.gz LPEYUZMZWUJNCP-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3ccsc32)c1 ZINC000219810017 563413648 /nfs/dbraw/zinc/41/36/48/563413648.db2.gz NZXIACCHHSKZIA-UHFFFAOYSA-N 0 0 307.718 4.045 50 5 DIBARN O=c1c2cccc3cccc(c4nc5ccc(Cl)cc5n41)c32 ZINC000002123899 563300074 /nfs/dbraw/zinc/30/00/74/563300074.db2.gz ZJESJVGSDQOZAT-UHFFFAOYSA-N 0 0 304.736 4.245 50 5 DIBARN c1ccc2c3nc4ccc(N5CCCCC5)cc4n3ncc2c1 ZINC000016545118 563412176 /nfs/dbraw/zinc/41/21/76/563412176.db2.gz ZHSMFVQVJQGEEG-UHFFFAOYSA-N 0 0 302.381 4.026 50 5 DIBARN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1ccc([N+](=O)[O-])cc1O2 ZINC000006709026 563450619 /nfs/dbraw/zinc/45/06/19/563450619.db2.gz AEUPYUQQBBOQTL-IBGZPJMESA-N 0 0 322.364 4.124 50 5 DIBARN Cc1nc2sc(-c3ccc([N+](=O)[O-])o3)c(N)c2c(C)c1Cl ZINC000000032748 563506309 /nfs/dbraw/zinc/50/63/09/563506309.db2.gz GWAXGFFIAWKGQI-UHFFFAOYSA-N 0 0 323.761 4.317 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000000073428 563520737 /nfs/dbraw/zinc/52/07/37/563520737.db2.gz WBFVRWHRQFISDC-UHFFFAOYSA-N 0 0 318.760 4.426 50 5 DIBARN O=[N+]([O-])c1ccc(OCc2ccccc2)cc1/C=C/N1CCCC1 ZINC000000083764 563523965 /nfs/dbraw/zinc/52/39/65/563523965.db2.gz MGEKYRBCSOMJOW-JLHYYAGUSA-N 0 0 324.380 4.240 50 5 DIBARN O=[N+]([O-])c1ccc2oc([C@@H](O)c3cccc(Cl)c3)cc2c1 ZINC000000083736 563524103 /nfs/dbraw/zinc/52/41/03/563524103.db2.gz LZUJVVSSNKDVHT-HNNXBMFYSA-N 0 0 303.701 4.076 50 5 DIBARN Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1[N+](=O)[O-] ZINC000012357685 563567958 /nfs/dbraw/zinc/56/79/58/563567958.db2.gz YFUXUSJHZMKLQT-UHFFFAOYSA-N 0 0 323.352 4.249 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1cccc2ccccc21 ZINC000000146701 563572576 /nfs/dbraw/zinc/57/25/76/563572576.db2.gz REZDFLRIURCYMS-VAWYXSNFSA-N 0 0 319.316 4.367 50 5 DIBARN O=Cc1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000000167776 563574062 /nfs/dbraw/zinc/57/40/62/563574062.db2.gz GUZZMRYJCXHFMK-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1cccc([N+](=O)[O-])c1 ZINC000000244276 563581072 /nfs/dbraw/zinc/58/10/72/563581072.db2.gz WHXWJWQHWUFEHQ-UHFFFAOYSA-N 0 0 318.332 4.099 50 5 aggregator DIBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000000246168 563581285 /nfs/dbraw/zinc/58/12/85/563581285.db2.gz XQYWLTVOGZIUBN-UHFFFAOYSA-N 0 0 318.332 4.099 50 5 DIBARN Cc1cc(C(=O)Nc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000000258986 563582373 /nfs/dbraw/zinc/58/23/73/563582373.db2.gz LIDLCSXXPAMXPW-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 ZINC000000259725 563582440 /nfs/dbraw/zinc/58/24/40/563582440.db2.gz BYASSBVNXXDVCM-UHFFFAOYSA-N 0 0 316.700 4.247 50 5 DIBARN CCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc21 ZINC000000273012 563584345 /nfs/dbraw/zinc/58/43/45/563584345.db2.gz YCOFIHYGIRCHDT-UHFFFAOYSA-N 0 0 320.352 4.274 50 5 DIBARN C[C@@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000303140 563586625 /nfs/dbraw/zinc/58/66/25/563586625.db2.gz MJWFBVJELFJTHE-NSHDSACASA-N 0 0 318.760 4.381 50 5 DIBARN O=[N+]([O-])c1ccc([C@H]2CO[C@H](c3ccc(Cl)cc3)O2)cc1 ZINC000000310343 563587285 /nfs/dbraw/zinc/58/72/85/563587285.db2.gz HQVSKFNVPCFKKI-CABCVRRESA-N 0 0 305.717 4.035 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000000311683 563587305 /nfs/dbraw/zinc/58/73/05/563587305.db2.gz KZIASCZWZFYDLB-UHFFFAOYSA-N 0 0 318.760 4.426 50 5 DIBARN Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000000317775 563587561 /nfs/dbraw/zinc/58/75/61/563587561.db2.gz NMQCQAFOWRNTJS-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000331101 563588976 /nfs/dbraw/zinc/58/89/76/563588976.db2.gz MNYLZZXTJJYHJL-UHFFFAOYSA-N 0 0 302.305 4.110 50 5 DIBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000363944 563590069 /nfs/dbraw/zinc/59/00/69/563590069.db2.gz LXEIRQMMULBISD-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000000369297 563590762 /nfs/dbraw/zinc/59/07/62/563590762.db2.gz ITXOHLPCKUGGKB-VQHVLOKHSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccccc1[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110174132 563624804 /nfs/dbraw/zinc/62/48/04/563624804.db2.gz NRMSCOITGYKHPI-NSHDSACASA-N 0 0 318.760 4.048 50 5 DIBARN O=C(/C=C/c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000476821 563624972 /nfs/dbraw/zinc/62/49/72/563624972.db2.gz SZJVRMCQZJHWFC-FPYGCLRLSA-N 0 0 320.707 4.039 50 5 DIBARN Cc1ccc(N2COc3ccc4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000000553534 563670427 /nfs/dbraw/zinc/67/04/27/563670427.db2.gz ARCNNAKJQAXPPF-UHFFFAOYSA-N 0 0 320.348 4.413 50 5 DIBARN CCc1cccc(CC)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000610920 563698514 /nfs/dbraw/zinc/69/85/14/563698514.db2.gz MBNAAKILFSSOFO-UHFFFAOYSA-N 0 0 313.357 4.364 50 5 DIBARN CC(C)(C)c1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000618244 563698608 /nfs/dbraw/zinc/69/86/08/563698608.db2.gz LTKWJIUCPKLDND-UHFFFAOYSA-N 0 0 313.353 4.249 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1 ZINC000000840943 563727417 /nfs/dbraw/zinc/72/74/17/563727417.db2.gz CUYOQKLJDVXHHJ-UHFFFAOYSA-N 0 0 310.353 4.045 50 5 DIBARN Cc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)o1 ZINC000225850870 563764773 /nfs/dbraw/zinc/76/47/73/563764773.db2.gz WBWQPKQEPPSPTR-SECBINFHSA-N 0 0 323.736 4.032 50 5 DIBARN C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000012557720 563801395 /nfs/dbraw/zinc/80/13/95/563801395.db2.gz CDOSZFAMHANIIQ-SECBINFHSA-N 0 0 308.790 4.433 50 5 DIBARN CSc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000001397982 563816027 /nfs/dbraw/zinc/81/60/27/563816027.db2.gz CWXZUUAOYFZPSH-UHFFFAOYSA-N 0 0 313.338 4.034 50 5 DIBARN COc1cccc([C@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000075105843 563859904 /nfs/dbraw/zinc/85/99/04/563859904.db2.gz WNTPMSNKNROQKN-INIZCTEOSA-N 0 0 315.373 4.198 50 5 DIBARN Cc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1[N+](=O)[O-] ZINC000006232409 563866789 /nfs/dbraw/zinc/86/67/89/563866789.db2.gz OLGNBUYSTNSMKG-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 ZINC000002560264 563875512 /nfs/dbraw/zinc/87/55/12/563875512.db2.gz MEXUTNIFSHFQRG-UHFFFAOYSA-N 0 0 311.344 4.199 50 5 aggregator,in-vivo DIBARN CCCCCc1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000001791786 563878872 /nfs/dbraw/zinc/87/88/72/563878872.db2.gz GZXZKJCVEAFSJG-UHFFFAOYSA-N 0 0 316.386 4.099 50 5 DIBARN Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000002648345 563882650 /nfs/dbraw/zinc/88/26/50/563882650.db2.gz IMILVVLIKUEUCM-NSHDSACASA-N 0 0 318.760 4.299 50 5 DIBARN O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000008773169 563927525 /nfs/dbraw/zinc/92/75/25/563927525.db2.gz OXLCCXLHESAETR-UHFFFAOYSA-N 0 0 318.695 4.074 50 5 DIBARN Cc1ccc2c(cccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000009190342 563927687 /nfs/dbraw/zinc/92/76/87/563927687.db2.gz YJYCWNGWZHNSOJ-UHFFFAOYSA-N 0 0 321.336 4.012 50 5 DIBARN COC(=O)c1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012417886 563928591 /nfs/dbraw/zinc/92/85/91/563928591.db2.gz BLMSDYLLYNMPHJ-UHFFFAOYSA-N 0 0 323.757 4.186 50 5 DIBARN CCc1ccc(OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000013137550 563929241 /nfs/dbraw/zinc/92/92/41/563929241.db2.gz AHXPQPUXUQOADH-UHFFFAOYSA-N 0 0 317.366 4.098 50 5 DIBARN O=C(CCNc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000002519794 563929656 /nfs/dbraw/zinc/92/96/56/563929656.db2.gz TZMNYRURGBCIQM-UHFFFAOYSA-N 0 0 322.723 4.072 50 5 DIBARN COc1ccccc1-c1nccc2c3cc([N+](=O)[O-])ccc3[nH]c21 ZINC000096316104 563936356 /nfs/dbraw/zinc/93/63/56/563936356.db2.gz QVXQXMLZZAWVQQ-UHFFFAOYSA-N 0 0 319.320 4.300 50 5 DIBARN Cc1ccc(C(=O)CCNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002520605 563938449 /nfs/dbraw/zinc/93/84/49/563938449.db2.gz UHUJYECFNVIMRH-UHFFFAOYSA-N 0 0 318.760 4.242 50 5 DIBARN C[C@@H](C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003135465 563942343 /nfs/dbraw/zinc/94/23/43/563942343.db2.gz LDYOYHATFGPLPR-ZDUSSCGKSA-N 0 0 310.353 4.040 50 5 DIBARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000031332128 563944419 /nfs/dbraw/zinc/94/44/19/563944419.db2.gz CQMUEJBZILTEGY-SECBINFHSA-N 0 0 324.789 4.143 50 5 DIBARN O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCCCC1 ZINC000004137912 563945377 /nfs/dbraw/zinc/94/53/77/563945377.db2.gz HHUKIVSRDBWMNB-UHFFFAOYSA-N 0 0 321.396 4.105 50 5 DIBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000008053694 563946408 /nfs/dbraw/zinc/94/64/08/563946408.db2.gz XHDKBJIVQUQZOR-SECBINFHSA-N 0 0 311.263 4.182 50 5 DIBARN O=[N+]([O-])c1ccccc1Oc1ncnc2c3ccccc3oc21 ZINC000009450803 563955961 /nfs/dbraw/zinc/95/59/61/563955961.db2.gz YVBYAPDCGVMPAS-UHFFFAOYSA-N 0 0 307.265 4.077 50 5 DIBARN O=C(COc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000009834867 563957701 /nfs/dbraw/zinc/95/77/01/563957701.db2.gz IBOVNVRJWYYGDS-UHFFFAOYSA-N 0 0 307.305 4.010 50 5 DIBARN Cc1cc(OCc2cc(-c3ccccc3)on2)ccc1[N+](=O)[O-] ZINC000010320503 563958563 /nfs/dbraw/zinc/95/85/63/563958563.db2.gz ZNGRRYCHXCQHNR-UHFFFAOYSA-N 0 0 310.309 4.137 50 5 DIBARN O=[N+]([O-])c1ccccc1Nc1c(F)c(F)c(F)c(F)c1F ZINC000022340468 1037388142 /nfs/dbraw/zinc/38/81/42/1037388142.db2.gz VJSTUHWZPKTRPX-UHFFFAOYSA-N 0 0 304.174 4.034 50 5 DIBARN COc1ccc(Cl)cc1NSc1ccccc1[N+](=O)[O-] ZINC000003182126 1038673991 /nfs/dbraw/zinc/67/39/91/1038673991.db2.gz IUFFPPOYHKRLOE-UHFFFAOYSA-N 0 0 310.762 4.376 50 5 DIBARN Cc1cc(C)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000463111 1040114250 /nfs/dbraw/zinc/11/42/50/1040114250.db2.gz KVLBESYWMFDTBX-CMDGGOBGSA-N 0 0 310.353 4.172 50 5 DIBARN O=C(Nc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000012062408 1041830347 /nfs/dbraw/zinc/83/03/47/1041830347.db2.gz KGKLIFKFUPGIEE-UHFFFAOYSA-N 0 0 315.328 4.199 50 5 DIBARN O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c([N+](=O)[O-])c1Cl ZINC000002173217 1044353443 /nfs/dbraw/zinc/35/34/43/1044353443.db2.gz YXODCXKIYJZGJP-UHFFFAOYSA-N 0 0 305.888 4.117 50 5 DIBARN Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000012946187 1044728355 /nfs/dbraw/zinc/72/83/55/1044728355.db2.gz MBKFVCMUEPJRNG-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN O=[N+]([O-])c1c(OC(Cl)(Cl)Cl)cccc1C(F)(F)F ZINC000095215451 1044761053 /nfs/dbraw/zinc/76/10/53/1044761053.db2.gz NELZCYGVXRRJLM-UHFFFAOYSA-N 0 0 324.469 4.320 50 5 DIBARN Cc1ccc(OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])n1 ZINC000000092847 190610860 /nfs/dbraw/zinc/61/08/60/190610860.db2.gz HUQMSALKPJXTIR-UHFFFAOYSA-N 0 0 313.140 4.184 50 5 DIBARN CCc1ccc([C@H]2C[C@@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 ZINC000083825410 192384631 /nfs/dbraw/zinc/38/46/31/192384631.db2.gz WENGAHUEUSCZLE-SWLSCSKDSA-N 0 0 315.373 4.123 50 5 DIBARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000072277127 191099231 /nfs/dbraw/zinc/09/92/31/191099231.db2.gz DTFYXKLWFXLUQQ-HOTGVXAUSA-N 0 0 311.385 4.152 50 5 DIBARN O=[N+]([O-])c1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000000121559 180700097 /nfs/dbraw/zinc/70/00/97/180700097.db2.gz FCJIKDFSQNVRNX-UHFFFAOYSA-N 0 0 314.288 4.301 50 5 DIBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2N1 ZINC000000195125 180721650 /nfs/dbraw/zinc/72/16/50/180721650.db2.gz PZEQKGJBRUUZSW-KRWDZBQOSA-N 0 0 318.332 4.222 50 5 aggregator DIBARN CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C ZINC000000288716 180748729 /nfs/dbraw/zinc/74/87/29/180748729.db2.gz DMBJHHNYOUSVSO-UHFFFAOYSA-N 0 0 318.760 4.223 50 5 DIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000000300747 180752518 /nfs/dbraw/zinc/75/25/18/180752518.db2.gz RKIGQAPHKRNILC-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000000437238 180790384 /nfs/dbraw/zinc/79/03/84/180790384.db2.gz CWXVZXKYNJGIEG-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000860167 180836523 /nfs/dbraw/zinc/83/65/23/180836523.db2.gz USYOBQXHSOSUPO-VQHVLOKHSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000001382876 180857322 /nfs/dbraw/zinc/85/73/22/180857322.db2.gz LZWKQUDNLNFCRK-HUUCEWRRSA-N 0 0 301.729 4.235 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc2ccccc12 ZINC000002761348 180952922 /nfs/dbraw/zinc/95/29/22/180952922.db2.gz PGPGJYUONFJQNS-UHFFFAOYSA-N 0 0 312.350 4.370 50 5 DIBARN CCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 ZINC000003300935 181002452 /nfs/dbraw/zinc/00/24/52/181002452.db2.gz QZEFWAKOZMPJIC-UHFFFAOYSA-N 0 0 323.348 4.015 50 5 DIBARN c1ccc(-c2nnc3c4ccccc4c4ccccc4c3n2)nc1 ZINC000003651238 181043595 /nfs/dbraw/zinc/04/35/95/181043595.db2.gz PUXDCBHUQWIFIH-UHFFFAOYSA-N 0 0 308.344 4.393 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000003878487 181051669 /nfs/dbraw/zinc/05/16/69/181051669.db2.gz ZCDMKBLVPCWKGH-UHFFFAOYSA-N 0 0 309.281 4.400 50 5 DIBARN CC(=O)c1ccc(OCc2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000003880966 181051889 /nfs/dbraw/zinc/05/18/89/181051889.db2.gz FXHANCIYSSYLGH-UHFFFAOYSA-N 0 0 319.744 4.338 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2ccccc21 ZINC000004004761 181061521 /nfs/dbraw/zinc/06/15/21/181061521.db2.gz HTYOJGBBZYEJPX-UHFFFAOYSA-N 0 0 308.259 4.308 50 5 DIBARN Cc1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1 ZINC000004020116 181063097 /nfs/dbraw/zinc/06/30/97/181063097.db2.gz IJXFCBFSPDPDRY-UHFFFAOYSA-N 0 0 313.360 4.344 50 5 DIBARN CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1 ZINC000004252847 181088445 /nfs/dbraw/zinc/08/84/45/181088445.db2.gz VOFUROIFQGPCGE-UHFFFAOYSA-N 0 0 318.376 4.292 50 5 in-vitro DIBARN CC(=O)Nc1cc(Sc2ccc(C)cc2)c(F)cc1[N+](=O)[O-] ZINC000004299993 181094530 /nfs/dbraw/zinc/09/45/30/181094530.db2.gz XSNSEDOWLVKFCR-UHFFFAOYSA-N 0 0 320.345 4.152 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCCCC1 ZINC000004276711 181091518 /nfs/dbraw/zinc/09/15/18/181091518.db2.gz ASFBVMIFNSEGDI-UHFFFAOYSA-N 0 0 308.687 4.257 50 5 DIBARN Cc1cc(C)c(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004405506 181107607 /nfs/dbraw/zinc/10/76/07/181107607.db2.gz XZQLGCIXQURLJT-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000004410646 181107165 /nfs/dbraw/zinc/10/71/65/181107165.db2.gz XPPRVCLBOSLPEE-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000004508216 181117728 /nfs/dbraw/zinc/11/77/28/181117728.db2.gz FCSJJUMQAIAXER-ZDUSSCGKSA-N 0 0 318.760 4.381 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccccc1Cl ZINC000004551780 181124078 /nfs/dbraw/zinc/12/40/78/181124078.db2.gz RNGSGOMIDYZYGK-RMKNXTFCSA-N 0 0 316.744 4.209 50 5 DIBARN O=[N+]([O-])c1ccc(Cl)c(CSc2nc3ccccc3[nH]2)c1 ZINC000004576473 181125855 /nfs/dbraw/zinc/12/58/55/181125855.db2.gz PRQHYPGIKKXHMC-UHFFFAOYSA-N 0 0 319.773 4.417 50 5 DIBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccccc1 ZINC000004602158 181129422 /nfs/dbraw/zinc/12/94/22/181129422.db2.gz PXYQXIFHRHLFPU-BQYQJAHWSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1cccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000004613877 181129863 /nfs/dbraw/zinc/12/98/63/181129863.db2.gz YRFOAAGGAUBEDX-UHFFFAOYSA-N 0 0 306.749 4.048 50 5 DIBARN CCCC[C@H](CC)C(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000004611922 181130001 /nfs/dbraw/zinc/13/00/01/181130001.db2.gz NNUBWPWNIGXFRQ-LBPRGKRZSA-N 0 0 308.378 4.148 50 5 DIBARN COc1cc2ccccc2cc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004689081 181137131 /nfs/dbraw/zinc/13/71/31/181137131.db2.gz KRZUPSLKUXVPPB-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004695560 181137716 /nfs/dbraw/zinc/13/77/16/181137716.db2.gz BWPCATSDNDAMNS-FMIVXFBMSA-N 0 0 310.353 4.370 50 5 DIBARN COc1cc([N+](=O)[O-])c(C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004693854 181137721 /nfs/dbraw/zinc/13/77/21/181137721.db2.gz KALAQSZEGLFMQK-UHFFFAOYSA-N 0 0 317.385 4.080 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCCCC2 ZINC000004750293 181148552 /nfs/dbraw/zinc/14/85/52/181148552.db2.gz OFAJUHDGOZVJTD-UHFFFAOYSA-N 0 0 316.382 4.178 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000004794792 181152510 /nfs/dbraw/zinc/15/25/10/181152510.db2.gz AAPUCYYVEYWHIH-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN Cc1cccc(Cl)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004794698 181152562 /nfs/dbraw/zinc/15/25/62/181152562.db2.gz NESAVCPSLVCWIJ-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN CCN1c2ccc([N+](=O)[O-])cc2N(CC)[C@@]1(C)c1ccccc1 ZINC000004793148 181152614 /nfs/dbraw/zinc/15/26/14/181152614.db2.gz SRJXNMVCTPQMLX-SFHVURJKSA-N 0 0 311.385 4.134 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1cccc(F)c1 ZINC000004793104 181152673 /nfs/dbraw/zinc/15/26/73/181152673.db2.gz MSXJFHBOJNQRFV-UHFFFAOYSA-N 0 0 324.695 4.136 50 5 DIBARN CSc1ccc(OC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004799759 181153502 /nfs/dbraw/zinc/15/35/02/181153502.db2.gz STQOYZIEKDSPSL-UHFFFAOYSA-N 0 0 318.354 4.236 50 5 DIBARN O=c1c2ccccc2oc2cc(OCc3ccccc3)cc(O)c21 ZINC000004826374 181157901 /nfs/dbraw/zinc/15/79/01/181157901.db2.gz QBSUFELWFJWENM-UHFFFAOYSA-N 0 0 318.328 4.231 50 5 biogenic DIBARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004833007 181158785 /nfs/dbraw/zinc/15/87/85/181158785.db2.gz QXEXVMJLKIICFT-GFCCVEGCSA-N 0 0 316.382 4.023 50 5 DIBARN CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004868170 181165707 /nfs/dbraw/zinc/16/57/07/181165707.db2.gz VFUIMDAFTHSJCF-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004892969 181169464 /nfs/dbraw/zinc/16/94/64/181169464.db2.gz ZPJVKGULRNZDAK-SOFGYWHQSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004893112 181169663 /nfs/dbraw/zinc/16/96/63/181169663.db2.gz FRTMVHUEDVPUGR-FPYGCLRLSA-N 0 0 320.707 4.039 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000005046691 181195997 /nfs/dbraw/zinc/19/59/97/181195997.db2.gz CQBRJNKOMXTRHI-UHFFFAOYSA-N 0 0 316.700 4.247 50 5 DIBARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000005107946 181204450 /nfs/dbraw/zinc/20/44/50/181204450.db2.gz HFIADMKYXNWBRZ-GFCCVEGCSA-N 0 0 324.336 4.035 50 5 DIBARN O=[N+]([O-])c1cccc([C@@H]2NN=C3/C(=C/c4ccco4)CCC[C@@H]32)c1 ZINC000005119912 181205939 /nfs/dbraw/zinc/20/59/39/181205939.db2.gz WEGBXOIQAUTKCU-XJFGHQHYSA-N 0 0 323.352 4.072 50 5 DIBARN O=[N+]([O-])c1c(Cl)cc(N2CCCCC2)cc1N1CCCCC1 ZINC000005223882 181219044 /nfs/dbraw/zinc/21/90/44/181219044.db2.gz ABGRFPJJPSNIGM-UHFFFAOYSA-N 0 0 323.824 4.229 50 5 DIBARN Nc1nnc(SCc2nc3ccccc3c3ccccc23)s1 ZINC000005391066 181237918 /nfs/dbraw/zinc/23/79/18/181237918.db2.gz KSWOUTWHZRJXIK-UHFFFAOYSA-N 0 0 324.434 4.114 50 5 DIBARN CCCCN(CCCC)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005419387 181241237 /nfs/dbraw/zinc/24/12/37/181241237.db2.gz FJUKIVXIBLBEDD-UHFFFAOYSA-N 0 0 312.797 4.291 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1csc2c1CCCC2 ZINC000005487823 181249346 /nfs/dbraw/zinc/24/93/46/181249346.db2.gz DWIWIBBEKJGRFI-UHFFFAOYSA-N 0 0 316.382 4.096 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000005519037 181252617 /nfs/dbraw/zinc/25/26/17/181252617.db2.gz BLPDXAOGNXKKRI-UHFFFAOYSA-N 0 0 307.309 4.392 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000005674714 181270879 /nfs/dbraw/zinc/27/08/79/181270879.db2.gz PHSKYXAXTDGAHQ-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000005815012 181286151 /nfs/dbraw/zinc/28/61/51/181286151.db2.gz KBGFNLKOFWXCNQ-UHFFFAOYSA-N 0 0 318.760 4.426 50 5 DIBARN CC(C)c1ccc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006053885 181308683 /nfs/dbraw/zinc/30/86/83/181308683.db2.gz SYLCMCVDMGPXIY-ZDUSSCGKSA-N 0 0 312.369 4.209 50 5 DIBARN COc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1O ZINC000006601103 181360291 /nfs/dbraw/zinc/36/02/91/181360291.db2.gz SDXHQEKGSLYWDP-FNORWQNLSA-N 0 0 322.320 4.028 50 5 DIBARN O=[N+]([O-])c1ccc(OCc2cccc3cccnc32)c(Cl)c1 ZINC000014707533 181967037 /nfs/dbraw/zinc/96/70/37/181967037.db2.gz FZCZLWIYZROURN-UHFFFAOYSA-N 0 0 314.728 4.375 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1OCc1ccc(C(C)(C)C)cc1 ZINC000015544544 182005814 /nfs/dbraw/zinc/00/58/14/182005814.db2.gz NWSJPEKXAHARHZ-UHFFFAOYSA-N 0 0 315.369 4.480 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000015410998 182000477 /nfs/dbraw/zinc/00/04/77/182000477.db2.gz FNMAQDNECDCUGB-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1 ZINC000016889886 182062192 /nfs/dbraw/zinc/06/21/92/182062192.db2.gz BIOUTGSRJYRPFT-UHFFFAOYSA-N 0 0 323.460 4.196 50 5 DIBARN CCc1c(C)scc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017053214 182071747 /nfs/dbraw/zinc/07/17/47/182071747.db2.gz FFWXPJBUYBSNHX-UHFFFAOYSA-N 0 0 315.354 4.244 50 5 DIBARN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000018174658 182096651 /nfs/dbraw/zinc/09/66/51/182096651.db2.gz GIYOCPHZSFSFKX-SNVBAGLBSA-N 0 0 319.748 4.131 50 5 DIBARN O=[N+]([O-])c1ccc(NCc2ccc(-c3cccs3)s2)nc1 ZINC000020223829 182198627 /nfs/dbraw/zinc/19/86/27/182198627.db2.gz NAUUBOKFVTZAJE-UHFFFAOYSA-N 0 0 317.395 4.392 50 5 DIBARN O=[N+]([O-])c1cc(F)ccc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000022957048 182343139 /nfs/dbraw/zinc/34/31/39/182343139.db2.gz KKQJJFJTFUELHH-UHFFFAOYSA-N 0 0 315.329 4.275 50 5 DIBARN Cc1ccc(NC(=O)c2sccc2C2CC2)cc1[N+](=O)[O-] ZINC000046438410 183561394 /nfs/dbraw/zinc/56/13/94/183561394.db2.gz PEKMLKCHUDCWSV-UHFFFAOYSA-N 0 0 302.355 4.094 50 5 DIBARN O=[N+]([O-])c1ccc(-c2cn(-c3ccc(F)cc3)c(=S)[nH]2)cc1 ZINC000000129620 257266411 /nfs/dbraw/zinc/26/64/11/257266411.db2.gz IRESGMKHPFKIQY-UHFFFAOYSA-N 0 0 315.329 4.249 50 5 DIBARN C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnccn1 ZINC000126520880 337383034 /nfs/dbraw/zinc/38/30/34/337383034.db2.gz FPTBNXHBUMSCDG-XFFZJAGNSA-N 0 0 324.365 4.069 50 5 DIBARN COc1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000033862171 518143623 /nfs/dbraw/zinc/14/36/23/518143623.db2.gz UGALECXBZQNWRH-WTKPLQERSA-N 0 0 312.350 4.384 50 5 DIBARN CC(=O)Cn1c2ccc(F)cc2c2nc3cc(C)c(C)cc3nc21 ZINC000013729858 563388283 /nfs/dbraw/zinc/38/82/83/563388283.db2.gz YHEJZHZEQVNFHT-UHFFFAOYSA-N 0 0 321.355 4.083 50 5 DIBARN C[C@H]1CC(=O)c2c1c(Cl)ccc2Oc1ccc([N+](=O)[O-])cn1 ZINC000032825071 563399849 /nfs/dbraw/zinc/39/98/49/563399849.db2.gz SNRNAJAZCJNWCI-QMMMGPOBSA-N 0 0 318.716 4.125 50 5 DIBARN O=C(Nc1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000031296 563505272 /nfs/dbraw/zinc/50/52/72/563505272.db2.gz VGMKEKQYWUXIQW-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1ccc(Cl)cc1Sc1nc2ccccc2[nH]1 ZINC000000036181 563507737 /nfs/dbraw/zinc/50/77/37/563507737.db2.gz YQLXKPNEVRSMCI-UHFFFAOYSA-N 0 0 305.746 4.276 50 5 DIBARN CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000000056621 563513113 /nfs/dbraw/zinc/51/31/13/563513113.db2.gz PSXPTGAEJZYNFI-LJQANCHMSA-N 0 0 322.364 4.124 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccccn1 ZINC000000069859 563515854 /nfs/dbraw/zinc/51/58/54/563515854.db2.gz YYVHNASCJDCQPY-UHFFFAOYSA-N 0 0 300.261 4.160 50 5 DIBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000069333 563516258 /nfs/dbraw/zinc/51/62/58/563516258.db2.gz YDNSNBQUGLSJRG-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 in-vivo DIBARN O=[N+]([O-])c1ccc(Sc2cc(Cl)ccc2Cl)nc1 ZINC000000092529 563527743 /nfs/dbraw/zinc/52/77/43/563527743.db2.gz PUORTAAPOOJGGX-UHFFFAOYSA-N 0 0 301.154 4.448 50 5 DIBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C)c1Cl ZINC000000149162 563572525 /nfs/dbraw/zinc/57/25/25/563572525.db2.gz ROFWWNMDCOXSBR-UHFFFAOYSA-N 0 0 319.744 4.393 50 5 DIBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2N1 ZINC000000195126 563576618 /nfs/dbraw/zinc/57/66/18/563576618.db2.gz PZEQKGJBRUUZSW-QGZVFWFLSA-N 0 0 318.332 4.222 50 5 aggregator DIBARN Cc1cc(Cl)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000210826 563578016 /nfs/dbraw/zinc/57/80/16/563578016.db2.gz CJZSZTUAFXPWRV-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000276688 563583971 /nfs/dbraw/zinc/58/39/71/563583971.db2.gz KJBFYANVEUELBW-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000000341874 563589088 /nfs/dbraw/zinc/58/90/88/563589088.db2.gz DQQMOTWTTKMESD-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc2ccccc21 ZINC000000356404 563590096 /nfs/dbraw/zinc/59/00/96/563590096.db2.gz QODSFETUJGBRIJ-UHFFFAOYSA-N 0 0 320.348 4.238 50 5 DIBARN Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000000376280 563591248 /nfs/dbraw/zinc/59/12/48/563591248.db2.gz VPJGBUFJBNNWNG-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(Cn2c(=O)c3cc4ccccc4cc3[n-]c2=S)o1 ZINC000000425063 563612153 /nfs/dbraw/zinc/61/21/53/563612153.db2.gz JLBCPCCOEFRMMD-UHFFFAOYSA-N 0 0 322.389 4.162 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1 ZINC000000442301 563614492 /nfs/dbraw/zinc/61/44/92/563614492.db2.gz WSFHWDIAZVWAPB-QPJJXVBHSA-N 0 0 320.707 4.039 50 5 DIBARN CCc1cccc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000442184 563614970 /nfs/dbraw/zinc/61/49/70/563614970.db2.gz WCUDLARGLVZTKI-ZHACJKMWSA-N 0 0 310.353 4.118 50 5 DIBARN Cc1c(NC(=O)/C=C/c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000000456478 563615644 /nfs/dbraw/zinc/61/56/44/563615644.db2.gz ADLWLPDZLLWSLF-MDZDMXLPSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000000452125 563615718 /nfs/dbraw/zinc/61/57/18/563615718.db2.gz LQZVTONGWUIWJS-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(/C=C/c1cccc2ccccc12)Oc1ccccc1[N+](=O)[O-] ZINC000000475618 563624968 /nfs/dbraw/zinc/62/49/68/563624968.db2.gz PKBBVZVKLYBLSH-OUKQBFOZSA-N 0 0 319.316 4.367 50 5 DIBARN C[C@@H](C(=O)Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000000472221 563625048 /nfs/dbraw/zinc/62/50/48/563625048.db2.gz BOTPOOTWDITEDU-CYBMUJFWSA-N 0 0 324.380 4.216 50 5 DIBARN Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000504569 563655052 /nfs/dbraw/zinc/65/50/52/563655052.db2.gz QHKOHCGPXYPQIB-RMKNXTFCSA-N 0 0 316.744 4.209 50 5 DIBARN CCCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045125316 563688254 /nfs/dbraw/zinc/68/82/54/563688254.db2.gz MVNLCVOEBMHQHH-UONOGXRCSA-N 0 0 321.421 4.266 50 5 DIBARN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000859816 563772178 /nfs/dbraw/zinc/77/21/78/563772178.db2.gz NGKLPNAEINKCFJ-NSHDSACASA-N 0 0 318.760 4.381 50 5 DIBARN Cc1ccc(OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000000968590 563785610 /nfs/dbraw/zinc/78/56/10/563785610.db2.gz NXCKAOADHMKQED-UHFFFAOYSA-N 0 0 323.304 4.382 50 5 DIBARN Cc1c2ccccc2oc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000001053641 563787455 /nfs/dbraw/zinc/78/74/55/563787455.db2.gz GYLRWOORBJTZAD-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN CN(CC1CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000083859096 563813663 /nfs/dbraw/zinc/81/36/63/563813663.db2.gz KOZIXEXTAYYOCF-UHFFFAOYSA-N 0 0 308.687 4.113 50 5 DIBARN Cc1c(C)c(C)c(Sc2c([N+](=O)[O-])ncn2C)c(C)c1C ZINC000084008117 563820957 /nfs/dbraw/zinc/82/09/57/563820957.db2.gz AKQMUZSYBXRUAJ-UHFFFAOYSA-N 0 0 305.403 4.022 50 5 DIBARN Cc1sc(-c2cc([N+](=O)[O-])ccc2N)nc1-c1ccccc1 ZINC000219036327 563829005 /nfs/dbraw/zinc/82/90/05/563829005.db2.gz UCBKPBJMEXATSY-UHFFFAOYSA-N 0 0 311.366 4.276 50 5 DIBARN CC(C)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012821774 563840469 /nfs/dbraw/zinc/84/04/69/563840469.db2.gz JKMPXXUSUWRYGQ-MRXNPFEDSA-N 0 0 312.369 4.112 50 5 DIBARN O=[N+]([O-])c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000075261200 563862272 /nfs/dbraw/zinc/86/22/72/563862272.db2.gz DHVKKJBEGUDJHC-UHFFFAOYSA-N 0 0 300.261 4.160 50 5 DIBARN O=C(Sc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000075283322 563862749 /nfs/dbraw/zinc/86/27/49/563862749.db2.gz YWFQTYMETSWYFD-UHFFFAOYSA-N 0 0 310.334 4.076 50 5 DIBARN CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000001774799 563878033 /nfs/dbraw/zinc/87/80/33/563878033.db2.gz XYWDBKTVACZSES-UHFFFAOYSA-N 0 0 322.368 4.417 50 5 DIBARN CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001777420 563878096 /nfs/dbraw/zinc/87/80/96/563878096.db2.gz QDVJZKRTBIPKIK-UHFFFAOYSA-N 0 0 314.341 4.026 50 5 DIBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000026774936 563882090 /nfs/dbraw/zinc/88/20/90/563882090.db2.gz AIUUNDCHFCMCIF-VIFPVBQESA-N 0 0 311.263 4.182 50 5 DIBARN Cc1ccc(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000054124092 563885337 /nfs/dbraw/zinc/88/53/37/563885337.db2.gz GZDHKCXHZHVSBL-UHFFFAOYSA-N 0 0 324.380 4.003 50 5 DIBARN Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1[N+](=O)[O-] ZINC000002512715 563938353 /nfs/dbraw/zinc/93/83/53/563938353.db2.gz JGBHZEZKAUNLGK-UHFFFAOYSA-N 0 0 324.380 4.354 50 5 DIBARN CC(=O)Nc1ccccc1Sc1cc(Cl)ccc1[N+](=O)[O-] ZINC000299817194 563939234 /nfs/dbraw/zinc/93/92/34/563939234.db2.gz LAFNJWWMXIXPJF-UHFFFAOYSA-N 0 0 322.773 4.358 50 5 in-vitro DIBARN CCCCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002584895 563939349 /nfs/dbraw/zinc/93/93/49/563939349.db2.gz JNLBSVYBCIBNNB-UHFFFAOYSA-N 0 0 312.369 4.119 50 5 DIBARN CSc1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000002630814 563939797 /nfs/dbraw/zinc/93/97/97/563939797.db2.gz LMEYYXNXLOALBJ-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN CC(C)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002648348 563939893 /nfs/dbraw/zinc/93/98/93/563939893.db2.gz YBKPUNPMLVSAIL-CYBMUJFWSA-N 0 0 312.369 4.460 50 5 DIBARN CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002736960 563940571 /nfs/dbraw/zinc/94/05/71/563940571.db2.gz ZTLFUUFVAPCCMB-UHFFFAOYSA-N 0 0 312.797 4.291 50 5 DIBARN CC(C)(C)[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003080863 563941888 /nfs/dbraw/zinc/94/18/88/563941888.db2.gz ZRBVEFMUUZWOSD-GJZGRUSLSA-N 0 0 305.374 4.357 50 5 DIBARN O=C(Oc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003185860 563942589 /nfs/dbraw/zinc/94/25/89/563942589.db2.gz MAUQMVAQUILJIL-UHFFFAOYSA-N 0 0 319.316 4.481 50 5 DIBARN Cc1ccc(-c2csc(-c3cccc(N)c3)n2)cc1[N+](=O)[O-] ZINC000004245311 563945502 /nfs/dbraw/zinc/94/55/02/563945502.db2.gz KIIURMUPQPBTQP-UHFFFAOYSA-N 0 0 311.366 4.276 50 5 DIBARN CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000008750075 563950673 /nfs/dbraw/zinc/95/06/73/563950673.db2.gz LXRPTWNYSLZIPE-MRXNPFEDSA-N 0 0 313.357 4.114 50 5 DIBARN Cc1c(Cl)cccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033303318 1038077655 /nfs/dbraw/zinc/07/76/55/1038077655.db2.gz TZFTWBYGAUYBRS-HJWRWDBZSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000000608572 1041902244 /nfs/dbraw/zinc/90/22/44/1041902244.db2.gz OFQYLXJMJJGXHQ-UHFFFAOYSA-N 0 0 324.380 4.354 50 5 DIBARN O=[N+]([O-])c1c2nncn2c2ccc(Cl)cc2c1-c1ccccc1 ZINC000000608735 1044336124 /nfs/dbraw/zinc/33/61/24/1044336124.db2.gz GIPIBZDIPASNPX-UHFFFAOYSA-N 0 0 324.727 4.111 50 5 DIBARN O=[N+]([O-])c1cc(F)c(Cl)cc1OC(Cl)(Cl)Cl ZINC000095215412 1044760143 /nfs/dbraw/zinc/76/01/43/1044760143.db2.gz LKYYIGJZFZWDTL-UHFFFAOYSA-N 0 0 308.907 4.094 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC000096792453 1046946463 /nfs/dbraw/zinc/94/64/63/1046946463.db2.gz CWYAUNOWXGNEAP-DAXSKMNVSA-N 0 0 321.292 4.222 50 5 DIBARN Cc1cc2cc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000098006580 1047118641 /nfs/dbraw/zinc/11/86/41/1047118641.db2.gz HWUBMDBUJCXVNC-YVMONPNESA-N 0 0 321.336 4.036 50 5 DIBARN CCCCCC[P@@](=O)(OC)Oc1ccc([N+](=O)[O-])cc1 ZINC000090440955 185296477 /nfs/dbraw/zinc/29/64/77/185296477.db2.gz RMJQAOXPKANPMM-HXUWFJFHSA-N 0 0 301.279 4.393 50 5 in-vitro DIBARN Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000069773240 190814770 /nfs/dbraw/zinc/81/47/70/190814770.db2.gz GNECKOUSCUTWAU-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC(C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000000072015 180684246 /nfs/dbraw/zinc/68/42/46/180684246.db2.gz HOMUYKAGUNUWBS-UHFFFAOYSA-N 0 0 322.368 4.273 50 5 DIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000000103151 180693882 /nfs/dbraw/zinc/69/38/82/180693882.db2.gz RHMRIXDZQJDDKE-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 in-vivo DIBARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102864 180694012 /nfs/dbraw/zinc/69/40/12/180694012.db2.gz YSQUFELZUXPXPM-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CC1=CC[C@@H](C(C)(C)OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000193439 180721039 /nfs/dbraw/zinc/72/10/39/180721039.db2.gz REGKPNNFTIGFOO-CQSZACIVSA-N 0 0 303.358 4.277 50 5 biogenic DIBARN COC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000259832 180740669 /nfs/dbraw/zinc/74/06/69/180740669.db2.gz QLAPJCUFVLSUJK-UHFFFAOYSA-N 0 0 323.757 4.186 50 5 DIBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000000288217 180748962 /nfs/dbraw/zinc/74/89/62/180748962.db2.gz BWBFPYUOUPTXMO-UHFFFAOYSA-N 0 0 319.316 4.481 50 5 DIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000000281420 180746416 /nfs/dbraw/zinc/74/64/16/180746416.db2.gz DDPVBAQIPDPZPX-JLHYYAGUSA-N 0 0 318.332 4.400 50 5 DIBARN O=[N+]([O-])c1ccc([C@@H]2CO[C@H](c3ccc(Cl)cc3)O2)cc1 ZINC000000310344 180755338 /nfs/dbraw/zinc/75/53/38/180755338.db2.gz HQVSKFNVPCFKKI-GJZGRUSLSA-N 0 0 305.717 4.035 50 5 DIBARN Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000322452 180759039 /nfs/dbraw/zinc/75/90/39/180759039.db2.gz YZAPOUQGKLSZPK-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=c1c2ccccc2nc2c3ccccc3c(-c3ccccc3)nn12 ZINC000000351621 180764276 /nfs/dbraw/zinc/76/42/76/180764276.db2.gz NAEGLBXZRZEUDX-UHFFFAOYSA-N 0 0 323.355 4.063 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000000460198 180798148 /nfs/dbraw/zinc/79/81/48/180798148.db2.gz VXQLLGYZTYIWFC-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CC(C)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000000463080 180798707 /nfs/dbraw/zinc/79/87/07/180798707.db2.gz BDKRWGMMOOIXIR-FMIVXFBMSA-N 0 0 310.353 4.370 50 5 DIBARN CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000000475604 180803148 /nfs/dbraw/zinc/80/31/48/180803148.db2.gz JNTCSOPGQRXESY-MDZDMXLPSA-N 0 0 317.316 4.051 50 5 DIBARN O=C(NC1CCCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000476277 180803281 /nfs/dbraw/zinc/80/32/81/180803281.db2.gz LXLYJYLGCTZAFY-UHFFFAOYSA-N 0 0 310.781 4.091 50 5 DIBARN Cc1c(C(=O)Oc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000001516353 180871329 /nfs/dbraw/zinc/87/13/29/180871329.db2.gz RYYXOBNSIMWMLS-UHFFFAOYSA-N 0 0 307.305 4.276 50 5 DIBARN Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-] ZINC000003199831 180990884 /nfs/dbraw/zinc/99/08/84/180990884.db2.gz AGMZCNHVNIVVES-UHFFFAOYSA-N 0 0 300.314 4.404 50 5 DIBARN CSc1ccc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] ZINC000003553827 181033795 /nfs/dbraw/zinc/03/37/95/181033795.db2.gz LPCZRPOLCQVIJU-UHFFFAOYSA-N 0 0 322.430 4.159 50 5 DIBARN COc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000003879396 181051304 /nfs/dbraw/zinc/05/13/04/181051304.db2.gz ZRUDCDLVWYLZRI-UHFFFAOYSA-N 0 0 312.247 4.366 50 5 DIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c2ccccc21 ZINC000003897504 181054075 /nfs/dbraw/zinc/05/40/75/181054075.db2.gz RJMMXFILVDSUSI-UHFFFAOYSA-N 0 0 309.281 4.400 50 5 DIBARN Cc1nc2c(cc(C)c(C)c2[N+](=O)[O-])n1Cc1cccc(C)c1 ZINC000004052658 181067588 /nfs/dbraw/zinc/06/75/88/181067588.db2.gz JMDIQONKTIPEMZ-UHFFFAOYSA-N 0 0 309.369 4.226 50 5 DIBARN CC(=O)Nc1cc(Oc2cccc(Cl)c2)c(C)cc1[N+](=O)[O-] ZINC000004072844 181069991 /nfs/dbraw/zinc/06/99/91/181069991.db2.gz MFUQXDJANKIWOO-UHFFFAOYSA-N 0 0 320.732 4.307 50 5 DIBARN CCCC[C@@H](CC)CNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004184026 181082270 /nfs/dbraw/zinc/08/22/70/181082270.db2.gz OBKGKSUACQQVPV-GFCCVEGCSA-N 0 0 318.373 4.330 50 5 DIBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000004545068 181122523 /nfs/dbraw/zinc/12/25/23/181122523.db2.gz BOCHCTXMZSDOFP-UHFFFAOYSA-N 0 0 316.700 4.247 50 5 DIBARN C[C@@H]1CCCC[C@@H]1OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583052 181127350 /nfs/dbraw/zinc/12/73/50/181127350.db2.gz JBGKXRXAOXUJQJ-RNCFNFMXSA-N 0 0 312.753 4.375 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 ZINC000004659215 181133737 /nfs/dbraw/zinc/13/37/37/181133737.db2.gz QFYVOGJHEHLLDS-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN O=C(/C=C/c1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000004615140 181129713 /nfs/dbraw/zinc/12/97/13/181129713.db2.gz MZLSDZCTFCYDGU-MDWZMJQESA-N 0 0 318.332 4.400 50 5 DIBARN O=[N+]([O-])c1ccc(-c2csc(NCc3ccccc3)n2)cc1 ZINC000004699559 181139247 /nfs/dbraw/zinc/13/92/47/181139247.db2.gz YFUWYQNPBXGTAW-UHFFFAOYSA-N 0 0 311.366 4.330 50 5 DIBARN Cc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000004676019 181135506 /nfs/dbraw/zinc/13/55/06/181135506.db2.gz IYPQKOJTKWXJHQ-UHFFFAOYSA-N 0 0 320.776 4.356 50 5 DIBARN O=c1oc2ccccc2c(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000004833709 181159203 /nfs/dbraw/zinc/15/92/03/181159203.db2.gz HMRJYJVVIYXRBD-UHFFFAOYSA-N 0 0 314.341 4.004 50 5 DIBARN CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004841843 181161541 /nfs/dbraw/zinc/16/15/41/181161541.db2.gz YDTVEUKSTSXIPH-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004951496 181178235 /nfs/dbraw/zinc/17/82/35/181178235.db2.gz UGNMPEAYOOFTEI-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3Br)oc2c1 ZINC000073640058 191335481 /nfs/dbraw/zinc/33/54/81/191335481.db2.gz ZLSVGVAZLGDNKB-UHFFFAOYSA-N 0 0 319.114 4.166 50 5 DIBARN O=[N+]([O-])c1ccc(-c2c[nH]c(SCc3ccccc3)n2)cc1 ZINC000005095145 181203178 /nfs/dbraw/zinc/20/31/78/181203178.db2.gz WMQYMEDJKSRMQF-UHFFFAOYSA-N 0 0 311.366 4.277 50 5 DIBARN COc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005130224 181207817 /nfs/dbraw/zinc/20/78/17/181207817.db2.gz TYTHACAHVHXRPX-RUDMXATFSA-N 0 0 312.350 4.384 50 5 DIBARN CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-] ZINC000005315733 181228715 /nfs/dbraw/zinc/22/87/15/181228715.db2.gz NEKOXWSIMFDGMA-UHFFFAOYSA-N 0 0 309.366 4.253 50 5 in-vitro DIBARN CCOC(=O)c1[nH]c2c(cc(C)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000005717793 181276391 /nfs/dbraw/zinc/27/63/91/181276391.db2.gz UOCSDGUFRQGPFG-UHFFFAOYSA-N 0 0 324.336 4.228 50 5 DIBARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000006061392 181309110 /nfs/dbraw/zinc/30/91/10/181309110.db2.gz ORZSTULFQRXYMY-GFCCVEGCSA-N 0 0 324.336 4.035 50 5 DIBARN Oc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000006269502 181325000 /nfs/dbraw/zinc/32/50/00/181325000.db2.gz FYZDMVGFKBBKNI-UHFFFAOYSA-N 0 0 312.332 4.032 50 5 DIBARN CC(C)[C@H](Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000006657425 181365688 /nfs/dbraw/zinc/36/56/88/181365688.db2.gz JVILFKWTFKJGAC-INIZCTEOSA-N 0 0 310.357 4.280 50 5 DIBARN O=[N+]([O-])c1ccc(SCSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006668131 181367811 /nfs/dbraw/zinc/36/78/11/181367811.db2.gz BGJPFRMRGSMEMK-UHFFFAOYSA-N 0 0 322.367 4.345 50 5 DIBARN CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1 ZINC000091696068 193093909 /nfs/dbraw/zinc/09/39/09/193093909.db2.gz RMAMGGNACJHXHO-UHFFFAOYSA-N 0 0 315.322 4.288 50 5 in-vitro DIBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1(N1CCCCC1)O2 ZINC000019905379 182162379 /nfs/dbraw/zinc/16/23/79/182162379.db2.gz YNVCWGSXSPXVJS-SFHVURJKSA-N 0 0 314.385 4.127 50 5 DIBARN O=[N+]([O-])c1cc(F)ccc1Oc1ccc(Br)cc1 ZINC000019868816 182157763 /nfs/dbraw/zinc/15/77/63/182157763.db2.gz XPSWPTPIDDAPRC-UHFFFAOYSA-N 0 0 312.094 4.289 50 5 DIBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000020011310 182177994 /nfs/dbraw/zinc/17/79/94/182177994.db2.gz MECIHSPPVZNTDE-MRVPVSSYSA-N 0 0 312.156 4.470 50 5 DIBARN Cc1ccc(-c2csc(NCc3ccco3)n2)cc1[N+](=O)[O-] ZINC000021224884 182270467 /nfs/dbraw/zinc/27/04/67/182270467.db2.gz DXFUBFHGKARHLK-UHFFFAOYSA-N 0 0 315.354 4.232 50 5 DIBARN Cc1ccc(-c2nc(COc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000025336015 182409960 /nfs/dbraw/zinc/40/99/60/182409960.db2.gz QYNHGSAHPMERCR-UHFFFAOYSA-N 0 0 310.309 4.137 50 5 DIBARN CC[C@@H](C)N1COc2c(C)c3oc(=O)c4ccccc4c3cc2C1 ZINC000057134889 184028278 /nfs/dbraw/zinc/02/82/78/184028278.db2.gz CSYVNDZTLDXMPB-GFCCVEGCSA-N 0 0 323.392 4.205 50 5 DIBARN O=[N+]([O-])c1cccc(-c2csc(N3CCc4ccccc43)n2)c1 ZINC000059720733 184140063 /nfs/dbraw/zinc/14/00/63/184140063.db2.gz SVUVCGDZXYGFQO-UHFFFAOYSA-N 0 0 323.377 4.413 50 5 DIBARN Cc1c(CN2c3cccc4cccc(c34)C2=O)cccc1[N+](=O)[O-] ZINC000060817014 184156393 /nfs/dbraw/zinc/15/63/93/184156393.db2.gz NUIHOAZDLVOJJC-UHFFFAOYSA-N 0 0 318.332 4.217 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2cccc(N3CCCC3)c2)c(F)c1 ZINC000064914972 184306122 /nfs/dbraw/zinc/30/61/22/184306122.db2.gz ZLPXQKPJRMUUPD-UHFFFAOYSA-N 0 0 301.321 4.078 50 5 DIBARN O=[N+]([O-])c1ccc(/C(=C/c2cncs2)c2ccncc2)cc1 ZINC000129977723 337383223 /nfs/dbraw/zinc/38/32/23/337383223.db2.gz AHFLGVGURVKDNQ-SXGWCWSVSA-N 0 0 309.350 4.035 50 5 DIBARN O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1ccc(F)cc1 ZINC000000103554 563217699 /nfs/dbraw/zinc/21/76/99/563217699.db2.gz GQFLCBOBLRTGCQ-HNNXBMFYSA-N 0 0 305.692 4.230 50 5 DIBARN O=[N+]([O-])c1ccsc1Sc1ccc(C(F)(F)F)cn1 ZINC000000149553 563224697 /nfs/dbraw/zinc/22/46/97/563224697.db2.gz DPFBLUWSLIWGMW-UHFFFAOYSA-N 0 0 306.290 4.221 50 5 DIBARN O=C(Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000206607 563230531 /nfs/dbraw/zinc/23/05/31/563230531.db2.gz FJFCGARFTVBHEN-UHFFFAOYSA-N 0 0 316.312 4.165 50 5 DIBARN Cc1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn21 ZINC000000433073 563253232 /nfs/dbraw/zinc/25/32/32/563253232.db2.gz DFBBAJAODRNWDS-UHFFFAOYSA-N 0 0 309.350 4.433 50 5 DIBARN COC(=O)c1cc(-c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000097757008 563357587 /nfs/dbraw/zinc/35/75/87/563357587.db2.gz YVLIMYSFWRACKG-UHFFFAOYSA-N 0 0 307.305 4.202 50 5 DIBARN Cc1cc(Oc2ccc3c(c2)OCO3)c(Cl)cc1[N+](=O)[O-] ZINC000032826049 563400410 /nfs/dbraw/zinc/40/04/10/563400410.db2.gz DMIWBJKEZAMUFP-UHFFFAOYSA-N 0 0 307.689 4.078 50 5 DIBARN Cc1nc2ccc(Cl)cc2c2c(NC=O)c3ccccc3n21 ZINC000000287086 563413553 /nfs/dbraw/zinc/41/35/53/563413553.db2.gz RAUSOFZQJPBNQK-UHFFFAOYSA-N 0 0 309.756 4.171 50 5 DIBARN O=c1oc2ccccc2c(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000013635862 563467771 /nfs/dbraw/zinc/46/77/71/563467771.db2.gz WRLVOFDUFXOOIC-UHFFFAOYSA-N 0 0 316.700 4.098 50 5 DIBARN Cc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004702166 563500563 /nfs/dbraw/zinc/50/05/63/563500563.db2.gz MWMVOWAAGHWQOS-UHFFFAOYSA-N 0 0 324.380 4.125 50 5 DIBARN Cc1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000033309538 563519682 /nfs/dbraw/zinc/51/96/82/563519682.db2.gz ITXOHLPCKUGGKB-CLFYSBASSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(/C=C\c1c(F)cccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000033311093 563519953 /nfs/dbraw/zinc/51/99/53/563519953.db2.gz BCJSVPCRCSJHDR-FPLPWBNLSA-N 0 0 320.707 4.039 50 5 DIBARN CCCCc1cc2c3ccccc3oc(=O)c2c(NC(=O)CC)n1 ZINC000100130566 563565476 /nfs/dbraw/zinc/56/54/76/563565476.db2.gz JRANCSYOHRUOOC-UHFFFAOYSA-N 0 0 324.380 4.032 50 5 DIBARN Nc1nc(-c2ccc(Cl)cc2)cc2c3ccccc3oc(=O)c12 ZINC000033402508 563566038 /nfs/dbraw/zinc/56/60/38/563566038.db2.gz WZNWYTLBANXDLX-UHFFFAOYSA-N 0 0 322.751 4.244 50 5 DIBARN O=C1NC(=S)SC1=CC=CC=Cc1ccc([N+](=O)[O-])cc1 ZINC000033402741 563566196 /nfs/dbraw/zinc/56/61/96/563566196.db2.gz PEBPEACSBWBPRK-CGRPXXQQSA-N 0 0 318.379 4.036 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000133708 563571967 /nfs/dbraw/zinc/57/19/67/563571967.db2.gz PJHFPAYJXBAUKU-SOFGYWHQSA-N 0 0 316.744 4.209 50 5 DIBARN CCC1CCC(c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000000208887 563577308 /nfs/dbraw/zinc/57/73/08/563577308.db2.gz FTEZMEFETSHPOJ-UHFFFAOYSA-N 0 0 301.346 4.329 50 5 DIBARN O=[N+]([O-])c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000000206150 563577930 /nfs/dbraw/zinc/57/79/30/563577930.db2.gz MUEJWZLTELQEQI-UHFFFAOYSA-N 0 0 302.380 4.497 50 5 DIBARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000000218016 563577998 /nfs/dbraw/zinc/57/79/98/563577998.db2.gz UGSIPVQUCLZMSZ-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN O=C(Oc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000000282062 563584729 /nfs/dbraw/zinc/58/47/29/563584729.db2.gz FCYUBFTTYCDIKM-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN CCc1cccc(CC)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000373831 563591405 /nfs/dbraw/zinc/59/14/05/563591405.db2.gz FXJIXLCNQIZOMF-UHFFFAOYSA-N 0 0 312.369 4.280 50 5 DIBARN CC(C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000002141608 563606118 /nfs/dbraw/zinc/60/61/18/563606118.db2.gz NLEZBNACJQWVAM-UHFFFAOYSA-N 0 0 301.186 4.236 50 5 DIBARN O=[N+]([O-])c1ccc(-c2nnc(SCC3CCCCC3)o2)cc1 ZINC000000411365 563611267 /nfs/dbraw/zinc/61/12/67/563611267.db2.gz XHUIYEZODLAUQK-UHFFFAOYSA-N 0 0 319.386 4.317 50 5 DIBARN O=c1oc2ccc3ccccc3c2cc1-c1ccc2c(c1)OCO2 ZINC000000519122 563662614 /nfs/dbraw/zinc/66/26/14/563662614.db2.gz JFFWBGCMRWQMDP-UHFFFAOYSA-N 0 0 316.312 4.342 50 5 biogenic DIBARN CC[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000000311461 563681118 /nfs/dbraw/zinc/68/11/18/563681118.db2.gz HUUBADWCJIANTP-OAHLLOKOSA-N 0 0 309.325 4.187 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2n[nH]cc21 ZINC000048263976 563694105 /nfs/dbraw/zinc/69/41/05/563694105.db2.gz ZSFRWMAOEIDXNO-UHFFFAOYSA-N 0 0 323.230 4.282 50 5 DIBARN COc1ccc2c(c1)[nH]c(SCc1ccccc1)c2[N+](=O)[O-] ZINC000000617126 563698786 /nfs/dbraw/zinc/69/87/86/563698786.db2.gz NDWALJKSTFZAHM-UHFFFAOYSA-N 0 0 314.366 4.377 50 5 DIBARN Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000615667 563698901 /nfs/dbraw/zinc/69/89/01/563698901.db2.gz NBLDOGRBUJNVOW-UHFFFAOYSA-N 0 0 314.272 4.041 50 5 DIBARN CC(C)Nc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000012567803 563801685 /nfs/dbraw/zinc/80/16/85/563801685.db2.gz HBYRLEZYAAEVJS-SECBINFHSA-N 0 0 324.431 4.120 50 5 DIBARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000012562441 563801941 /nfs/dbraw/zinc/80/19/41/563801941.db2.gz HPMDHXODEJYNJQ-UTUOFQBUSA-N 0 0 311.403 4.274 50 5 DIBARN C[C@H]1CCCCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000084692216 563829821 /nfs/dbraw/zinc/82/98/21/563829821.db2.gz UFLIKFWUSUCRHF-AWEZNQCLSA-N 0 0 304.393 4.403 50 5 DIBARN COc1cc([N+](=O)[O-])c2ncccc2c1Oc1ccccc1C ZINC000075252609 563861706 /nfs/dbraw/zinc/86/17/06/563861706.db2.gz ZTQRKXBPTZADJS-UHFFFAOYSA-N 0 0 310.309 4.252 50 5 DIBARN O=[N+]([O-])c1cccc(NCn2c3ccccc3sc2=S)c1 ZINC000001760830 563878102 /nfs/dbraw/zinc/87/81/02/563878102.db2.gz QXJUHNJHOMXNDT-UHFFFAOYSA-N 0 0 317.395 4.410 50 5 DIBARN Cc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000006846522 563897095 /nfs/dbraw/zinc/89/70/95/563897095.db2.gz JSRQWCAOAWKMJY-UHFFFAOYSA-N 0 0 310.353 4.034 50 5 DIBARN Cc1cccc(Cl)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002156303 563916082 /nfs/dbraw/zinc/91/60/82/563916082.db2.gz LJNBPQFHWTYVTN-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN CCc1ccc(OCc2cc(C(C)(C)C)on2)c([N+](=O)[O-])c1 ZINC000253432964 563925735 /nfs/dbraw/zinc/92/57/35/563925735.db2.gz QHDJSLJYTMKJDQ-UHFFFAOYSA-N 0 0 304.346 4.022 50 5 DIBARN C[C@]12CC3CC(Nc4ncccc4[N+](=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000012402586 563928593 /nfs/dbraw/zinc/92/85/93/563928593.db2.gz NLKCUSCVSLWXRW-TWDRJXRQSA-N 0 0 301.390 4.151 50 5 DIBARN Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000012792784 563928973 /nfs/dbraw/zinc/92/89/73/563928973.db2.gz NJHZWIQFAKOHNX-LBPRGKRZSA-N 0 0 324.336 4.140 50 5 DIBARN Cc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000012979894 563929188 /nfs/dbraw/zinc/92/91/88/563929188.db2.gz LSUYOTUYWWUWAZ-LBPRGKRZSA-N 0 0 324.336 4.140 50 5 DIBARN Cc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)s1 ZINC000096003823 563934574 /nfs/dbraw/zinc/93/45/74/563934574.db2.gz BZZUVESNVDYVEI-UHFFFAOYSA-N 0 0 317.395 4.337 50 5 DIBARN O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000002522066 563938474 /nfs/dbraw/zinc/93/84/74/563938474.db2.gz AGNLXLCJQMVEIA-UHFFFAOYSA-N 0 0 320.348 4.433 50 5 DIBARN O=c1ccc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2o1 ZINC000002624578 563939524 /nfs/dbraw/zinc/93/95/24/563939524.db2.gz APYBRTFXDYUTDZ-UHFFFAOYSA-N 0 0 317.684 4.147 50 5 DIBARN CC(C)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002748304 563940508 /nfs/dbraw/zinc/94/05/08/563940508.db2.gz YYSMEMBZFDSREP-ZHACJKMWSA-N 0 0 310.353 4.370 50 5 DIBARN CCCCNC(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000002764235 563940688 /nfs/dbraw/zinc/94/06/88/563940688.db2.gz IJBJKGHKZQDLCN-UHFFFAOYSA-N 0 0 313.357 4.183 50 5 DIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000002839792 563940928 /nfs/dbraw/zinc/94/09/28/563940928.db2.gz UJXKDGYQIXWAKM-JTQLQIEISA-N 0 0 305.717 4.166 50 5 DIBARN CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002988240 563941560 /nfs/dbraw/zinc/94/15/60/563941560.db2.gz QLGCSVQNOOUWQB-NSHDSACASA-N 0 0 312.797 4.194 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc2ccccc2nc1C ZINC000058341955 563944131 /nfs/dbraw/zinc/94/41/31/563944131.db2.gz OVJLLFKPEZAQBO-UHFFFAOYSA-N 0 0 323.352 4.042 50 5 DIBARN Cc1ccc(-c2cc(COc3ccccc3[N+](=O)[O-])on2)cc1 ZINC000032322153 563945455 /nfs/dbraw/zinc/94/54/55/563945455.db2.gz ADMPBCOVQHGDSV-UHFFFAOYSA-N 0 0 310.309 4.137 50 5 DIBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000008053684 563946442 /nfs/dbraw/zinc/94/64/42/563946442.db2.gz XHDKBJIVQUQZOR-VIFPVBQESA-N 0 0 311.263 4.182 50 5 DIBARN Cc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000008268462 563947364 /nfs/dbraw/zinc/94/73/64/563947364.db2.gz NHLOEDSZPISJDQ-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN Cc1ccc(OCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 ZINC000008506220 563948799 /nfs/dbraw/zinc/94/87/99/563948799.db2.gz CZKPGRDYQQOVOX-UHFFFAOYSA-N 0 0 310.309 4.137 50 5 DIBARN C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000068779110 563951308 /nfs/dbraw/zinc/95/13/08/563951308.db2.gz CVCNXWPRPISBTQ-LLVKDONJSA-N 0 0 318.398 4.072 50 5 DIBARN CC(=O)Cn1c2ccc(C)cc2c2nc3cc(C)c(C)cc3nc21 ZINC000009423882 563956012 /nfs/dbraw/zinc/95/60/12/563956012.db2.gz VJYGOQDSFJJKPF-UHFFFAOYSA-N 0 0 317.392 4.252 50 5 DIBARN CC(C)Sc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000010253302 563958435 /nfs/dbraw/zinc/95/84/35/563958435.db2.gz BVXLALDDRNPUGA-UHFFFAOYSA-N 0 0 316.382 4.348 50 5 DIBARN Cc1c(O[C@@H]2CCCCC2=O)ccc2c3ccccc3c(=O)oc12 ZINC000000407886 568413688 /nfs/dbraw/zinc/41/36/88/568413688.db2.gz JNWBZAIRJFMZGW-GOSISDBHSA-N 0 0 322.360 4.145 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002172515 568421025 /nfs/dbraw/zinc/42/10/25/568421025.db2.gz HQYHCTFFBONJJA-UHFFFAOYSA-N 0 0 323.711 4.340 50 5 DIBARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013511275 1036903396 /nfs/dbraw/zinc/90/33/96/1036903396.db2.gz FAVDDVFCEHOGER-KCXAZCMYSA-N 0 0 305.374 4.212 50 5 DIBARN C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 ZINC000015130207 1042495180 /nfs/dbraw/zinc/49/51/80/1042495180.db2.gz TXHAYJLPPBAFSK-CYBMUJFWSA-N 0 0 307.353 4.359 50 5 DIBARN CC(=O)c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000015173645 1042498523 /nfs/dbraw/zinc/49/85/23/1042498523.db2.gz REYAQZDWYQMKDV-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000015228445 1044491351 /nfs/dbraw/zinc/49/13/51/1044491351.db2.gz IHBZEBUBPFYVLC-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN COc1cc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1O ZINC000096792454 185388457 /nfs/dbraw/zinc/38/84/57/185388457.db2.gz IFNXODCXDUWXNA-ALCCZGGFSA-N 0 0 322.320 4.028 50 5 DIBARN O=C1CCCC[C@@H]1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000339733 190613022 /nfs/dbraw/zinc/61/30/22/190613022.db2.gz WRXAQOILZIHGFF-LBPRGKRZSA-N 0 0 319.304 4.217 50 5 DIBARN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Cl ZINC000000070398 180683493 /nfs/dbraw/zinc/68/34/93/180683493.db2.gz IXXKVRWGHCUYPK-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN Cc1ccc(NCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000000438216 180791389 /nfs/dbraw/zinc/79/13/89/180791389.db2.gz GTBWYMBEYJSVOW-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN O=[N+]([O-])c1cnccc1Sc1cccc(C(F)(F)F)c1 ZINC000000481373 180804158 /nfs/dbraw/zinc/80/41/58/180804158.db2.gz SWBNQXLVLFIRGT-UHFFFAOYSA-N 0 0 300.261 4.160 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2ccccc21 ZINC000002447463 180924436 /nfs/dbraw/zinc/92/44/36/180924436.db2.gz REPAGZYYZGBUNC-UHFFFAOYSA-N 0 0 316.316 4.391 50 5 DIBARN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000002485734 180927031 /nfs/dbraw/zinc/92/70/31/180927031.db2.gz YARWBRJPBHXDAX-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCC1CCCCC1 ZINC000002627271 180941184 /nfs/dbraw/zinc/94/11/84/180941184.db2.gz ZSYPDMFVGSWNDU-UHFFFAOYSA-N 0 0 320.389 4.293 50 5 DIBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004036957 181065896 /nfs/dbraw/zinc/06/58/96/181065896.db2.gz OJFXMZQGYCYNSI-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1ccc(NCCc2ccccc2)c(Br)c1 ZINC000004049752 181066941 /nfs/dbraw/zinc/06/69/41/181066941.db2.gz LOECHHCMYRUQIB-UHFFFAOYSA-N 0 0 321.174 4.012 50 5 DIBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000004056771 181067367 /nfs/dbraw/zinc/06/73/67/181067367.db2.gz MBXOPIVTHZMABE-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc2ccccc21 ZINC000004078807 181070423 /nfs/dbraw/zinc/07/04/23/181070423.db2.gz AFVSSYAYWFMQNF-CSKARUKUSA-N 0 0 324.361 4.461 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1ccccc1 ZINC000004126503 181076756 /nfs/dbraw/zinc/07/67/56/181076756.db2.gz DXKYFKZMGMVPIR-UHFFFAOYSA-N 0 0 310.275 4.268 50 5 DIBARN CCc1ccccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004859640 181164686 /nfs/dbraw/zinc/16/46/86/181164686.db2.gz SCVSNWVGRBFRQP-UHFFFAOYSA-N 0 0 310.309 4.007 50 5 DIBARN CCOc1cc2nc3c4ccccc4n(C)c3nc2cc1OCC ZINC000004869688 181166367 /nfs/dbraw/zinc/16/63/67/181166367.db2.gz FRIRXDLKCUSBQP-UHFFFAOYSA-N 0 0 321.380 4.072 50 5 DIBARN COc1ccccc1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004981433 181183456 /nfs/dbraw/zinc/18/34/56/181183456.db2.gz CNJVWDMOROJUHE-UHFFFAOYSA-N 0 0 312.247 4.366 50 5 DIBARN Cc1ccc(NC(=O)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000005093618 181202920 /nfs/dbraw/zinc/20/29/20/181202920.db2.gz HYKNPMTZJQLSLD-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2ccccc21 ZINC000005092789 181203111 /nfs/dbraw/zinc/20/31/11/181203111.db2.gz YTHHRAYEMQORKU-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN O=[N+]([O-])c1cccc([C@H]2NN=C3/C(=C/c4ccco4)CCC[C@H]32)c1 ZINC000005119906 181205862 /nfs/dbraw/zinc/20/58/62/181205862.db2.gz WEGBXOIQAUTKCU-KORIGIIASA-N 0 0 323.352 4.072 50 5 DIBARN CC(C)CCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006000789 181304903 /nfs/dbraw/zinc/30/49/03/181304903.db2.gz FURIWSWUOAFLTL-UHFFFAOYSA-N 0 0 324.376 4.426 50 5 DIBARN CSc1ccc(C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000006339764 181331707 /nfs/dbraw/zinc/33/17/07/181331707.db2.gz LDIKVYMCJIBTOM-UHFFFAOYSA-N 0 0 316.382 4.186 50 5 DIBARN COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1O ZINC000006831940 181396570 /nfs/dbraw/zinc/39/65/70/181396570.db2.gz RGFHTNNLRADCHW-VMPITWQZSA-N 0 0 322.320 4.028 50 5 DIBARN CCCN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000261494052 203073414 /nfs/dbraw/zinc/07/34/14/203073414.db2.gz OQZMXRGWEHNWTN-UHFFFAOYSA-N 0 0 314.341 4.148 50 5 DIBARN CCCC[C@@H](CC)CNC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000007350677 181457094 /nfs/dbraw/zinc/45/70/94/181457094.db2.gz BMMWFKUOSAOHDT-GFCCVEGCSA-N 0 0 309.435 4.098 50 5 DIBARN CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C ZINC000007530301 181473073 /nfs/dbraw/zinc/47/30/73/181473073.db2.gz GQOSYIHTPQUZFD-UHFFFAOYSA-N 0 0 315.398 4.127 50 5 DIBARN O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(C(F)(F)F)c1 ZINC000095215524 193424300 /nfs/dbraw/zinc/42/43/00/193424300.db2.gz IUIOJYGUUPQWKJ-UHFFFAOYSA-N 0 0 324.469 4.320 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccs1 ZINC000015837587 182021270 /nfs/dbraw/zinc/02/12/70/182021270.db2.gz YCJIZHJUTWEYCG-CYBMUJFWSA-N 0 0 317.370 4.025 50 5 DIBARN Cc1ccc(O[C@@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000016903844 182063979 /nfs/dbraw/zinc/06/39/79/182063979.db2.gz JYEOVEKRPPXQPD-LBPRGKRZSA-N 0 0 311.341 4.228 50 5 DIBARN Cc1ccc(O[C@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000016903842 182064023 /nfs/dbraw/zinc/06/40/23/182064023.db2.gz JYEOVEKRPPXQPD-GFCCVEGCSA-N 0 0 311.341 4.228 50 5 DIBARN O=[N+]([O-])c1cccnc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000020669159 182242036 /nfs/dbraw/zinc/24/20/36/182242036.db2.gz IDADEIQVJVMHRU-AWEZNQCLSA-N 0 0 303.749 4.206 50 5 DIBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000021030907 182261883 /nfs/dbraw/zinc/26/18/83/182261883.db2.gz DKEKGSNFYBRYQO-QMMMGPOBSA-N 0 0 312.156 4.470 50 5 DIBARN O=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)nc1 ZINC000032207040 182637998 /nfs/dbraw/zinc/63/79/98/182637998.db2.gz KWLCJNJJOHMIAU-UHFFFAOYSA-N 0 0 306.321 4.158 50 5 DIBARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000032754282 182660204 /nfs/dbraw/zinc/66/02/04/182660204.db2.gz RAEXYHFASRKOKP-LBPRGKRZSA-N 0 0 324.336 4.174 50 5 DIBARN Cc1cc(C)cc(O[C@@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000041146138 183176269 /nfs/dbraw/zinc/17/62/69/183176269.db2.gz BIOQOPXSNRAIGW-LBPRGKRZSA-N 0 0 311.341 4.228 50 5 DIBARN Cc1ccccc1[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110174129 256584655 /nfs/dbraw/zinc/58/46/55/256584655.db2.gz NRMSCOITGYKHPI-LLVKDONJSA-N 0 0 318.760 4.048 50 5 DIBARN CN(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000004771234 257267598 /nfs/dbraw/zinc/26/75/98/257267598.db2.gz DNFFOQTUGPVIOY-UHFFFAOYSA-N 0 0 311.769 4.045 50 5 DIBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000004575474 134462304 /nfs/dbraw/zinc/46/23/04/134462304.db2.gz KYUNCRLYSFICHA-UHFFFAOYSA-N 0 0 324.380 4.125 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cncc(Cl)c1 ZINC000000092964 563215916 /nfs/dbraw/zinc/21/59/16/563215916.db2.gz UPAUSKGXTNIVQJ-UHFFFAOYSA-N 0 0 318.638 4.454 50 5 DIBARN COc1ccc2c(c1)c1nc3cc4ccccc4cc3nc1n2C ZINC000000208465 563230727 /nfs/dbraw/zinc/23/07/27/563230727.db2.gz DNWATAFIOQWQDM-UHFFFAOYSA-N 0 0 313.360 4.437 50 5 DIBARN CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000000615562 563270195 /nfs/dbraw/zinc/27/01/95/563270195.db2.gz IUNGXWSBESUCOH-CMDGGOBGSA-N 0 0 317.316 4.051 50 5 DIBARN Cc1cc2nc3sc4nc5ccccc5nc4n3c2cc1C ZINC000001067385 563276461 /nfs/dbraw/zinc/27/64/61/563276461.db2.gz LVBIBZHJLZTGLR-UHFFFAOYSA-N 0 0 304.378 4.262 50 5 DIBARN Cc1ccc2c(c1)nc1sc(-c3ccc([N+](=O)[O-])cc3)cn21 ZINC000005351108 563330004 /nfs/dbraw/zinc/33/00/04/563330004.db2.gz UVCNIGKTZFAFCA-UHFFFAOYSA-N 0 0 309.350 4.433 50 5 DIBARN C[n+]1c2c(cc3ccccc31)c1ccc3ccccc3n1c2[S-] ZINC000013286044 563379987 /nfs/dbraw/zinc/37/99/87/563379987.db2.gz FJMLFMGJUIXCGZ-UHFFFAOYSA-O 0 0 315.421 4.464 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ncnc3c4ccccc4oc32)cc1 ZINC000033012187 563461841 /nfs/dbraw/zinc/46/18/41/563461841.db2.gz DLBWUVOCUKWBKA-UHFFFAOYSA-N 0 0 307.265 4.077 50 5 DIBARN CC(C)C(OC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)C1CC1 ZINC000001643367 563522480 /nfs/dbraw/zinc/52/24/80/563522480.db2.gz MUSYICBRKHFTOR-UHFFFAOYSA-N 0 0 305.374 4.212 50 5 DIBARN O=C(Nc1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102845 563543368 /nfs/dbraw/zinc/54/33/68/563543368.db2.gz ZHTVFNGKXLUFOL-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=Cc1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 ZINC000012336662 563567715 /nfs/dbraw/zinc/56/77/15/563567715.db2.gz MRVOMLIXLJEXAQ-UHFFFAOYSA-N 0 0 307.758 4.353 50 5 DIBARN Cc1cc2c(c(C)c1Cl)CN(c1cccc([N+](=O)[O-])c1)CO2 ZINC000000104595 563569725 /nfs/dbraw/zinc/56/97/25/563569725.db2.gz TWHJJHQVMHHBAX-UHFFFAOYSA-N 0 0 318.760 4.222 50 5 DIBARN Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cccn1-2 ZINC000000138147 563571857 /nfs/dbraw/zinc/57/18/57/563571857.db2.gz PSUWJUAPDPQOTE-SFHVURJKSA-N 0 0 305.337 4.209 50 5 DIBARN Cc1cc2sc(NC(=O)C3CCCCC3)nc2cc1[N+](=O)[O-] ZINC000000192899 563576745 /nfs/dbraw/zinc/57/67/45/563576745.db2.gz XPTQVTBXARUFFP-UHFFFAOYSA-N 0 0 319.386 4.032 50 5 DIBARN O=C(Sc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000000256791 563582233 /nfs/dbraw/zinc/58/22/33/563582233.db2.gz JITWTEFQSDRTGA-UHFFFAOYSA-N 0 0 310.334 4.076 50 5 DIBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C ZINC000000255710 563582316 /nfs/dbraw/zinc/58/23/16/563582316.db2.gz FQNPUSGXEQNJMB-UHFFFAOYSA-N 0 0 318.760 4.223 50 5 DIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])o1 ZINC000000259791 563582443 /nfs/dbraw/zinc/58/24/43/563582443.db2.gz RSSXDNJIKIVJNK-UHFFFAOYSA-N 0 0 320.304 4.011 50 5 DIBARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000000259008 563582504 /nfs/dbraw/zinc/58/25/04/563582504.db2.gz KQEQFJYYETUTSQ-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000265938 563583714 /nfs/dbraw/zinc/58/37/14/563583714.db2.gz GUQPSUMDOMLCPR-UHFFFAOYSA-N 0 0 316.332 4.284 50 5 DIBARN Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000000293365 563584780 /nfs/dbraw/zinc/58/47/80/563584780.db2.gz IKYBHSPWCFHYTA-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000303362 563587143 /nfs/dbraw/zinc/58/71/43/563587143.db2.gz HLBKJMRUYJLKSK-WEVVVXLNSA-N 0 0 316.744 4.209 50 5 DIBARN COc1ccc(Nc2cc(C)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000000319125 563587721 /nfs/dbraw/zinc/58/77/21/563587721.db2.gz UYEXXJXOPJFKRP-UHFFFAOYSA-N 0 0 309.325 4.204 50 5 DIBARN C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)[N+](=O)[O-] ZINC000000351859 563590030 /nfs/dbraw/zinc/59/00/30/563590030.db2.gz ACZSPAANHDWMBP-HJWRWDBZSA-N 0 0 308.131 4.347 50 5 DIBARN Cc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1Cl ZINC000033766121 563596927 /nfs/dbraw/zinc/59/69/27/563596927.db2.gz PAPXQBLQZCBFON-CLFYSBASSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000453551 563615814 /nfs/dbraw/zinc/61/58/14/563615814.db2.gz ODXMRXSOHJJQRC-WEVVVXLNSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000474509 563624319 /nfs/dbraw/zinc/62/43/19/563624319.db2.gz BHVWXMDAJBIZBZ-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC ZINC000000474524 563624746 /nfs/dbraw/zinc/62/47/46/563624746.db2.gz SLRJBZHEEZKASA-GHMZBOCLSA-N 0 0 312.797 4.287 50 5 DIBARN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000473626 563625018 /nfs/dbraw/zinc/62/50/18/563625018.db2.gz ZBRXTZOCAOLDAE-QPJJXVBHSA-N 0 0 320.707 4.039 50 5 DIBARN CC/C(=C/c1ccc(OC)c(OCc2ccccc2)c1)[N+](=O)[O-] ZINC000000069862 563628460 /nfs/dbraw/zinc/62/84/60/563628460.db2.gz KHPOTAFHGQKBSZ-WJDWOHSUSA-N 0 0 313.353 4.302 50 5 DIBARN O=C(Nc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000513725 563660211 /nfs/dbraw/zinc/66/02/11/563660211.db2.gz UUKUZFHZFOHOSZ-UHFFFAOYSA-N 0 0 308.293 4.107 50 5 DIBARN O=[N+]([O-])c1cccc(-c2noc(-c3cccc4ccccc43)n2)c1 ZINC000000562844 563670915 /nfs/dbraw/zinc/67/09/15/563670915.db2.gz WARCWUVFPAHMKV-UHFFFAOYSA-N 0 0 317.304 4.465 50 5 DIBARN COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000012513448 563796961 /nfs/dbraw/zinc/79/69/61/563796961.db2.gz CATYHGBXRVLPOQ-GFCCVEGCSA-N 0 0 323.352 4.325 50 5 DIBARN CSc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000012688506 563809958 /nfs/dbraw/zinc/80/99/58/563809958.db2.gz UWFMSSQYTSSMMY-SSDOTTSWSA-N 0 0 313.429 4.022 50 5 DIBARN O=[N+]([O-])c1c(Sc2ccc(Cl)cc2)nc2sccn21 ZINC000001395884 563816201 /nfs/dbraw/zinc/81/62/01/563816201.db2.gz XAVNXZVCVYPNIY-UHFFFAOYSA-N 0 0 311.775 4.109 50 5 DIBARN COC(=O)c1ccc(Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 ZINC000001403574 563817987 /nfs/dbraw/zinc/81/79/87/563817987.db2.gz ZNDOKRKOPDSYKC-UHFFFAOYSA-N 0 0 321.716 4.136 50 5 DIBARN Cc1cccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cn2)c1 ZINC000075110957 563860205 /nfs/dbraw/zinc/86/02/05/563860205.db2.gz TXQUYLUZPXTMBO-UHFFFAOYSA-N 0 0 323.352 4.098 50 5 DIBARN CCC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000013009853 563875617 /nfs/dbraw/zinc/87/56/17/563875617.db2.gz GODMWTZRYJLVMC-OAHLLOKOSA-N 0 0 312.369 4.426 50 5 DIBARN CCCCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001779926 563878017 /nfs/dbraw/zinc/87/80/17/563878017.db2.gz DYWKHIPBIRGOQZ-UHFFFAOYSA-N 0 0 314.341 4.026 50 5 DIBARN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000002648346 563882668 /nfs/dbraw/zinc/88/26/68/563882668.db2.gz IMILVVLIKUEUCM-LLVKDONJSA-N 0 0 318.760 4.299 50 5 DIBARN Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000007155756 563904002 /nfs/dbraw/zinc/90/40/02/563904002.db2.gz UTSKJXMXHBBKJM-AWNIVKPZSA-N 0 0 314.728 4.049 50 5 DIBARN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000009882252 563909121 /nfs/dbraw/zinc/90/91/21/563909121.db2.gz GSIDBAQKUVYUEE-LLVKDONJSA-N 0 0 318.354 4.497 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 ZINC000004007680 563909636 /nfs/dbraw/zinc/90/96/36/563909636.db2.gz GVRWGNJAOJZVFE-UHFFFAOYSA-N 0 0 322.286 4.176 50 5 DIBARN CCOC(=O)c1ccc2ccc3ccc(C(=O)OCC)cc3c2c1 ZINC000000392764 563915492 /nfs/dbraw/zinc/91/54/92/563915492.db2.gz MPWCPHQGUQHPEC-UHFFFAOYSA-N 0 0 322.360 4.346 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000002164813 563916663 /nfs/dbraw/zinc/91/66/63/563916663.db2.gz AKQUFSPAUCKJKS-SNAWJCMRSA-N 0 0 304.689 4.327 50 5 DIBARN CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000009095384 563927640 /nfs/dbraw/zinc/92/76/40/563927640.db2.gz MNWUWDOQHPPNCS-UHFFFAOYSA-N 0 0 312.369 4.268 50 5 DIBARN Cc1nn(C)c(Nc2cccc(Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000078727426 563929900 /nfs/dbraw/zinc/92/99/00/563929900.db2.gz CKJOGHYNXMAPIZ-UHFFFAOYSA-N 0 0 323.356 4.124 50 5 DIBARN O=[N+]([O-])c1c(N[C@@H]2CCc3ccccc32)ccc2ncccc21 ZINC000095353026 563931090 /nfs/dbraw/zinc/93/10/90/563931090.db2.gz BVVAASLCELPWIR-MRXNPFEDSA-N 0 0 305.337 4.242 50 5 DIBARN O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000002520602 563938441 /nfs/dbraw/zinc/93/84/41/563938441.db2.gz BEKYFBANQXVUGL-UHFFFAOYSA-N 0 0 322.723 4.072 50 5 DIBARN CC(C)(C)[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003080862 563941979 /nfs/dbraw/zinc/94/19/79/563941979.db2.gz ZRBVEFMUUZWOSD-HUUCEWRRSA-N 0 0 305.374 4.357 50 5 DIBARN O=[N+]([O-])c1cccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)[nH]2)c1 ZINC000067299952 563948754 /nfs/dbraw/zinc/94/87/54/563948754.db2.gz ZSRKFUKHLVWEEM-UHFFFAOYSA-N 0 0 309.281 4.165 50 5 DIBARN Cc1ccc2cccc(OC(=O)Nc3cccc([N+](=O)[O-])c3)c2n1 ZINC000008656996 563949565 /nfs/dbraw/zinc/94/95/65/563949565.db2.gz BSKATUWYGGNNJA-UHFFFAOYSA-N 0 0 323.308 4.062 50 5 DIBARN O=[N+]([O-])c1ccsc1[C@@H]1CC[C@H]1c1sccc1[N+](=O)[O-] ZINC000002172918 568420988 /nfs/dbraw/zinc/42/09/88/568420988.db2.gz LLVCNIADXAQLEU-HTQZYQBOSA-N 0 0 310.356 4.287 50 5 DIBARN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1c(F)cccc1Cl ZINC000002239657 568421161 /nfs/dbraw/zinc/42/11/61/568421161.db2.gz ZRLIRSOYAMMXOK-LBPRGKRZSA-N 0 0 318.735 4.369 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C\c2ccnc3ccccc23)c([N+](=O)[O-])c1 ZINC000211168680 1039869546 /nfs/dbraw/zinc/86/95/46/1039869546.db2.gz PXRRIZCQVLZEQM-WAYWQWQTSA-N 0 0 321.292 4.222 50 5 DIBARN CCc1cccc(C)c1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000464973 1040112864 /nfs/dbraw/zinc/11/28/64/1040112864.db2.gz QOVLELQKWAKEEJ-VAWYXSNFSA-N 0 0 310.353 4.118 50 5 DIBARN Cc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000000466037 1040114928 /nfs/dbraw/zinc/11/49/28/1040114928.db2.gz PYTHTKSQILLGAD-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2cccnc2Sc2ccccc2)nc1 ZINC000005800145 1044222009 /nfs/dbraw/zinc/22/20/09/1044222009.db2.gz OTASOYFDVPFKHE-UHFFFAOYSA-N 0 0 324.365 4.280 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccccc3F)nc2c1 ZINC000012746400 1045099171 /nfs/dbraw/zinc/09/91/71/1045099171.db2.gz PYUWCLLXMVETTG-XFFZJAGNSA-N 0 0 317.707 4.347 50 5 DIBARN COc1cccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC000033472304 1052778516 /nfs/dbraw/zinc/77/85/16/1052778516.db2.gz SOTCAMYODSULSB-NTMALXAHSA-N 0 0 306.321 4.322 50 5 DIBARN Cc1cc2ncc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc2cc1C ZINC000077024305 185071577 /nfs/dbraw/zinc/07/15/77/185071577.db2.gz HNNZXBQIPQCETR-UHFFFAOYSA-N 0 0 318.336 4.303 50 5 DIBARN O=[N+]([O-])c1c2nsnc2ccc1Oc1ccc(Cl)cc1 ZINC000000225538 180731782 /nfs/dbraw/zinc/73/17/82/180731782.db2.gz DHXGOOQTCQFYBM-UHFFFAOYSA-N 0 0 307.718 4.045 50 5 DIBARN CCc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288759 180748670 /nfs/dbraw/zinc/74/86/70/180748670.db2.gz SGRJQBOQODCQMX-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(C)C ZINC000000528386 180814106 /nfs/dbraw/zinc/81/41/06/180814106.db2.gz RPHRBKXHQXAEJR-UHFFFAOYSA-N 0 0 305.381 4.402 50 5 DIBARN Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc(C)c1Cl ZINC000000572111 180824225 /nfs/dbraw/zinc/82/42/25/180824225.db2.gz VXXILAFCDXIHEU-UHFFFAOYSA-N 0 0 319.744 4.393 50 5 DIBARN O=C(Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000003149107 180985556 /nfs/dbraw/zinc/98/55/56/180985556.db2.gz RNWMNYHYCQJZQK-UHFFFAOYSA-N 0 0 308.293 4.107 50 5 DIBARN O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1Cl ZINC000003882692 181052419 /nfs/dbraw/zinc/05/24/19/181052419.db2.gz CUCJHOGVWAZTHT-UHFFFAOYSA-N 0 0 307.737 4.346 50 5 DIBARN COc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003899346 181054468 /nfs/dbraw/zinc/05/44/68/181054468.db2.gz WLXQUTAUQBZRKG-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN Cc1ccc(Nc2c3cc([N+](=O)[O-])ccc3oc2[N+](=O)[O-])cc1 ZINC000004321352 181097400 /nfs/dbraw/zinc/09/74/00/181097400.db2.gz FUGKSQJVNMGZDP-UHFFFAOYSA-N 0 0 313.269 4.301 50 5 DIBARN O=[N+]([O-])c1ccc(N2[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000004363332 181102377 /nfs/dbraw/zinc/10/23/77/181102377.db2.gz IYKADAZSWAECEO-FWJOYPJLSA-N 0 0 309.152 4.288 50 5 DIBARN Cc1ccc(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC000004474619 181111437 /nfs/dbraw/zinc/11/14/37/181111437.db2.gz BCSSOYCHLKRKLR-UHFFFAOYSA-N 0 0 304.327 4.271 50 5 DIBARN CCCCCCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004506979 181116876 /nfs/dbraw/zinc/11/68/76/181116876.db2.gz AAJUILPBNLYONF-UHFFFAOYSA-N 0 0 316.357 4.165 50 5 DIBARN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000004508222 181117772 /nfs/dbraw/zinc/11/77/72/181117772.db2.gz FCSJJUMQAIAXER-CYBMUJFWSA-N 0 0 318.760 4.381 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000004689095 181136979 /nfs/dbraw/zinc/13/69/79/181136979.db2.gz BKKCRGZEYKIJDM-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc(F)cc1 ZINC000004793008 181152261 /nfs/dbraw/zinc/15/22/61/181152261.db2.gz BSZQBKPCBGZERV-UHFFFAOYSA-N 0 0 324.695 4.136 50 5 DIBARN Cc1ccc(NC(=O)Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000004799763 181153185 /nfs/dbraw/zinc/15/31/85/181153185.db2.gz UYISSUHWQPIVAQ-UHFFFAOYSA-N 0 0 320.732 4.476 50 5 DIBARN Cc1ccc(NC(=O)SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004799901 181153331 /nfs/dbraw/zinc/15/33/31/181153331.db2.gz UISNSONREJUYCC-UHFFFAOYSA-N 0 0 302.355 4.369 50 5 DIBARN Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000004803596 181153683 /nfs/dbraw/zinc/15/36/83/181153683.db2.gz JLGFUTHDMPBANQ-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000004819181 181156255 /nfs/dbraw/zinc/15/62/55/181156255.db2.gz CYMLCRUHJCBYTJ-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004833006 181158744 /nfs/dbraw/zinc/15/87/44/181158744.db2.gz QXEXVMJLKIICFT-LBPRGKRZSA-N 0 0 316.382 4.023 50 5 DIBARN O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC000004845114 181162370 /nfs/dbraw/zinc/16/23/70/181162370.db2.gz GQTCMJDMKIJYGQ-UHFFFAOYSA-N 0 0 320.348 4.319 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Br)c1 ZINC000004891795 181168388 /nfs/dbraw/zinc/16/83/88/181168388.db2.gz RGJLULZVNWIVJE-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN Cc1cc([N+](=O)[O-])cc2nc(Cc3ccc(Cl)cc3)oc21 ZINC000073639281 191335138 /nfs/dbraw/zinc/33/51/38/191335138.db2.gz XLGCYRAKPWGMSS-UHFFFAOYSA-N 0 0 302.717 4.289 50 5 DIBARN CC(=O)Nc1ccc(Sc2ccccc2[N+](=O)[O-])cc1C ZINC000005060693 181199190 /nfs/dbraw/zinc/19/91/90/181199190.db2.gz AGAYZZJNWNGSPN-UHFFFAOYSA-N 0 0 302.355 4.013 50 5 DIBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1cccs1 ZINC000006660874 181366315 /nfs/dbraw/zinc/36/63/15/181366315.db2.gz FRYRTKMMBZOREQ-UHFFFAOYSA-N 0 0 321.357 4.260 50 5 DIBARN CC(=O)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000008149292 181530883 /nfs/dbraw/zinc/53/08/83/181530883.db2.gz RGJHLEGLMQIDOH-UHFFFAOYSA-N 0 0 318.760 4.105 50 5 DIBARN O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3)c[nH]2)c1 ZINC000008769908 181584571 /nfs/dbraw/zinc/58/45/71/181584571.db2.gz AYIROYPNUAHWPU-UHFFFAOYSA-N 0 0 311.366 4.277 50 5 DIBARN CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(C)c1 ZINC000009095417 181600989 /nfs/dbraw/zinc/60/09/89/181600989.db2.gz IFQYELLZPHHUCH-UHFFFAOYSA-N 0 0 312.369 4.268 50 5 DIBARN CC(=O)n1c2ccc(C)cc2c2nc3cc(C)c(C)cc3nc21 ZINC000013681211 181878660 /nfs/dbraw/zinc/87/86/60/181878660.db2.gz MLUKTQPOKDOUBP-UHFFFAOYSA-N 0 0 303.365 4.323 50 5 DIBARN Cc1c(C(=O)Nc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000015302050 181995042 /nfs/dbraw/zinc/99/50/42/181995042.db2.gz JKSSHCSFSHNUMD-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000015837597 182021201 /nfs/dbraw/zinc/02/12/01/182021201.db2.gz CDHYCDBYTUDKJR-ZDUSSCGKSA-N 0 0 317.370 4.025 50 5 DIBARN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000018174659 182096487 /nfs/dbraw/zinc/09/64/87/182096487.db2.gz GIYOCPHZSFSFKX-JTQLQIEISA-N 0 0 319.748 4.131 50 5 DIBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(N1CCCCC1)O2 ZINC000019905380 182162349 /nfs/dbraw/zinc/16/23/49/182162349.db2.gz YNVCWGSXSPXVJS-GOSISDBHSA-N 0 0 314.385 4.127 50 5 DIBARN COc1ccc([C@@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000021364104 182272879 /nfs/dbraw/zinc/27/28/79/182272879.db2.gz OZNLPJBAGQGZNU-HNNXBMFYSA-N 0 0 316.332 4.084 50 5 DIBARN O=[N+]([O-])c1c(Oc2cc(Cl)cc(Cl)c2)nc2ccccn21 ZINC000021673711 182283517 /nfs/dbraw/zinc/28/35/17/182283517.db2.gz MMYYSFPTSGXFQL-UHFFFAOYSA-N 0 0 324.123 4.342 50 5 DIBARN O=C1NC(=O)C(=Cc2c3ccccc3cc3ccccc32)S1 ZINC000023411446 182359963 /nfs/dbraw/zinc/35/99/63/182359963.db2.gz MUPCQOPJEWLLSO-YBEGLDIGSA-N 0 0 305.358 4.317 50 5 DIBARN Cc1cc(OCc2cc(F)cc3cccnc32)ccc1[N+](=O)[O-] ZINC000031617026 182617195 /nfs/dbraw/zinc/61/71/95/182617195.db2.gz KIODPFBWTQOEBH-UHFFFAOYSA-N 0 0 312.300 4.170 50 5 DIBARN O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CCCC2)c(F)c1 ZINC000040153850 183040791 /nfs/dbraw/zinc/04/07/91/183040791.db2.gz WFESTOZVYXIRJN-UHFFFAOYSA-N 0 0 319.311 4.217 50 5 DIBARN O=[N+]([O-])c1c(NCc2cccc3ccccc32)nc2ccccn21 ZINC000063736190 184287578 /nfs/dbraw/zinc/28/75/78/184287578.db2.gz CFVKMXBFUNDHLV-UHFFFAOYSA-N 0 0 318.336 4.008 50 5 DIBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000000129442 257242985 /nfs/dbraw/zinc/24/29/85/257242985.db2.gz BVKIYXKJKWFBRF-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN Cc1cccc(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000129573 257266358 /nfs/dbraw/zinc/26/63/58/257266358.db2.gz RYESANRNIDLQPB-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCCCCC1 ZINC000004137907 134458433 /nfs/dbraw/zinc/45/84/33/134458433.db2.gz MFJGFOICIKADJP-UHFFFAOYSA-N 0 0 321.396 4.105 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000000476975 331463151 /nfs/dbraw/zinc/46/31/51/331463151.db2.gz ZMBYWCPUULJLRQ-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN O=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1Cl ZINC000013790840 331545700 /nfs/dbraw/zinc/54/57/00/331545700.db2.gz AMSIEKZPWXXDQB-UHFFFAOYSA-N 0 0 307.762 4.057 50 5 DIBARN O=C(Oc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000298898 563586929 /nfs/dbraw/zinc/58/69/29/563586929.db2.gz MKUBHCKNLWUUAB-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN CC(C)CN(CC(C)C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000441657 563614672 /nfs/dbraw/zinc/61/46/72/563614672.db2.gz WVBXRJKHPQYQDJ-UHFFFAOYSA-N 0 0 312.797 4.002 50 5 DIBARN O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1c(F)cccc1Cl ZINC000000101248 563216963 /nfs/dbraw/zinc/21/69/63/563216963.db2.gz HFPXJKGCRZFSQB-OAHLLOKOSA-N 0 0 305.692 4.230 50 5 DIBARN O=C(c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000162119 563225829 /nfs/dbraw/zinc/22/58/29/563225829.db2.gz JPPGTVYDWHSNLJ-UHFFFAOYSA-N 0 0 300.313 4.177 50 5 DIBARN c1ccc2c(c1)c1ccccc1c1nc(N3CCCCC3)nnc21 ZINC000000174101 563227995 /nfs/dbraw/zinc/22/79/95/563227995.db2.gz KMBPXSAMLPKUFU-UHFFFAOYSA-N 0 0 314.392 4.322 50 5 DIBARN CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc21 ZINC000000393157 563250035 /nfs/dbraw/zinc/25/00/35/563250035.db2.gz BVPQUFPFMVPKTA-UHFFFAOYSA-N 0 0 322.360 4.119 50 5 DIBARN O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004344414 563370638 /nfs/dbraw/zinc/37/06/38/563370638.db2.gz HNKNQFPHXUOLQW-UHFFFAOYSA-N 0 0 310.265 4.430 50 5 DIBARN COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2C(C)=O ZINC000013736118 563388048 /nfs/dbraw/zinc/38/80/48/563388048.db2.gz WNDULFASDIBPBZ-UHFFFAOYSA-N 0 0 319.364 4.023 50 5 DIBARN Cc1nc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cs1 ZINC000032825895 563399544 /nfs/dbraw/zinc/39/95/44/563399544.db2.gz DEJCLYCEGRJLMA-UHFFFAOYSA-N 0 0 317.395 4.074 50 5 DIBARN O=c1c2cc(Br)ccc2ccc2ncc(Cl)cc21 ZINC000034841855 563451892 /nfs/dbraw/zinc/45/18/92/563451892.db2.gz BREDBBFHVAQHCD-UHFFFAOYSA-N 0 0 320.573 4.164 50 5 DIBARN O=[N+]([O-])c1cccc([C@H]2NN=C3/C(=C/c4ccco4)CCC[C@@H]32)c1 ZINC000013757815 563469847 /nfs/dbraw/zinc/46/98/47/563469847.db2.gz WEGBXOIQAUTKCU-HZTRFMAJSA-N 0 0 323.352 4.072 50 5 DIBARN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000000056620 563513256 /nfs/dbraw/zinc/51/32/56/563513256.db2.gz PSXPTGAEJZYNFI-IBGZPJMESA-N 0 0 322.364 4.124 50 5 DIBARN Cc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000000069231 563516127 /nfs/dbraw/zinc/51/61/27/563516127.db2.gz FDMJCJMSRLMQFO-UHFFFAOYSA-N 0 0 311.366 4.139 50 5 DIBARN CC(C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000000072013 563520724 /nfs/dbraw/zinc/52/07/24/563520724.db2.gz DNNPAYODTDGISE-UHFFFAOYSA-N 0 0 308.341 4.025 50 5 DIBARN O=[N+]([O-])c1ccc2oc([C@H](O)c3cccc(Cl)c3)cc2c1 ZINC000000083738 563524304 /nfs/dbraw/zinc/52/43/04/563524304.db2.gz LZUJVVSSNKDVHT-OAHLLOKOSA-N 0 0 303.701 4.076 50 5 DIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000000103216 563543489 /nfs/dbraw/zinc/54/34/89/563543489.db2.gz ZDCNKUZQMGPRIV-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(Cl)cc1Cl ZINC000000120579 563571292 /nfs/dbraw/zinc/57/12/92/563571292.db2.gz XZKSCAWKUFROPR-UHFFFAOYSA-N 0 0 314.124 4.186 50 5 DIBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc32)N1 ZINC000000124168 563571595 /nfs/dbraw/zinc/57/15/95/563571595.db2.gz OULQVGXMYCRFAL-INIZCTEOSA-N 0 0 318.332 4.222 50 5 DIBARN O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccccc1 ZINC000000263364 563583164 /nfs/dbraw/zinc/58/31/64/563583164.db2.gz XPZSUUIUSBIZTE-UHFFFAOYSA-N 0 0 315.328 4.199 50 5 DIBARN Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000000311577 563587809 /nfs/dbraw/zinc/58/78/09/563587809.db2.gz VGSBVVOTOAUCSW-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN Cc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000000335669 563589093 /nfs/dbraw/zinc/58/90/93/563589093.db2.gz OTHHXOPXEHFVEM-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000442354 563614972 /nfs/dbraw/zinc/61/49/72/563614972.db2.gz GDKNBFKENWRYLL-CYBMUJFWSA-N 0 0 318.760 4.381 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000456028 563615457 /nfs/dbraw/zinc/61/54/57/563615457.db2.gz WUCPWMLLFPRZTC-SOFGYWHQSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(/C=C/c1cccc2ccccc12)Nc1cccc([N+](=O)[O-])c1 ZINC000000454549 563615727 /nfs/dbraw/zinc/61/57/27/563615727.db2.gz XZUIQHSTXPVJKP-VAWYXSNFSA-N 0 0 318.332 4.400 50 5 DIBARN O=c1oc2ccc3ccccc3c2cc1-c1cn2ccsc2n1 ZINC000000497591 563650958 /nfs/dbraw/zinc/65/09/58/563650958.db2.gz OTFIBBSPZPBMHB-UHFFFAOYSA-N 0 0 318.357 4.322 50 5 DIBARN COc1ccccc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000048356484 563697611 /nfs/dbraw/zinc/69/76/11/563697611.db2.gz PPHJHHDWBJZYOX-UHFFFAOYSA-N 0 0 312.350 4.394 50 5 DIBARN CCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000618775 563698738 /nfs/dbraw/zinc/69/87/38/563698738.db2.gz XYRQMYFSHWTCJM-UHFFFAOYSA-N 0 0 316.382 4.485 50 5 DIBARN CCc1cccc(CC)c1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000000620195 563703195 /nfs/dbraw/zinc/70/31/95/563703195.db2.gz WUQCBDDPCORGJY-UHFFFAOYSA-N 0 0 312.369 4.280 50 5 DIBARN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000000859818 563772476 /nfs/dbraw/zinc/77/24/76/563772476.db2.gz NGKLPNAEINKCFJ-LLVKDONJSA-N 0 0 318.760 4.381 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000001037210 563787310 /nfs/dbraw/zinc/78/73/10/563787310.db2.gz DDLBATRZSUIXAV-WEVVVXLNSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000001103551 563789071 /nfs/dbraw/zinc/78/90/71/563789071.db2.gz ABCOKEJWMFEXHF-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](c2ccco2)C1 ZINC000084697732 563829755 /nfs/dbraw/zinc/82/97/55/563829755.db2.gz PGAVGOWJMCKRTC-GWCFXTLKSA-N 0 0 321.764 4.214 50 5 DIBARN Cc1ccc(C(c2ccc(C)o2)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000075260940 563862152 /nfs/dbraw/zinc/86/21/52/563862152.db2.gz JONGDXLFTYKBJN-UHFFFAOYSA-N 0 0 313.309 4.283 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C2C=CCC[C@H]2CC1 ZINC000075287155 563863164 /nfs/dbraw/zinc/86/31/64/563863164.db2.gz RNJCOMWAWPUVHE-LRDDRELGSA-N 0 0 314.341 4.198 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@@H](c2cccs2)c2ccccc2)nc1 ZINC000013016009 563876711 /nfs/dbraw/zinc/87/67/11/563876711.db2.gz ZFNNMGJQUWGIDG-MRXNPFEDSA-N 0 0 311.366 4.253 50 5 DIBARN CC(C)N(C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000001753493 563877648 /nfs/dbraw/zinc/87/76/48/563877648.db2.gz OGUUAZQAVZXXJS-UHFFFAOYSA-N 0 0 317.320 4.181 50 5 DIBARN CCCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000001819110 563882099 /nfs/dbraw/zinc/88/20/99/563882099.db2.gz HCXQWHPPVOISMV-UHFFFAOYSA-N 0 0 311.341 4.088 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 ZINC000007738413 563918536 /nfs/dbraw/zinc/91/85/36/563918536.db2.gz QSMISRKPVNBOFU-UHFFFAOYSA-N 0 0 308.124 4.445 50 5 DIBARN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1c(F)cccc1Cl ZINC000002239656 563920763 /nfs/dbraw/zinc/92/07/63/563920763.db2.gz ZRLIRSOYAMMXOK-GFCCVEGCSA-N 0 0 318.735 4.369 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCCC1 ZINC000095350282 563931196 /nfs/dbraw/zinc/93/11/96/563931196.db2.gz LZVJQRUETHNZOS-UHFFFAOYSA-N 0 0 311.769 4.093 50 5 DIBARN CC(C)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002648347 563939906 /nfs/dbraw/zinc/93/99/06/563939906.db2.gz YBKPUNPMLVSAIL-ZDUSSCGKSA-N 0 0 312.369 4.460 50 5 DIBARN CC(C)(C)c1csc(=NSc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000003069716 563941914 /nfs/dbraw/zinc/94/19/14/563941914.db2.gz WSHGGTQLHDDUPP-UHFFFAOYSA-N 0 0 309.416 4.468 50 5 DIBARN CC(C)(C)C1CCC(OC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000003192172 563942684 /nfs/dbraw/zinc/94/26/84/563942684.db2.gz FTNNNHBJFVNQNB-UHFFFAOYSA-N 0 0 305.374 4.357 50 5 DIBARN Cc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000008237684 563947312 /nfs/dbraw/zinc/94/73/12/563947312.db2.gz HQDGTXOLECJKBE-LBPRGKRZSA-N 0 0 324.336 4.140 50 5 DIBARN O=C(Nc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009154427 563953550 /nfs/dbraw/zinc/95/35/50/563953550.db2.gz RFZRIMPPSWPTNS-UHFFFAOYSA-N 0 0 316.313 4.201 50 5 DIBARN CCOc1cc(Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000009217493 563954223 /nfs/dbraw/zinc/95/42/23/563954223.db2.gz OUGTZHOZCZQRES-UHFFFAOYSA-N 0 0 321.304 4.324 50 5 DIBARN O=[N+]([O-])c1cc(Cl)c(F)cc1OC(Cl)(Cl)Cl ZINC000095215485 1044760696 /nfs/dbraw/zinc/76/06/96/1044760696.db2.gz OJGSPBMEYAAVDP-UHFFFAOYSA-N 0 0 308.907 4.094 50 5 DIBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccc3ccccc3c21 ZINC000000276272 180746041 /nfs/dbraw/zinc/74/60/41/180746041.db2.gz VNMWWCHCIOIAND-KRWDZBQOSA-N 0 0 318.332 4.488 50 5 DIBARN CC[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000000311668 180756104 /nfs/dbraw/zinc/75/61/04/180756104.db2.gz OHWKKAAINFOOOP-OAHLLOKOSA-N 0 0 309.325 4.187 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])o1)N(c1ccccc1)c1ccccc1 ZINC000000492560 180806969 /nfs/dbraw/zinc/80/69/69/180806969.db2.gz XIUXZGPFLDEKMC-UHFFFAOYSA-N 0 0 308.293 4.166 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc21 ZINC000000567815 180823257 /nfs/dbraw/zinc/82/32/57/180823257.db2.gz LBZFWMRNYJDWPC-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1 ZINC000002888446 180967741 /nfs/dbraw/zinc/96/77/41/180967741.db2.gz ZJYBCRLLXIVOPE-RMKNXTFCSA-N 0 0 317.728 4.005 50 5 DIBARN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 ZINC000003278540 180999489 /nfs/dbraw/zinc/99/94/89/180999489.db2.gz FLSRTGFBOYMPRY-UHFFFAOYSA-N 0 0 316.363 4.168 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc(-c3nnco3)cc2)c(Cl)c1 ZINC000003447284 181021790 /nfs/dbraw/zinc/02/17/90/181021790.db2.gz CUEQUIRIKCQJDA-UHFFFAOYSA-N 0 0 317.688 4.091 50 5 DIBARN CSc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000003553797 181033992 /nfs/dbraw/zinc/03/39/92/181033992.db2.gz VPGLPCJBWFLKFD-UHFFFAOYSA-N 0 0 323.757 4.189 50 5 DIBARN O=[N+]([O-])c1ccc(NCc2cccs2)c(Br)c1 ZINC000004050196 181066605 /nfs/dbraw/zinc/06/66/05/181066605.db2.gz YUMPRRGDIQZISV-UHFFFAOYSA-N 0 0 313.176 4.031 50 5 DIBARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000003958775 181059420 /nfs/dbraw/zinc/05/94/20/181059420.db2.gz WDCPPIHVWKUQOJ-UHFFFAOYSA-N 0 0 314.385 4.058 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCCC1 ZINC000004419838 181109285 /nfs/dbraw/zinc/10/92/85/181109285.db2.gz KOQUJUDVZUBIGQ-UHFFFAOYSA-N 0 0 310.353 4.045 50 5 DIBARN CCc1ccc(Sn2c(C)nc3cc([N+](=O)[O-])ccc32)cc1 ZINC000004543026 181122337 /nfs/dbraw/zinc/12/23/37/181122337.db2.gz XTJJGEUZKPGUMJ-UHFFFAOYSA-N 0 0 313.382 4.371 50 5 DIBARN Cc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000004455686 181110678 /nfs/dbraw/zinc/11/06/78/181110678.db2.gz QYYGHKPXPSGPLS-UHFFFAOYSA-N 0 0 321.340 4.180 50 5 DIBARN CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Cl)c2c1 ZINC000004474814 181111858 /nfs/dbraw/zinc/11/18/58/181111858.db2.gz YMTUIACUSNJPBV-UHFFFAOYSA-N 0 0 302.717 4.348 50 5 DIBARN C/C(=C/c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004550250 181123838 /nfs/dbraw/zinc/12/38/38/181123838.db2.gz RXJFRZYBFSPSBN-LUAWRHEFSA-N 0 0 316.744 4.290 50 5 DIBARN C[C@H](CC(C)(C)[N+](=O)[O-])C(=O)OCC(C)(C)CCC(C)(C)C ZINC000004582935 181127379 /nfs/dbraw/zinc/12/73/79/181127379.db2.gz LIQSDCAMINJQJK-CYBMUJFWSA-N 0 0 315.454 4.464 50 5 DIBARN O=c1oc2ccccc2c(NC2CCCCCCC2)c1[N+](=O)[O-] ZINC000004547311 181123375 /nfs/dbraw/zinc/12/33/75/181123375.db2.gz KEACGRGCMZWRGA-UHFFFAOYSA-N 0 0 316.357 4.226 50 5 DIBARN Cc1ccc(NC(=O)c2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000004615022 181129868 /nfs/dbraw/zinc/12/98/68/181129868.db2.gz SYTCKCUQVKJROZ-UHFFFAOYSA-N 0 0 312.350 4.370 50 5 DIBARN O=C(Cc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000004698900 181138526 /nfs/dbraw/zinc/13/85/26/181138526.db2.gz DGEHKLLXXHFKGM-UHFFFAOYSA-N 0 0 324.311 4.068 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC000004702260 181139933 /nfs/dbraw/zinc/13/99/33/181139933.db2.gz KMRRNHLOEVIPRB-OWOJBTEDSA-N 0 0 320.688 4.032 50 5 DIBARN Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 ZINC000004725261 181142889 /nfs/dbraw/zinc/14/28/89/181142889.db2.gz BXULQFPAZFMONM-UHFFFAOYSA-N 0 0 324.380 4.354 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1Cl ZINC000004795257 181152666 /nfs/dbraw/zinc/15/26/66/181152666.db2.gz WDHLJPOTLILMKI-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000004796035 181153157 /nfs/dbraw/zinc/15/31/57/181153157.db2.gz QCFSUOZBCDRPIF-UHFFFAOYSA-N 0 0 307.693 4.208 50 5 DIBARN CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000004844777 181161931 /nfs/dbraw/zinc/16/19/31/181161931.db2.gz NYJYXCBLMACLRK-UHFFFAOYSA-N 0 0 302.296 4.383 50 5 DIBARN Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000004866160 181165634 /nfs/dbraw/zinc/16/56/34/181165634.db2.gz ZGDMXQAQSSIVLF-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004894369 181169263 /nfs/dbraw/zinc/16/92/63/181169263.db2.gz CDOGOOQKRKYEGX-VQHVLOKHSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1CCCC2 ZINC000005059575 181198527 /nfs/dbraw/zinc/19/85/27/181198527.db2.gz ADMBASVNSCLMEU-UHFFFAOYSA-N 0 0 311.337 4.001 50 5 DIBARN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000005059048 181198544 /nfs/dbraw/zinc/19/85/44/181198544.db2.gz RXSRTQHDEVILRE-JTQLQIEISA-N 0 0 305.717 4.166 50 5 DIBARN CCCCNc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000005064123 181199824 /nfs/dbraw/zinc/19/98/24/181199824.db2.gz TYIWFXOFNUUEEZ-UHFFFAOYSA-N 0 0 313.357 4.059 50 5 DIBARN COc1ccc(OCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000005195872 181215897 /nfs/dbraw/zinc/21/58/97/181215897.db2.gz QVUVNVVYUNMVLA-UHFFFAOYSA-N 0 0 309.321 4.336 50 5 DIBARN C[C@H](Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000238856374 202451537 /nfs/dbraw/zinc/45/15/37/202451537.db2.gz VVHKDSIQFRKYAZ-JTQLQIEISA-N 0 0 322.158 4.497 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC000006048634 181308010 /nfs/dbraw/zinc/30/80/10/181308010.db2.gz KFAYHVZUOCNDCH-XBXARRHUSA-N 0 0 321.292 4.222 50 5 DIBARN O=[N+]([O-])c1cccc(CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000006549589 181353225 /nfs/dbraw/zinc/35/32/25/181353225.db2.gz IGSRFJCBTIXOIN-UHFFFAOYSA-N 0 0 324.745 4.449 50 5 DIBARN Cc1nnc(COC(=O)c2c3ccccc3cc3ccccc32)o1 ZINC000006643773 181364668 /nfs/dbraw/zinc/36/46/68/181364668.db2.gz TWOWHWYJMJMKMA-UHFFFAOYSA-N 0 0 318.332 4.041 50 5 DIBARN Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000006831212 181396286 /nfs/dbraw/zinc/39/62/86/181396286.db2.gz XGKJDQFIFYDWKJ-UHFFFAOYSA-N 0 0 321.789 4.366 50 5 DIBARN O=C(c1cc2ccccc2o1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000011159448 181685902 /nfs/dbraw/zinc/68/59/02/181685902.db2.gz NAJHJLCGFYDRNZ-UHFFFAOYSA-N 0 0 307.261 4.318 50 5 DIBARN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000012557487 181776590 /nfs/dbraw/zinc/77/65/90/181776590.db2.gz XTXMAHDRBUJJSY-NSHDSACASA-N 0 0 311.316 4.455 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000015837595 182020953 /nfs/dbraw/zinc/02/09/53/182020953.db2.gz CDHYCDBYTUDKJR-CYBMUJFWSA-N 0 0 317.370 4.025 50 5 DIBARN CC[C@@H](C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000016225904 182037686 /nfs/dbraw/zinc/03/76/86/182037686.db2.gz OZSQWXJJWTWEAC-IRBPBCMDSA-N 0 0 304.390 4.034 50 5 DIBARN Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1 ZINC000017139083 182077275 /nfs/dbraw/zinc/07/72/75/182077275.db2.gz WYLAKENCXDLFIA-UHFFFAOYSA-N 0 0 306.325 4.104 50 5 DIBARN [O-][n+]1ccccc1SCc1nc2ccccc2c2ccccc12 ZINC000020033652 182182107 /nfs/dbraw/zinc/18/21/07/182182107.db2.gz XPUMZQHOVGVWOY-UHFFFAOYSA-N 0 0 318.401 4.314 50 5 DIBARN CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000044085338 183394477 /nfs/dbraw/zinc/39/44/77/183394477.db2.gz FKJCGTQNIIKLJY-UHFFFAOYSA-N 0 0 311.366 4.169 50 5 DIBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ncccc1[N+](=O)[O-] ZINC000058356669 184108448 /nfs/dbraw/zinc/10/84/48/184108448.db2.gz ZJNDDPJJYKYXNY-LBPRGKRZSA-N 0 0 301.346 4.017 50 5 DIBARN O=[N+]([O-])c1ccc(NCc2ccc(Oc3ccccc3)nc2)cc1 ZINC000060333596 184146177 /nfs/dbraw/zinc/14/61/77/184146177.db2.gz BEPIATIUZJVSMV-UHFFFAOYSA-N 0 0 321.336 4.394 50 5 DIBARN O=c1c2cccc3ccc4c(=O)c5cccc6ccc1c(c65)-c4c32 ZINC000001231712 563280124 /nfs/dbraw/zinc/28/01/24/563280124.db2.gz PGEHNUUBUQTUJB-UHFFFAOYSA-N 0 0 306.320 4.438 50 5 DIBARN c1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1 ZINC000009419488 563353572 /nfs/dbraw/zinc/35/35/72/563353572.db2.gz SCDZWSQTKQVJKM-UHFFFAOYSA-N 0 0 310.360 4.181 50 5 DIBARN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 ZINC000011234082 563504234 /nfs/dbraw/zinc/50/42/34/563504234.db2.gz NIVIJRIIUYMXGO-GOSISDBHSA-N 0 0 324.380 4.093 50 5 DIBARN O=[N+]([O-])c1cnc(Sc2ccccc2)c(C(F)(F)F)c1 ZINC000000078398 563520530 /nfs/dbraw/zinc/52/05/30/563520530.db2.gz DUZPGAIWLMTDBK-UHFFFAOYSA-N 0 0 300.261 4.160 50 5 DIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(Cl)c1 ZINC000000083698 563523912 /nfs/dbraw/zinc/52/39/12/563523912.db2.gz SDDQHUMCQBPTMU-UHFFFAOYSA-N 0 0 301.685 4.225 50 5 DIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000101948 563543248 /nfs/dbraw/zinc/54/32/48/563543248.db2.gz SUFGASWKVLSBAQ-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102843 563543401 /nfs/dbraw/zinc/54/34/01/563543401.db2.gz QGHYRUAHEWBJJJ-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000103246 563543458 /nfs/dbraw/zinc/54/34/58/563543458.db2.gz DMGMXRLWUJIPNI-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=Cc1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000000107259 563543884 /nfs/dbraw/zinc/54/38/84/563543884.db2.gz YPVHXXSMRUCFNQ-UHFFFAOYSA-N 0 0 307.305 4.140 50 5 DIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1F ZINC000014494001 563567794 /nfs/dbraw/zinc/56/77/94/563567794.db2.gz XCUPCUDUCZBSAM-SOFGYWHQSA-N 0 0 320.707 4.039 50 5 DIBARN COc1ccc(Sc2sc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000000125364 563571500 /nfs/dbraw/zinc/57/15/00/563571500.db2.gz NFHKFSUVGRIBAO-UHFFFAOYSA-N 0 0 309.368 4.019 50 5 DIBARN O=C(c1ccco1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000123493 563571667 /nfs/dbraw/zinc/57/16/67/563571667.db2.gz DHJQWPFOKXQNGN-UHFFFAOYSA-N 0 0 322.320 4.035 50 5 DIBARN Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)c1cccn1-2 ZINC000000138150 563572160 /nfs/dbraw/zinc/57/21/60/563572160.db2.gz PSUWJUAPDPQOTE-GOSISDBHSA-N 0 0 305.337 4.209 50 5 DIBARN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000000162155 563573816 /nfs/dbraw/zinc/57/38/16/563573816.db2.gz AZZVYIDATNYVSN-IBGZPJMESA-N 0 0 322.364 4.124 50 5 DIBARN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000000172048 563574566 /nfs/dbraw/zinc/57/45/66/563574566.db2.gz AAXXSVQIHAYFBN-UHFFFAOYSA-N 0 0 312.350 4.394 50 5 DIBARN Cc1cc([N+](=O)[O-])cc2sc(NC(=O)C3CCCCC3)nc21 ZINC000000192901 563576843 /nfs/dbraw/zinc/57/68/43/563576843.db2.gz YSEMNYIRCIWYOL-UHFFFAOYSA-N 0 0 319.386 4.032 50 5 DIBARN O=C(Nc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000217148 563577975 /nfs/dbraw/zinc/57/79/75/563577975.db2.gz NXTHCSCXNMDRJF-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000259057 563582610 /nfs/dbraw/zinc/58/26/10/563582610.db2.gz QTIYHPKNUYRHTR-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000000258888 563582919 /nfs/dbraw/zinc/58/29/19/563582919.db2.gz WHBQOTDLQDEFTQ-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000000288667 563584768 /nfs/dbraw/zinc/58/47/68/563584768.db2.gz ZXDPCSLMFQWROS-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1ccc(-c2csc(N3CCCCCC3)n2)cc1 ZINC000000307275 563586680 /nfs/dbraw/zinc/58/66/80/563586680.db2.gz MBYRHGKOUBURHB-UHFFFAOYSA-N 0 0 303.387 4.099 50 5 DIBARN Cc1cccc(OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000000338618 563588669 /nfs/dbraw/zinc/58/86/69/563588669.db2.gz ZPDROMUYPFSUHY-UHFFFAOYSA-N 0 0 323.304 4.382 50 5 DIBARN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Cl)c1 ZINC000000458585 563615691 /nfs/dbraw/zinc/61/56/91/563615691.db2.gz HZNVODNKEOUYSH-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000472186 563624200 /nfs/dbraw/zinc/62/42/00/563624200.db2.gz VOSKSEUTHLLLAF-SECBINFHSA-N 0 0 322.723 4.130 50 5 DIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1F ZINC000000476606 563624219 /nfs/dbraw/zinc/62/42/19/563624219.db2.gz SGCOMGHFNAGRFR-FPYGCLRLSA-N 0 0 320.707 4.039 50 5 DIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000000472118 563624983 /nfs/dbraw/zinc/62/49/83/563624983.db2.gz UJXKDGYQIXWAKM-SNVBAGLBSA-N 0 0 305.717 4.166 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1 ZINC000000476718 563627265 /nfs/dbraw/zinc/62/72/65/563627265.db2.gz JXQOKTVTHUBHIU-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN Cc1c(OC(=O)c2ccco2)ccc2c3ccccc3c(=O)oc12 ZINC000000550725 563670006 /nfs/dbraw/zinc/67/00/06/563670006.db2.gz BSQXDVJXOZQKEN-UHFFFAOYSA-N 0 0 320.300 4.067 50 5 DIBARN CC(C)Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000000550314 563670026 /nfs/dbraw/zinc/67/00/26/563670026.db2.gz CIFUYXKOVDGXAR-UHFFFAOYSA-N 0 0 308.341 4.025 50 5 DIBARN O=C(OCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000618226 563698519 /nfs/dbraw/zinc/69/85/19/563698519.db2.gz YGJLKCJGPJUFIG-UHFFFAOYSA-N 0 0 307.305 4.105 50 5 DIBARN CC(C)(C)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000618119 563698678 /nfs/dbraw/zinc/69/86/78/563698678.db2.gz HKCLXQMMBXYPIA-UHFFFAOYSA-N 0 0 313.353 4.249 50 5 DIBARN O=C(OCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000618088 563698717 /nfs/dbraw/zinc/69/87/17/563698717.db2.gz OZLTZGCVQYSSKP-UHFFFAOYSA-N 0 0 307.305 4.105 50 5 DIBARN Cc1c(NC(=O)c2csc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000001054104 563787714 /nfs/dbraw/zinc/78/77/14/563787714.db2.gz RSVFJSRDFOSZRF-UHFFFAOYSA-N 0 0 316.382 4.096 50 5 DIBARN Cn1ccnc1-c1c2ccccc2[nH]c1-c1ccc([N+](=O)[O-])cc1 ZINC000075271320 563862280 /nfs/dbraw/zinc/86/22/80/563862280.db2.gz HAOHKNVCSSMYDA-UHFFFAOYSA-N 0 0 318.336 4.144 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000036635946 563901958 /nfs/dbraw/zinc/90/19/58/563901958.db2.gz MAIRIOAZHVIBHI-UHFFFAOYSA-N 0 0 316.700 4.247 50 5 DIBARN Cc1ccc(NC(=S)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000013792968 563910032 /nfs/dbraw/zinc/91/00/32/563910032.db2.gz GEXDRFFKAYXORN-UHFFFAOYSA-N 0 0 321.789 4.366 50 5 DIBARN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000002544912 563938704 /nfs/dbraw/zinc/93/87/04/563938704.db2.gz WUZDYHRFRRQIAK-UHFFFAOYSA-N 0 0 318.760 4.303 50 5 DIBARN Cc1nc(CSc2nc3cc([N+](=O)[O-])ccc3s2)cs1 ZINC000002710612 563940430 /nfs/dbraw/zinc/94/04/30/563940430.db2.gz BUCSYBKRRJPORM-UHFFFAOYSA-N 0 0 323.424 4.262 50 5 DIBARN Cc1c(NC(=O)Nc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000002851909 563940933 /nfs/dbraw/zinc/94/09/33/563940933.db2.gz YAZYJGWOUSFHDP-UHFFFAOYSA-N 0 0 323.711 4.340 50 5 DIBARN Cc1sc2ncnc(Oc3ccccc3[N+](=O)[O-])c2c1C ZINC000003244993 563943150 /nfs/dbraw/zinc/94/31/50/563943150.db2.gz XJDDIYUUVQOGJJ-UHFFFAOYSA-N 0 0 301.327 4.009 50 5 DIBARN Cc1noc(-c2ccc(N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008587111 563949283 /nfs/dbraw/zinc/94/92/83/563949283.db2.gz CDEQFYSMVPLUJL-NSHDSACASA-N 0 0 324.340 4.126 50 5 DIBARN COc1cc(-c2cc(=O)c3ccc4ccccc4c3o2)ccc1O ZINC000041181954 563955783 /nfs/dbraw/zinc/95/57/83/563955783.db2.gz SDZZBZZDPFZNDX-UHFFFAOYSA-N 0 0 318.328 4.327 50 5 DIBARN CCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000027317456 568421032 /nfs/dbraw/zinc/42/10/32/568421032.db2.gz XURZUYOQUVLSNC-UHFFFAOYSA-N 0 0 322.723 4.202 50 5 DIBARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000181818 1044333362 /nfs/dbraw/zinc/33/33/62/1044333362.db2.gz MVNCHMZDVGJPJH-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F ZINC000002648187 1044629430 /nfs/dbraw/zinc/62/94/30/1044629430.db2.gz ZURQVSSIYQAWCE-QPJJXVBHSA-N 0 0 320.707 4.039 50 5 DIBARN O=[N+]([O-])c1cccc2ccc(/C=C\c3ccc4c(c3)OCO4)nc21 ZINC000096792261 1046946354 /nfs/dbraw/zinc/94/63/54/1046946354.db2.gz SZAZVYZAHTXPBI-DAXSKMNVSA-N 0 0 320.304 4.042 50 5 DIBARN CC(C)c1nnc(S/C=C\c2ccc([N+](=O)[O-])o2)n1C1CC1 ZINC000098042523 1047121781 /nfs/dbraw/zinc/12/17/81/1047121781.db2.gz IALGOOVIICGALX-FPLPWBNLSA-N 0 0 320.374 4.001 50 5 DIBARN COc1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC000096792264 185388602 /nfs/dbraw/zinc/38/86/02/185388602.db2.gz XKPCXHNZWNYHDW-UITAMQMPSA-N 0 0 306.321 4.322 50 5 DIBARN CCCCCC[P@](=O)(OC)Oc1ccc([N+](=O)[O-])cc1 ZINC000090440960 185296567 /nfs/dbraw/zinc/29/65/67/185296567.db2.gz RMJQAOXPKANPMM-FQEVSTJZSA-N 0 0 301.279 4.393 50 5 in-vitro DIBARN CCc1ccc([C@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)o1 ZINC000095409768 185357041 /nfs/dbraw/zinc/35/70/41/185357041.db2.gz UMKZXDQUECSXDF-HNNXBMFYSA-N 0 0 303.362 4.345 50 5 DIBARN CC[C@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000072277128 191098284 /nfs/dbraw/zinc/09/82/84/191098284.db2.gz DTFYXKLWFXLUQQ-CVEARBPZSA-N 0 0 311.385 4.152 50 5 DIBARN Cc1cc(-c2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000000087947 180688691 /nfs/dbraw/zinc/68/86/91/180688691.db2.gz RWZOWPOCSGGXAN-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN C[C@](C#N)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000116088 180697462 /nfs/dbraw/zinc/69/74/62/180697462.db2.gz RFQPADMFVLHYSN-HNNXBMFYSA-N 0 0 320.270 4.443 50 5 DIBARN O=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000451771 180795512 /nfs/dbraw/zinc/79/55/12/180795512.db2.gz NRGWDDPDOHNQJZ-UHFFFAOYSA-N 0 0 310.781 4.091 50 5 DIBARN Cc1cc(Cl)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471919 180801574 /nfs/dbraw/zinc/80/15/74/180801574.db2.gz WXTMXOZBXDRNPH-LLVKDONJSA-N 0 0 318.760 4.299 50 5 DIBARN CCc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000474987 180802825 /nfs/dbraw/zinc/80/28/25/180802825.db2.gz AUWDNLNYNWGSRC-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1Cl ZINC000003323231 181005556 /nfs/dbraw/zinc/00/55/56/181005556.db2.gz PAPXQBLQZCBFON-VQHVLOKHSA-N 0 0 316.744 4.209 50 5 DIBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1ccccc1 ZINC000004046646 181066441 /nfs/dbraw/zinc/06/64/41/181066441.db2.gz GWRXGXQOCOZBCJ-UHFFFAOYSA-N 0 0 311.385 4.197 50 5 DIBARN C[C@@H](Nc1cc(N2CCCC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000004104312 181073565 /nfs/dbraw/zinc/07/35/65/181073565.db2.gz ZLCCOZORKUJXSJ-CQSZACIVSA-N 0 0 311.385 4.368 50 5 DIBARN O=C1Cc2cc([N+](=O)[O-])ccc2N1c1c(Cl)cccc1Cl ZINC000004170735 181081889 /nfs/dbraw/zinc/08/18/89/181081889.db2.gz PZUMKSUWFBJQMS-UHFFFAOYSA-N 0 0 323.135 4.122 50 5 DIBARN CCCC[C@H](CC)CNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004184032 181082602 /nfs/dbraw/zinc/08/26/02/181082602.db2.gz OBKGKSUACQQVPV-LBPRGKRZSA-N 0 0 318.373 4.330 50 5 DIBARN Cc1cccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1C ZINC000004116752 181075425 /nfs/dbraw/zinc/07/54/25/181075425.db2.gz VGUSSVCIGNSVRI-UHFFFAOYSA-N 0 0 318.720 4.145 50 5 DIBARN O=[N+]([O-])c1cccc(C=Cc2nc3ccccc3c(=S)[nH]2)c1 ZINC000004387674 181106031 /nfs/dbraw/zinc/10/60/31/181106031.db2.gz YLSCPNXVHDPCAZ-CMDGGOBGSA-N 0 0 309.350 4.371 50 5 DIBARN C[C@H]1CCCC[C@@H]1OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583053 181127454 /nfs/dbraw/zinc/12/74/54/181127454.db2.gz JBGKXRXAOXUJQJ-ZANVPECISA-N 0 0 312.753 4.375 50 5 DIBARN C/C(=C\c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000004599276 181128923 /nfs/dbraw/zinc/12/89/23/181128923.db2.gz WHVPRUCNPAMVPL-PKNBQFBNSA-N 0 0 316.744 4.290 50 5 DIBARN Cc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C ZINC000004701828 181139298 /nfs/dbraw/zinc/13/92/98/181139298.db2.gz FLJZTZYGQXBZMM-UHFFFAOYSA-N 0 0 324.380 4.043 50 5 DIBARN COc1cccc2ccc(/C=C/c3cccc([N+](=O)[O-])c3)nc21 ZINC000004725639 181143106 /nfs/dbraw/zinc/14/31/06/181143106.db2.gz OYHXSJYTOUVORV-CSKARUKUSA-N 0 0 306.321 4.322 50 5 DIBARN COc1ccc(C)cc1Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC000004754403 181148352 /nfs/dbraw/zinc/14/83/52/181148352.db2.gz AQQILTSRTGYDRG-UHFFFAOYSA-N 0 0 309.325 4.204 50 5 DIBARN O=[N+]([O-])c1cccc2ccc(Nc3cccc4cccnc43)nc21 ZINC000004754664 181148526 /nfs/dbraw/zinc/14/85/26/181148526.db2.gz WQZYPEVMXHZJOS-UHFFFAOYSA-N 0 0 316.320 4.435 50 5 DIBARN CCc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000004994806 181187332 /nfs/dbraw/zinc/18/73/32/181187332.db2.gz QLDOXQQGAKMVRP-UHFFFAOYSA-N 0 0 310.309 4.007 50 5 DIBARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005032576 181194049 /nfs/dbraw/zinc/19/40/49/181194049.db2.gz ZICKBBVQIFKUCG-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN Cc1cccc(C)c1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005136229 181208276 /nfs/dbraw/zinc/20/82/76/181208276.db2.gz XTUUBDKVDUNQEX-UHFFFAOYSA-N 0 0 322.411 4.004 50 5 DIBARN Cc1ccc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005191405 181214841 /nfs/dbraw/zinc/21/48/41/181214841.db2.gz AYWWLKIUKJRLPR-UHFFFAOYSA-N 0 0 316.382 4.024 50 5 DIBARN O=C(Nc1cccc(F)c1)c1cccc2nc3ccccc3nc21 ZINC000005258871 181222883 /nfs/dbraw/zinc/22/28/83/181222883.db2.gz YVROTXDWVVYZHS-UHFFFAOYSA-N 0 0 317.323 4.174 50 5 DIBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000005603683 181262792 /nfs/dbraw/zinc/26/27/92/181262792.db2.gz HPMDHXODEJYNJQ-GRYCIOLGSA-N 0 0 311.403 4.274 50 5 DIBARN O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)c2ccncc21 ZINC000005939995 181298766 /nfs/dbraw/zinc/29/87/66/181298766.db2.gz CHJJAEKFYOTBOU-UHFFFAOYSA-N 0 0 313.744 4.409 50 5 DIBARN COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1O ZINC000006831936 181396224 /nfs/dbraw/zinc/39/62/24/181396224.db2.gz KXRMCDKXXYDLKG-VMPITWQZSA-N 0 0 322.320 4.028 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(Oc2ccccc2Br)c1 ZINC000094659273 193390261 /nfs/dbraw/zinc/39/02/61/193390261.db2.gz BMCBCKMNZVMMQL-UHFFFAOYSA-N 0 0 308.131 4.458 50 5 DIBARN Cn1c2nc3ccccc3nc2c2cccc(C(F)(F)F)c21 ZINC000009420150 181620265 /nfs/dbraw/zinc/62/02/65/181620265.db2.gz NTYACQAZYRVRKZ-UHFFFAOYSA-N 0 0 301.271 4.294 50 5 DIBARN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(F)cc1 ZINC000012557486 181776585 /nfs/dbraw/zinc/77/65/85/181776585.db2.gz XTXMAHDRBUJJSY-LLVKDONJSA-N 0 0 311.316 4.455 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccs1 ZINC000015837590 182021276 /nfs/dbraw/zinc/02/12/76/182021276.db2.gz YCJIZHJUTWEYCG-ZDUSSCGKSA-N 0 0 317.370 4.025 50 5 DIBARN COc1ccc([C@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000021364111 182273004 /nfs/dbraw/zinc/27/30/04/182273004.db2.gz OZNLPJBAGQGZNU-OAHLLOKOSA-N 0 0 316.332 4.084 50 5 DIBARN CC(C)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000022157957 182311162 /nfs/dbraw/zinc/31/11/62/182311162.db2.gz GSCTXJYCKSHDGJ-UHFFFAOYSA-N 0 0 302.359 4.171 50 5 DIBARN Cc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000023151938 182351626 /nfs/dbraw/zinc/35/16/26/182351626.db2.gz FTKSEZLSXNRWDR-GOSISDBHSA-N 0 0 324.380 4.053 50 5 DIBARN Cc1ccc(C)c(O[C@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000041146144 183176040 /nfs/dbraw/zinc/17/60/40/183176040.db2.gz SJZONIUZJIVMEI-GFCCVEGCSA-N 0 0 311.341 4.228 50 5 DIBARN O=[N+]([O-])c1cccc(N2COc3ccc4ccccc4c3C2)c1 ZINC000000189047 134431283 /nfs/dbraw/zinc/43/12/83/134431283.db2.gz WSEHOPYMPJRJGA-UHFFFAOYSA-N 0 0 306.321 4.105 50 5 DIBARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000103232 563543393 /nfs/dbraw/zinc/54/33/93/563543393.db2.gz AAOYGVPYAAIBPO-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1cccc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000369806 563590654 /nfs/dbraw/zinc/59/06/54/563590654.db2.gz JXICXKSNPZUYAE-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN Cc1nn2c3cc(N4CCCCC4)ccc3nc2c2ccccc12 ZINC000000558808 563266551 /nfs/dbraw/zinc/26/65/51/563266551.db2.gz BHYKZXQUUOZLKC-UHFFFAOYSA-N 0 0 316.408 4.334 50 5 DIBARN CC(C)C(OC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)C(C)C ZINC000003121836 563322431 /nfs/dbraw/zinc/32/24/31/563322431.db2.gz ULDMLAXZJLFVGR-UHFFFAOYSA-N 0 0 307.390 4.458 50 5 DIBARN Cc1ccc(C)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002532630 563329864 /nfs/dbraw/zinc/32/98/64/563329864.db2.gz USRXZYSDTNXDOI-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN Cc1nc(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 ZINC000032825891 563399397 /nfs/dbraw/zinc/39/93/97/563399397.db2.gz QDYUISAOKPTJEJ-UHFFFAOYSA-N 0 0 317.395 4.074 50 5 DIBARN Nc1c(Cl)cc(Nc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000032923319 563412763 /nfs/dbraw/zinc/41/27/63/563412763.db2.gz MCZSNCPZWHYNPE-UHFFFAOYSA-N 0 0 316.119 4.367 50 5 DIBARN Cc1cc(C(=O)Oc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000000068126 563518462 /nfs/dbraw/zinc/51/84/62/563518462.db2.gz KRBUGZCJOKKRBW-UHFFFAOYSA-N 0 0 307.305 4.276 50 5 DIBARN Cc1c(C(=O)Oc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000000068138 563518566 /nfs/dbraw/zinc/51/85/66/563518566.db2.gz RRTRJAGLNJQKGI-UHFFFAOYSA-N 0 0 307.305 4.276 50 5 DIBARN CCN(CC)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000000072023 563520462 /nfs/dbraw/zinc/52/04/62/563520462.db2.gz DVVPHMJKNKRDAI-UHFFFAOYSA-N 0 0 322.368 4.051 50 5 DIBARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000070325 563520735 /nfs/dbraw/zinc/52/07/35/563520735.db2.gz UULCWROEPJLRAY-UHFFFAOYSA-N 0 0 319.316 4.481 50 5 DIBARN O=C(Oc1ccc2occ([N+](=O)[O-])c2c1)c1ccc(Cl)cc1 ZINC000000109158 563543464 /nfs/dbraw/zinc/54/34/64/563543464.db2.gz SRXJTGIPQWWSHU-UHFFFAOYSA-N 0 0 317.684 4.214 50 5 DIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000000103139 563544082 /nfs/dbraw/zinc/54/40/82/563544082.db2.gz MLTYTWJHFMJIFI-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1noc(C=CNc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000100151931 563567199 /nfs/dbraw/zinc/56/71/99/563567199.db2.gz GTIIYTRQHZLGFQ-NSCUHMNNSA-N 0 0 314.128 4.281 50 5 DIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000000121336 563571392 /nfs/dbraw/zinc/57/13/92/563571392.db2.gz YNCSUQIVSHCHMF-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c2N1 ZINC000000124088 563571722 /nfs/dbraw/zinc/57/17/22/563571722.db2.gz OIPKUFBEQLIYMY-KRWDZBQOSA-N 0 0 318.332 4.222 50 5 DIBARN Cc1cc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000000149024 563572760 /nfs/dbraw/zinc/57/27/60/563572760.db2.gz AJIINXWMYFPYLS-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN O=[N+]([O-])c1ccccc1CSc1nc2ccccc2s1 ZINC000000230008 563579345 /nfs/dbraw/zinc/57/93/45/563579345.db2.gz QMXKSFKRFXVVNW-UHFFFAOYSA-N 0 0 302.380 4.497 50 5 DIBARN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 ZINC000000239308 563580672 /nfs/dbraw/zinc/58/06/72/563580672.db2.gz RQFQVOZIOOECDN-UHFFFAOYSA-N 0 0 311.316 4.203 50 5 DIBARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccc3ccccc3c21 ZINC000000276273 563584039 /nfs/dbraw/zinc/58/40/39/563584039.db2.gz VNMWWCHCIOIAND-QGZVFWFLSA-N 0 0 318.332 4.488 50 5 DIBARN Cc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1 ZINC000000281813 563584590 /nfs/dbraw/zinc/58/45/90/563584590.db2.gz WUAVDTAOAGEVKY-UHFFFAOYSA-N 0 0 324.380 4.354 50 5 DIBARN Cc1c(Cl)cccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000293194 563584832 /nfs/dbraw/zinc/58/48/32/563584832.db2.gz TZFTWBYGAUYBRS-CMDGGOBGSA-N 0 0 316.744 4.209 50 5 DIBARN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000000296549 563584839 /nfs/dbraw/zinc/58/48/39/563584839.db2.gz ZGVXHHWCZCWXNW-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000000311722 563587364 /nfs/dbraw/zinc/58/73/64/563587364.db2.gz UAWQLGODLZUUKW-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN COc1cc([N+](=O)[O-])c(OC)cc1Sc1ccc(C)cc1 ZINC000000362335 563590136 /nfs/dbraw/zinc/59/01/36/563590136.db2.gz PDJISJMRQRYBGA-UHFFFAOYSA-N 0 0 305.355 4.072 50 5 DIBARN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000000370779 563591320 /nfs/dbraw/zinc/59/13/20/563591320.db2.gz UYTPPLDEPKIWGP-OAHLLOKOSA-N 0 0 318.760 4.129 50 5 DIBARN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000438645 563613705 /nfs/dbraw/zinc/61/37/05/563613705.db2.gz QUWZCFFFDSUYSU-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN O=C(Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000436576 563614466 /nfs/dbraw/zinc/61/44/66/563614466.db2.gz RPJQOZSXHNWQTN-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000450427 563615543 /nfs/dbraw/zinc/61/55/43/563615543.db2.gz MEQXXBSYAOPFEW-WEVVVXLNSA-N 0 0 316.744 4.209 50 5 DIBARN O=C(CCCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000458509 563615572 /nfs/dbraw/zinc/61/55/72/563615572.db2.gz NEWUNKHEKODIHV-UHFFFAOYSA-N 0 0 318.760 4.210 50 5 DIBARN CCc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000476422 563624311 /nfs/dbraw/zinc/62/43/11/563624311.db2.gz KIQMLNGBAYYQQC-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000501413 563653493 /nfs/dbraw/zinc/65/34/93/563653493.db2.gz IWGIOYXZMYSGKW-UHFFFAOYSA-N 0 0 312.369 4.036 50 5 DIBARN Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000000541068 563668391 /nfs/dbraw/zinc/66/83/91/563668391.db2.gz GWZJVSMOXVKQKR-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000048289827 563695034 /nfs/dbraw/zinc/69/50/34/563695034.db2.gz KJDMQUZMBBNPQQ-KRWDZBQOSA-N 0 0 324.380 4.127 50 5 DIBARN COc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000051853007 563723784 /nfs/dbraw/zinc/72/37/84/563723784.db2.gz NNMNQLSECSNTMH-CQSZACIVSA-N 0 0 318.398 4.002 50 5 DIBARN Cc1ccc(OCc2cc(F)cc3cccnc32)c([N+](=O)[O-])c1 ZINC000031617237 563796294 /nfs/dbraw/zinc/79/62/94/563796294.db2.gz TZDFALXKVUVPFJ-UHFFFAOYSA-N 0 0 312.300 4.170 50 5 DIBARN Nc1nc2c3cc4c(nc3sc2c2ccccc12)CCCC4 ZINC000025868511 563818453 /nfs/dbraw/zinc/81/84/53/563818453.db2.gz JZOAVYUNVJRTEZ-UHFFFAOYSA-N 0 0 305.406 4.459 50 5 DIBARN O=[N+]([O-])c1ccsc1[C@@H]1CC[C@@H]1c1sccc1[N+](=O)[O-] ZINC000006345536 563872440 /nfs/dbraw/zinc/87/24/40/563872440.db2.gz LLVCNIADXAQLEU-OCAPTIKFSA-N 0 0 310.356 4.287 50 5 DIBARN O=[N+]([O-])c1ccc(F)cc1OCc1coc(-c2cccs2)n1 ZINC000007005446 563900881 /nfs/dbraw/zinc/90/08/81/563900881.db2.gz ATWUKYDUZZCAJC-UHFFFAOYSA-N 0 0 320.301 4.029 50 5 DIBARN Cc1ccc2sc(/C=C/c3ccc([O-])c([N+](=O)[O-])c3)nc2c1 ZINC000036834367 563904886 /nfs/dbraw/zinc/90/48/86/563904886.db2.gz BZLKGDNFUBXVPM-QPJJXVBHSA-N 0 0 312.350 4.389 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc3C2)c2ncccc12 ZINC000089857937 563911822 /nfs/dbraw/zinc/91/18/22/563911822.db2.gz BGHHXSFDCGJIEM-HNNXBMFYSA-N 0 0 319.364 4.112 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CCCCC2 ZINC000007915790 563920655 /nfs/dbraw/zinc/92/06/55/563920655.db2.gz QCKNUOWCJQASMK-UHFFFAOYSA-N 0 0 316.382 4.178 50 5 DIBARN CC(C)c1ccc(CNc2sc([C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000095940379 563932053 /nfs/dbraw/zinc/93/20/53/563932053.db2.gz ZSQRCOSVBKHJOG-NSHDSACASA-N 0 0 320.414 4.445 50 5 DIBARN CC(C)c1ccc(CNc2sc([C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000095940378 563932057 /nfs/dbraw/zinc/93/20/57/563932057.db2.gz ZSQRCOSVBKHJOG-LLVKDONJSA-N 0 0 320.414 4.445 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648343 563940068 /nfs/dbraw/zinc/94/00/68/563940068.db2.gz MTXVYCJQIVESFG-NSHDSACASA-N 0 0 318.760 4.299 50 5 DIBARN CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000002736420 563940531 /nfs/dbraw/zinc/94/05/31/563940531.db2.gz CHPSCHRIXMCMOF-UHFFFAOYSA-N 0 0 312.369 4.498 50 5 DIBARN CC(C)(C)[C@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003080861 563941929 /nfs/dbraw/zinc/94/19/29/563941929.db2.gz ZRBVEFMUUZWOSD-LSDHHAIUSA-N 0 0 305.374 4.357 50 5 DIBARN CCCCOC(=O)n1c2ccc([N+](=O)[O-])cc2sc1=S ZINC000003106432 563942144 /nfs/dbraw/zinc/94/21/44/563942144.db2.gz JWWXBAVBZSCTCB-UHFFFAOYSA-N 0 0 312.372 4.125 50 5 DIBARN CC(=O)c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000003273634 563943479 /nfs/dbraw/zinc/94/34/79/563943479.db2.gz HFPJRSCTGZSWLM-UHFFFAOYSA-N 0 0 305.717 4.030 50 5 DIBARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000031332132 563944299 /nfs/dbraw/zinc/94/42/99/563944299.db2.gz CQMUEJBZILTEGY-VIFPVBQESA-N 0 0 324.789 4.143 50 5 DIBARN O=c1c2ccc(-c3ccccc3)nc2[nH]c2ccc(Cl)cc12 ZINC000032275004 563945565 /nfs/dbraw/zinc/94/55/65/563945565.db2.gz JQYJMLNFCVUGAU-UHFFFAOYSA-N 0 0 306.752 4.397 50 5 DIBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1Sc1ccccn1 ZINC000004187977 563945609 /nfs/dbraw/zinc/94/56/09/563945609.db2.gz ZDFWHJLPSXVDJN-UHFFFAOYSA-N 0 0 315.398 4.131 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1NCc1ccc(C(C)C)cc1 ZINC000008192775 563947205 /nfs/dbraw/zinc/94/72/05/563947205.db2.gz XQADTSGXWHQLTR-UHFFFAOYSA-N 0 0 300.358 4.339 50 5 DIBARN Cc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1C ZINC000008318627 563947772 /nfs/dbraw/zinc/94/77/72/563947772.db2.gz DIZQFMOCNNWDBX-UHFFFAOYSA-N 0 0 305.384 4.072 50 5 DIBARN COC(=O)c1cc(-c2c3ccccc3cc3ccccc32)no1 ZINC000039931762 563951398 /nfs/dbraw/zinc/95/13/98/563951398.db2.gz LMGDLLDQTXBJJS-UHFFFAOYSA-N 0 0 303.317 4.435 50 5 DIBARN Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2n1 ZINC000009669099 568421966 /nfs/dbraw/zinc/42/19/66/568421966.db2.gz MTQZOWILURSVLI-UHFFFAOYSA-N 0 0 321.336 4.012 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccsc3)nc2c1 ZINC000051123311 1041478112 /nfs/dbraw/zinc/47/81/12/1041478112.db2.gz VXCQVFYBSISIKZ-BJMVGYQFSA-N 0 0 305.746 4.270 50 5 DIBARN Cc1cccc(C(C)C)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000609370 1041901136 /nfs/dbraw/zinc/90/11/36/1041901136.db2.gz UCIVEINOSFGIRR-UHFFFAOYSA-N 0 0 312.369 4.208 50 5 DIBARN O=C(/C=C\c1ccccc1Cl)OCc1ccc([N+](=O)[O-])cc1 ZINC000006438405 1044459992 /nfs/dbraw/zinc/45/99/92/1044459992.db2.gz BOJAQMUOHBPDDJ-YFHOEESVSA-N 0 0 317.728 4.005 50 5 DIBARN Cc1cc2cc(NC(=O)/C=C\c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000098006581 1047118725 /nfs/dbraw/zinc/11/87/25/1047118725.db2.gz ZONQXTAIBKXNKD-TWGQIWQCSA-N 0 0 321.336 4.036 50 5 DIBARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000461321 1049026226 /nfs/dbraw/zinc/02/62/26/1049026226.db2.gz NFRJGRJSTGIFLH-FMIVXFBMSA-N 0 0 310.353 4.118 50 5 DIBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Cl ZINC000000453230 334961161 /nfs/dbraw/zinc/96/11/61/334961161.db2.gz QKLOHOYACPCAOS-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000090538 180689522 /nfs/dbraw/zinc/68/95/22/180689522.db2.gz WJNPONNEXMSLPF-UHFFFAOYSA-N 0 0 313.231 4.415 50 5 DIBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc21)c1ccccc1 ZINC000000086981 180688271 /nfs/dbraw/zinc/68/82/71/180688271.db2.gz RGVYMDARSMLQKU-UHFFFAOYSA-N 0 0 316.312 4.165 50 5 biogenic DIBARN O=[N+]([O-])c1cccnc1Oc1ccc(C2SCCS2)cc1 ZINC000000115734 180697417 /nfs/dbraw/zinc/69/74/17/180697417.db2.gz NOLWCKXHEISVAD-UHFFFAOYSA-N 0 0 320.395 4.261 50 5 DIBARN Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000000292717 180749331 /nfs/dbraw/zinc/74/93/31/180749331.db2.gz OXUMEANZOMJJEB-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN COC(=O)Oc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(C)(C)C ZINC000072932930 191253750 /nfs/dbraw/zinc/25/37/50/191253750.db2.gz QBDLLAFFRJOLHZ-UHFFFAOYSA-N 0 0 309.362 4.335 50 5 DIBARN CCCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 ZINC000001471352 180869506 /nfs/dbraw/zinc/86/95/06/180869506.db2.gz JJSWGWVFKHTHGN-UHFFFAOYSA-N 0 0 321.380 4.165 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1NCc1cccc2ccccc21 ZINC000002760761 180953049 /nfs/dbraw/zinc/95/30/49/180953049.db2.gz XGDOMPMNOGSQOX-UHFFFAOYSA-N 0 0 308.337 4.369 50 5 DIBARN CCCC[C@@H](CC)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002988239 180974701 /nfs/dbraw/zinc/97/47/01/180974701.db2.gz QLGCSVQNOOUWQB-LLVKDONJSA-N 0 0 312.797 4.194 50 5 DIBARN CSc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000003359828 181011249 /nfs/dbraw/zinc/01/12/49/181011249.db2.gz ZSBMSTGLKMJYNI-UHFFFAOYSA-N 0 0 316.382 4.186 50 5 DIBARN Cc1cc2ncn(-c3ccc([N+](=O)[O-])cc3Cl)c2cc1C ZINC000003446381 181021072 /nfs/dbraw/zinc/02/10/72/181021072.db2.gz JEWKEGWHEQNQSQ-UHFFFAOYSA-N 0 0 301.733 4.204 50 5 DIBARN CSc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000003553777 181034029 /nfs/dbraw/zinc/03/40/29/181034029.db2.gz FYOSBGMGIAIPLS-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1cc(Cl)ccc1O2 ZINC000003669530 181044416 /nfs/dbraw/zinc/04/44/16/181044416.db2.gz MOVYMGWOJYBXEG-UHFFFAOYSA-N 0 0 318.672 4.433 50 5 biogenic DIBARN Cc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000003900131 181055195 /nfs/dbraw/zinc/05/51/95/181055195.db2.gz LEFAOXDKUITOPR-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1SCc1ccco1 ZINC000004107200 181074314 /nfs/dbraw/zinc/07/43/14/181074314.db2.gz FWIHECDPGLQYHK-UHFFFAOYSA-N 0 0 304.371 4.080 50 5 DIBARN Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1C ZINC000004116730 181075447 /nfs/dbraw/zinc/07/54/47/181075447.db2.gz JVCKWHYGSORGPU-UHFFFAOYSA-N 0 0 318.720 4.145 50 5 DIBARN Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000004144878 181079020 /nfs/dbraw/zinc/07/90/20/181079020.db2.gz XPQMKORTUWTAMK-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(-c2nc3sccc3c(Cl)n2)cc1[N+](=O)[O-] ZINC000004205037 181084706 /nfs/dbraw/zinc/08/47/06/181084706.db2.gz VFZCVGPCRWMZHC-UHFFFAOYSA-N 0 0 305.746 4.228 50 5 DIBARN Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc32)cc1 ZINC000004426034 181108963 /nfs/dbraw/zinc/10/89/63/181108963.db2.gz APMQEEUVVAQOSL-UHFFFAOYSA-N 0 0 313.360 4.344 50 5 DIBARN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004390806 181106455 /nfs/dbraw/zinc/10/64/55/181106455.db2.gz CRSKALCZLHIBSD-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004390811 181106891 /nfs/dbraw/zinc/10/68/91/181106891.db2.gz RPWZBHXDPSODSN-UHFFFAOYSA-N 0 0 302.330 4.046 50 5 DIBARN O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004588382 181127281 /nfs/dbraw/zinc/12/72/81/181127281.db2.gz AMFKPOOXJSAHLU-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN C[C@@H](CC(C)(C)[N+](=O)[O-])C(=O)OCC(C)(C)CCC(C)(C)C ZINC000004582934 181127500 /nfs/dbraw/zinc/12/75/00/181127500.db2.gz LIQSDCAMINJQJK-ZDUSSCGKSA-N 0 0 315.454 4.464 50 5 DIBARN C[C@@H]1CCCC[C@H]1OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583054 181127544 /nfs/dbraw/zinc/12/75/44/181127544.db2.gz JBGKXRXAOXUJQJ-NOZJJQNGSA-N 0 0 312.753 4.375 50 5 DIBARN O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000004547792 181123240 /nfs/dbraw/zinc/12/32/40/181123240.db2.gz AYSXQXVKAQNYQD-OUKQBFOZSA-N 0 0 318.332 4.400 50 5 DIBARN Cc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004703980 181139636 /nfs/dbraw/zinc/13/96/36/181139636.db2.gz NMIBZKHJTIPNCI-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CCSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004704408 181139903 /nfs/dbraw/zinc/13/99/03/181139903.db2.gz UFWRKDDVKPYIMX-UHFFFAOYSA-N 0 0 316.382 4.268 50 5 DIBARN CCCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004773202 181150448 /nfs/dbraw/zinc/15/04/48/181150448.db2.gz OGWIGDIOYHGWEG-UHFFFAOYSA-N 0 0 321.255 4.124 50 5 DIBARN Cc1ccc(NC(=O)Oc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000004799745 181152983 /nfs/dbraw/zinc/15/29/83/181152983.db2.gz RCSRDEOPASDARV-UHFFFAOYSA-N 0 0 323.308 4.062 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000004803942 181153971 /nfs/dbraw/zinc/15/39/71/181153971.db2.gz XJWMQZYUHRJASG-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC[C@@H](C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000004892937 181169336 /nfs/dbraw/zinc/16/93/36/181169336.db2.gz OZSQWXJJWTWEAC-DBLGQFABSA-N 0 0 304.390 4.034 50 5 DIBARN C[C@H]1CCc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)csc2C1 ZINC000005235402 181219739 /nfs/dbraw/zinc/21/97/39/181219739.db2.gz BUNVXMVVBSRHCT-JTQLQIEISA-N 0 0 316.382 4.033 50 5 DIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000005967029 181302406 /nfs/dbraw/zinc/30/24/06/181302406.db2.gz WITRDGZMLNTVMD-JTQLQIEISA-N 0 0 305.717 4.166 50 5 DIBARN CC(C)(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000000076217 541310214 /nfs/dbraw/zinc/31/02/14/541310214.db2.gz NRKQAHRYKBNLTO-UHFFFAOYSA-N 0 0 305.355 4.173 50 5 DIBARN O=[N+]([O-])c1c(N[C@H]2CCc3ccccc32)ccc2ncccc21 ZINC000095353025 193427088 /nfs/dbraw/zinc/42/70/88/193427088.db2.gz BVVAASLCELPWIR-INIZCTEOSA-N 0 0 305.337 4.242 50 5 DIBARN Cc1ccccc1[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000012537503 181772835 /nfs/dbraw/zinc/77/28/35/181772835.db2.gz ZHYXJYXGPWTZDQ-SFHVURJKSA-N 0 0 320.348 4.467 50 5 DIBARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc([N+](=O)[O-])cc21 ZINC000015829443 182019320 /nfs/dbraw/zinc/01/93/20/182019320.db2.gz OWJBCKKJEXCOQV-UHFFFAOYSA-N 0 0 324.336 4.217 50 5 DIBARN CC[C@@H](C)N(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000016246974 182038596 /nfs/dbraw/zinc/03/85/96/182038596.db2.gz PLZBCQGFQYMMPW-SLBKMRNZSA-N 0 0 304.390 4.034 50 5 DIBARN O=[N+]([O-])c1ccc(Sc2ncc3ccccn32)c(Cl)c1 ZINC000018901192 182103325 /nfs/dbraw/zinc/10/33/25/182103325.db2.gz DEMKFHQNSSEQQB-UHFFFAOYSA-N 0 0 305.746 4.047 50 5 DIBARN CC(C)Cc1cc2c(c(N)n1)c(=O)oc1ccc3ccccc3c12 ZINC000019812438 182152789 /nfs/dbraw/zinc/15/27/89/182152789.db2.gz SRXRMNFYJKBXRM-UHFFFAOYSA-N 0 0 318.376 4.275 50 5 DIBARN Cc1ccc2c(c1)occ(/C=C/c1ccc([N+](=O)[O-])cc1)c2=O ZINC000019923618 182165040 /nfs/dbraw/zinc/16/50/40/182165040.db2.gz WYVBZQYWEMPBNN-ZZXKWVIFSA-N 0 0 307.305 4.180 50 5 DIBARN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000022420138 182321227 /nfs/dbraw/zinc/32/12/27/182321227.db2.gz GWINTPXPBSONOV-HNNXBMFYSA-N 0 0 305.765 4.452 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)c3cccnc23)c1 ZINC000024570076 182383665 /nfs/dbraw/zinc/38/36/65/182383665.db2.gz GCEMTLOEPZYSDW-UHFFFAOYSA-N 0 0 312.300 4.170 50 5 DIBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)c[nH]c2=S)cc1 ZINC000026423067 182440731 /nfs/dbraw/zinc/44/07/31/182440731.db2.gz TZQJHHAERQJUDV-UHFFFAOYSA-N 0 0 311.366 4.419 50 5 DIBARN O=[N+]([O-])c1ccc(/C=C/c2ccnc3ccccc23)c([N+](=O)[O-])c1 ZINC000036381132 182820934 /nfs/dbraw/zinc/82/09/34/182820934.db2.gz PXRRIZCQVLZEQM-AATRIKPKSA-N 0 0 321.292 4.222 50 5 DIBARN Cc1cc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000036395973 182824924 /nfs/dbraw/zinc/82/49/24/182824924.db2.gz HNWHLDYZBGAXMO-JTQLQIEISA-N 0 0 319.386 4.156 50 5 DIBARN O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCCCC2)cc1 ZINC000058407127 184114447 /nfs/dbraw/zinc/11/44/47/184114447.db2.gz VCILGVLHXGGYAL-UHFFFAOYSA-N 0 0 312.373 4.114 50 5 DIBARN Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000225491772 257274585 /nfs/dbraw/zinc/27/45/85/257274585.db2.gz YUDMRELUDZBMPA-UHFFFAOYSA-N 0 0 313.360 4.344 50 5 DIBARN O=[N+]([O-])c1cc(Cl)c(N2CCCCC2)cc1N1CCCCC1 ZINC000004299870 134459879 /nfs/dbraw/zinc/45/98/79/134459879.db2.gz BVXHAICPRNKVTL-UHFFFAOYSA-N 0 0 323.824 4.229 50 5 DIBARN Cc1ccc(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000617305 331463915 /nfs/dbraw/zinc/46/39/15/331463915.db2.gz KJKZHOUZVDMPKA-UHFFFAOYSA-N 0 0 316.382 4.024 50 5 DIBARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])c1 ZINC000000103569 563217647 /nfs/dbraw/zinc/21/76/47/563217647.db2.gz TYHVKSXMTXARPU-INIZCTEOSA-N 0 0 317.728 4.100 50 5 DIBARN O=[N+]([O-])c1ccccc1CSc1ccc(C(F)(F)F)cn1 ZINC000032628374 563373142 /nfs/dbraw/zinc/37/31/42/563373142.db2.gz NSXOGDSLFIUHKQ-UHFFFAOYSA-N 0 0 314.288 4.301 50 5 DIBARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000032754281 563390950 /nfs/dbraw/zinc/39/09/50/563390950.db2.gz RAEXYHFASRKOKP-GFCCVEGCSA-N 0 0 324.336 4.174 50 5 DIBARN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000033259 563505506 /nfs/dbraw/zinc/50/55/06/563505506.db2.gz JFXPLNBSDOSNIB-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN Cc1c2cc(Cl)ccc2oc(=O)c1-c1ccc([N+](=O)[O-])cc1 ZINC000000058077 563513290 /nfs/dbraw/zinc/51/32/90/563513290.db2.gz DPTNXDYEYWQCBV-UHFFFAOYSA-N 0 0 315.712 4.330 50 5 DIBARN O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000000086558 563526298 /nfs/dbraw/zinc/52/62/98/563526298.db2.gz GFWXECQNAYAQRZ-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103110 563543439 /nfs/dbraw/zinc/54/34/39/563543439.db2.gz XCCYXTJOTZLKCM-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1ccc2c(c1)Oc1ccc(Br)cc1O2 ZINC000085221315 563568324 /nfs/dbraw/zinc/56/83/24/563568324.db2.gz NEAQKVYUPNBTNP-UHFFFAOYSA-N 0 0 308.087 4.255 50 5 DIBARN O=C(Oc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000123930 563571696 /nfs/dbraw/zinc/57/16/96/563571696.db2.gz LXEDUJYAENAZGC-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000000153632 563573278 /nfs/dbraw/zinc/57/32/78/563573278.db2.gz XKPAMQPTGFMKOV-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN CC[C@](C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000173428 563574590 /nfs/dbraw/zinc/57/45/90/563574590.db2.gz PQEVXEBJFVGYKU-INIZCTEOSA-N 0 0 300.745 4.468 50 5 DIBARN C[C@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000231974 563579673 /nfs/dbraw/zinc/57/96/73/563579673.db2.gz WEAVKHATGKOQBH-CYBMUJFWSA-N 0 0 310.353 4.040 50 5 DIBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000000243273 563580935 /nfs/dbraw/zinc/58/09/35/563580935.db2.gz ZGIWSVLMUXDXNN-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000000258818 563583061 /nfs/dbraw/zinc/58/30/61/563583061.db2.gz HWMVJXGGXAAPLA-VAWYXSNFSA-N 0 0 318.332 4.400 50 5 DIBARN Cc1nn(-c2ccc(C)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 ZINC000000278945 563584057 /nfs/dbraw/zinc/58/40/57/563584057.db2.gz GGQXRKGFDGPAQY-UHFFFAOYSA-N 0 0 307.353 4.373 50 5 DIBARN Cc1ccc(-c2csc3nc4cc([N+](=O)[O-])ccc4n23)cc1 ZINC000023907858 563586728 /nfs/dbraw/zinc/58/67/28/563586728.db2.gz DTDTTZRAVCTKOI-UHFFFAOYSA-N 0 0 309.350 4.433 50 5 DIBARN C[C@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000303142 563586736 /nfs/dbraw/zinc/58/67/36/563586736.db2.gz MJWFBVJELFJTHE-LLVKDONJSA-N 0 0 318.760 4.381 50 5 DIBARN O=C(/C=C/c1cccc2ccccc12)Oc1cccc([N+](=O)[O-])c1 ZINC000000305311 563586981 /nfs/dbraw/zinc/58/69/81/563586981.db2.gz AYWAWSOTWUBMBV-VAWYXSNFSA-N 0 0 319.316 4.367 50 5 DIBARN O=[N+]([O-])c1ccc(CSc2cc(-c3ccccc3)ncn2)cc1 ZINC000011903038 563601410 /nfs/dbraw/zinc/60/14/10/563601410.db2.gz RCYZGTZJEHVYMQ-UHFFFAOYSA-N 0 0 323.377 4.344 50 5 DIBARN CC[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000000442353 563615175 /nfs/dbraw/zinc/61/51/75/563615175.db2.gz GDKNBFKENWRYLL-ZDUSSCGKSA-N 0 0 318.760 4.381 50 5 DIBARN O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000453672 563615636 /nfs/dbraw/zinc/61/56/36/563615636.db2.gz KXVQJYRIEXKXDE-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN Cc1cc(Cl)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000452339 563615733 /nfs/dbraw/zinc/61/57/33/563615733.db2.gz JEGMYMIPOHFJDI-VMPITWQZSA-N 0 0 316.744 4.209 50 5 DIBARN CSc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000473138 563624143 /nfs/dbraw/zinc/62/41/43/563624143.db2.gz GKWKJJHZSLDTBT-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN O=[N+]([O-])c1ccc(COc2ccc(Cl)c3cccnc23)cc1 ZINC000000472019 563625045 /nfs/dbraw/zinc/62/50/45/563625045.db2.gz DHPUNLAHPIKGIV-UHFFFAOYSA-N 0 0 314.728 4.375 50 5 DIBARN CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(F)cc1 ZINC000000480488 563636908 /nfs/dbraw/zinc/63/69/08/563636908.db2.gz MHRPGMRZCPKRHE-UHFFFAOYSA-N 0 0 309.366 4.054 50 5 DIBARN O=c1oc2ccc3ccccc3c2cc1-c1cc2ccccn2n1 ZINC000000500600 563653409 /nfs/dbraw/zinc/65/34/09/563653409.db2.gz CRIUSQRHEPAXDK-UHFFFAOYSA-N 0 0 312.328 4.261 50 5 DIBARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000555062 563669354 /nfs/dbraw/zinc/66/93/54/563669354.db2.gz VQNVNYJCFFQIHL-GFCCVEGCSA-N 0 0 316.382 4.023 50 5 DIBARN Cc1cc(C(=O)Nc2cccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000000859084 563772331 /nfs/dbraw/zinc/77/23/31/563772331.db2.gz VGXDOWOOZZDNFT-UHFFFAOYSA-N 0 0 310.353 4.034 50 5 DIBARN Cc1cc(C)c(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 ZINC000001060138 563788088 /nfs/dbraw/zinc/78/80/88/563788088.db2.gz JYDNZIKPNQPVLU-UHFFFAOYSA-N 0 0 321.380 4.432 50 5 DIBARN Cc1cc2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2[nH]1 ZINC000031653527 563796015 /nfs/dbraw/zinc/79/60/15/563796015.db2.gz JCDOIJXVONFGOT-UHFFFAOYSA-N 0 0 312.285 4.036 50 5 DIBARN Cc1ccccc1[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000012537504 563798866 /nfs/dbraw/zinc/79/88/66/563798866.db2.gz ZHYXJYXGPWTZDQ-GOSISDBHSA-N 0 0 320.348 4.467 50 5 DIBARN O=[N+]([O-])c1cccc(Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000001384052 563813705 /nfs/dbraw/zinc/81/37/05/563813705.db2.gz TWZUXIMCFHNGAT-UHFFFAOYSA-N 0 0 321.258 4.012 50 5 DIBARN O=[N+]([O-])c1ccc(NCCC23CC4CC(CC(C4)C2)C3)nc1 ZINC000012862131 563845526 /nfs/dbraw/zinc/84/55/26/563845526.db2.gz WVBLSSRKKLHHJA-UHFFFAOYSA-N 0 0 301.390 4.008 50 5 DIBARN O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2Cc2ccccc2)c1 ZINC000026423074 563864214 /nfs/dbraw/zinc/86/42/14/563864214.db2.gz HKCOHNLIPUUJTE-UHFFFAOYSA-N 0 0 311.366 4.169 50 5 DIBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)c[nH]c1=S ZINC000026423060 563864216 /nfs/dbraw/zinc/86/42/16/563864216.db2.gz RTNJRWGIPZJJTA-UHFFFAOYSA-N 0 0 311.366 4.419 50 5 DIBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000026774934 563882113 /nfs/dbraw/zinc/88/21/13/563882113.db2.gz AIUUNDCHFCMCIF-SECBINFHSA-N 0 0 311.263 4.182 50 5 DIBARN O=[N+]([O-])c1ccccc1-c1cc(-c2cc(Cl)ccc2O)n[nH]1 ZINC000013126650 563929256 /nfs/dbraw/zinc/92/92/56/563929256.db2.gz YBUYLNJZNUDBCW-UHFFFAOYSA-N 0 0 315.716 4.011 50 5 DIBARN C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000003122020 563942285 /nfs/dbraw/zinc/94/22/85/563942285.db2.gz GLPAHEFEBDSJFR-TXEJJXNPSA-N 0 0 300.314 4.410 50 5 DIBARN Cc1cc([C@@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000031662788 563944642 /nfs/dbraw/zinc/94/46/42/563944642.db2.gz LXYVAEUGEHFBBF-SNVBAGLBSA-N 0 0 319.386 4.156 50 5 DIBARN Cc1nn(Cc2ccc(-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000008328201 563947993 /nfs/dbraw/zinc/94/79/93/563947993.db2.gz HBJGHQHDWTYVCV-UHFFFAOYSA-N 0 0 307.353 4.123 50 5 DIBARN O=c1oc2ccccc2c(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000009070039 563952192 /nfs/dbraw/zinc/95/21/92/563952192.db2.gz KMIQBKKTABAEFN-UHFFFAOYSA-N 0 0 316.700 4.098 50 5 DIBARN Cc1c2c(cc([N+](=O)[O-])c1OC(=O)c1ccccc1)CCCC2 ZINC000000529279 1041506383 /nfs/dbraw/zinc/50/63/83/1041506383.db2.gz IIMZCWMVOYEZGL-UHFFFAOYSA-N 0 0 311.337 4.001 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000004957473 1042118487 /nfs/dbraw/zinc/11/84/87/1042118487.db2.gz HLLXEIUTPLQBQT-UHFFFAOYSA-N 0 0 304.174 4.034 50 5 DIBARN COc1ccc(/C=C\c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000035167460 1043802883 /nfs/dbraw/zinc/80/28/83/1043802883.db2.gz TYTHACAHVHXRPX-WTKPLQERSA-N 0 0 312.350 4.384 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cccs3)nc2c1 ZINC000007132963 1044645179 /nfs/dbraw/zinc/64/51/79/1044645179.db2.gz NKCGWTUQOXUDBF-YFHOEESVSA-N 0 0 305.746 4.270 50 5 DIBARN O=C(/C=C/c1ccccc1Cl)OCc1ccc([N+](=O)[O-])cc1 ZINC000003246278 1044649222 /nfs/dbraw/zinc/64/92/22/1044649222.db2.gz BOJAQMUOHBPDDJ-JXMROGBWSA-N 0 0 317.728 4.005 50 5 DIBARN CC(C)c1nnc(S/C=C/c2ccc([N+](=O)[O-])o2)n1C1CC1 ZINC000075476995 1045336006 /nfs/dbraw/zinc/33/60/06/1045336006.db2.gz IALGOOVIICGALX-BQYQJAHWSA-N 0 0 320.374 4.001 50 5 DIBARN CCC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000079101693 185158249 /nfs/dbraw/zinc/15/82/49/185158249.db2.gz JFFVXKYVCFFKGQ-CYBMUJFWSA-N 0 0 307.300 4.221 50 5 DIBARN Cc1ccc(NC(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000005013902 190620160 /nfs/dbraw/zinc/62/01/60/190620160.db2.gz FHDGAUHFCJGWST-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000000102079 180693442 /nfs/dbraw/zinc/69/34/42/180693442.db2.gz ZIMRYTSHKDYHEH-UHFFFAOYSA-N 0 0 310.781 4.043 50 5 DIBARN COc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000166724 180712670 /nfs/dbraw/zinc/71/26/70/180712670.db2.gz KRUYIEMNEKVRAT-UHFFFAOYSA-N 0 0 313.231 4.415 50 5 DIBARN O=[N+]([O-])c1ccccc1COc1ccc(Cl)c2cccnc12 ZINC000000204205 180724558 /nfs/dbraw/zinc/72/45/58/180724558.db2.gz NDLIZHPRVJHAJV-UHFFFAOYSA-N 0 0 314.728 4.375 50 5 DIBARN O=C(Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000280702 180746975 /nfs/dbraw/zinc/74/69/75/180746975.db2.gz CQIFYMJAZZTNQB-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CC[C@@H](C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000319251 180758771 /nfs/dbraw/zinc/75/87/71/180758771.db2.gz YKVXNCRHNXTUKB-CYBMUJFWSA-N 0 0 312.369 4.290 50 5 DIBARN CCOC(=O)c1cc(OC(C)=O)c2c3ccccc3ccc2c1C ZINC000000393199 180775480 /nfs/dbraw/zinc/77/54/80/180775480.db2.gz OTZVTYNRBNFQKX-UHFFFAOYSA-N 0 0 322.360 4.403 50 5 DIBARN Cc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000462504 180798286 /nfs/dbraw/zinc/79/82/86/180798286.db2.gz OWAKORUFMJDHFD-UHFFFAOYSA-N 0 0 318.760 4.242 50 5 DIBARN Cc1c2ccccc2oc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000002631155 180941591 /nfs/dbraw/zinc/94/15/91/180941591.db2.gz KLEYDFYZOONBKW-UHFFFAOYSA-N 0 0 311.293 4.006 50 5 DIBARN O=c1cc(CSc2ncccn2)c2c(ccc3ccccc32)o1 ZINC000003511746 181028789 /nfs/dbraw/zinc/02/87/89/181028789.db2.gz SHDZHSRBYSMLCI-UHFFFAOYSA-N 0 0 320.373 4.029 50 5 DIBARN Cc1cccc(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000003617041 181041394 /nfs/dbraw/zinc/04/13/94/181041394.db2.gz WTWKEQGWRCYOOG-UHFFFAOYSA-N 0 0 304.327 4.271 50 5 DIBARN CCCCN(CCCC)c1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003900619 181055014 /nfs/dbraw/zinc/05/50/14/181055014.db2.gz GOKWVXKBJOGEIH-UHFFFAOYSA-N 0 0 318.373 4.108 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000004050215 181066954 /nfs/dbraw/zinc/06/69/54/181066954.db2.gz ZESIIBDCXDWWFV-UHFFFAOYSA-N 0 0 312.094 4.289 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2ccccc2)nc1Nc1ccccc1 ZINC000003921341 181057977 /nfs/dbraw/zinc/05/79/77/181057977.db2.gz ZTWGSWOQHQHKQJ-UHFFFAOYSA-N 0 0 306.325 4.477 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003959367 181059419 /nfs/dbraw/zinc/05/94/19/181059419.db2.gz AUGMKWOPSOYNOH-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl ZINC000004173481 181081765 /nfs/dbraw/zinc/08/17/65/181081765.db2.gz QGPMMQGJELYWGU-UHFFFAOYSA-N 0 0 317.153 4.215 50 5 DIBARN Cc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC000004420145 181109282 /nfs/dbraw/zinc/10/92/82/181109282.db2.gz RJLXMDDYIUAAFD-UHFFFAOYSA-N 0 0 324.296 4.103 50 5 DIBARN O=C(NC1CCCCC1)c1cc2c(ccc3ccccc32)oc1=O ZINC000004502394 181116645 /nfs/dbraw/zinc/11/66/45/181116645.db2.gz ZGIFJFOWLMETRJ-UHFFFAOYSA-N 0 0 321.376 4.009 50 5 DIBARN Cc1c(Cl)cccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004577915 181126760 /nfs/dbraw/zinc/12/67/60/181126760.db2.gz DGNYJSLOVPFVHT-UHFFFAOYSA-N 0 0 307.693 4.208 50 5 DIBARN COc1ccc(NC(=O)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000004696403 181138347 /nfs/dbraw/zinc/13/83/47/181138347.db2.gz SSSFWOHXBPOBDF-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)c1 ZINC000004701077 181139329 /nfs/dbraw/zinc/13/93/29/181139329.db2.gz NODOBFPWJIEVAU-UHFFFAOYSA-N 0 0 324.380 4.043 50 5 DIBARN CCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004749532 181147573 /nfs/dbraw/zinc/14/75/73/181147573.db2.gz XMMCQJGIKLTCNY-UHFFFAOYSA-N 0 0 319.386 4.237 50 5 DIBARN CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000004776694 181151451 /nfs/dbraw/zinc/15/14/51/181151451.db2.gz YWRJAVLKOLLNJM-UHFFFAOYSA-N 0 0 305.378 4.170 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Sc1ccc(O)cc1 ZINC000004794283 181152747 /nfs/dbraw/zinc/15/27/47/181152747.db2.gz TXYVNYQCMIBTTJ-UHFFFAOYSA-N 0 0 324.745 4.278 50 5 DIBARN Cc1ccc(NC(=O)Oc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000004799747 181153339 /nfs/dbraw/zinc/15/33/39/181153339.db2.gz AQOBOXGYRYIBJK-UHFFFAOYSA-N 0 0 300.314 4.131 50 5 DIBARN CCCCN(CCCC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004839448 181160539 /nfs/dbraw/zinc/16/05/39/181160539.db2.gz DXKKSMGVIJRTPN-UHFFFAOYSA-N 0 0 312.797 4.291 50 5 DIBARN Cc1c(NC(=O)NC(C)(C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000075109159 191420078 /nfs/dbraw/zinc/42/00/78/191420078.db2.gz RDLMGEXPLLRCTK-UHFFFAOYSA-N 0 0 307.394 4.240 50 5 DIBARN O=C(CCCc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005003621 181189043 /nfs/dbraw/zinc/18/90/43/181189043.db2.gz FYZJKTDQALRMKP-UHFFFAOYSA-N 0 0 318.760 4.210 50 5 DIBARN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000005041403 181195480 /nfs/dbraw/zinc/19/54/80/181195480.db2.gz CHZHUIVHNDZOPO-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000005059049 181198705 /nfs/dbraw/zinc/19/87/05/181198705.db2.gz RXSRTQHDEVILRE-SNVBAGLBSA-N 0 0 305.717 4.166 50 5 DIBARN Cc1ccc(C)c(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000005118547 181204904 /nfs/dbraw/zinc/20/49/04/181204904.db2.gz XQHPKLGWHZGVEG-UHFFFAOYSA-N 0 0 319.744 4.127 50 5 DIBARN Cc1c([N+](=O)[O-])cc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005212130 181217434 /nfs/dbraw/zinc/21/74/34/181217434.db2.gz CDUWNPCKXAKVDB-UHFFFAOYSA-N 0 0 316.357 4.279 50 5 DIBARN O=c1oc(=O)c2ccc3c4ccccc4sc4ccc1c2c43 ZINC000005379649 181236251 /nfs/dbraw/zinc/23/62/51/181236251.db2.gz YCJAUMBAFBAMFV-UHFFFAOYSA-N 0 0 304.326 4.112 50 5 DIBARN CCOC(=O)c1[nH]c2ccc3c4ccccc4oc3c2c1[N+](=O)[O-] ZINC000005473844 181247494 /nfs/dbraw/zinc/24/74/94/181247494.db2.gz YFPWXKPCIRLUNP-UHFFFAOYSA-N 0 0 324.292 4.152 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000005584106 181260452 /nfs/dbraw/zinc/26/04/52/181260452.db2.gz RDPLFFOFALLRSD-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000005626532 181265569 /nfs/dbraw/zinc/26/55/69/181265569.db2.gz YLRQIDWPACXGBN-UHFFFAOYSA-N 0 0 323.304 4.212 50 5 DIBARN N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000005648603 181267875 /nfs/dbraw/zinc/26/78/75/181267875.db2.gz IAKPCQNRUXXAOE-YBEGLDIGSA-N 0 0 304.374 4.132 50 5 DIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000005967032 181301895 /nfs/dbraw/zinc/30/18/95/181301895.db2.gz WITRDGZMLNTVMD-SNVBAGLBSA-N 0 0 305.717 4.166 50 5 DIBARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006053883 181308539 /nfs/dbraw/zinc/30/85/39/181308539.db2.gz SYLCMCVDMGPXIY-CYBMUJFWSA-N 0 0 312.369 4.209 50 5 DIBARN O=[N+]([O-])c1ncccc1OCc1ccc(-c2ccccc2)cc1 ZINC000007045111 181433611 /nfs/dbraw/zinc/43/36/11/181433611.db2.gz YUKYMIJJJNSXCI-UHFFFAOYSA-N 0 0 306.321 4.236 50 5 DIBARN CCCc1cc(=O)[nH]c(C(=Cc2csc([N+](=O)[O-])c2)CC)n1 ZINC000253536342 202897046 /nfs/dbraw/zinc/89/70/46/202897046.db2.gz UDVVYPCMIDXMNV-WDZFZDKYSA-N 0 0 319.386 4.055 50 5 DIBARN O=[N+]([O-])c1cc(OCc2ccccc2)cc(C(F)(F)F)c1F ZINC000261493572 203073143 /nfs/dbraw/zinc/07/31/43/203073143.db2.gz DWIWBKZUWLEUTQ-UHFFFAOYSA-N 0 0 315.222 4.332 50 5 DIBARN O=[N+]([O-])c1cc(OCc2ccccc2)cc(OC(F)(F)F)c1 ZINC000261493794 203074086 /nfs/dbraw/zinc/07/40/86/203074086.db2.gz JJISVJQRBLDMBA-UHFFFAOYSA-N 0 0 313.231 4.072 50 5 DIBARN COc1ccc(C)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000009908427 181645699 /nfs/dbraw/zinc/64/56/99/181645699.db2.gz AGNGZSSKNCXUAM-UHFFFAOYSA-N 0 0 307.733 4.144 50 5 DIBARN CSc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000012688501 181788352 /nfs/dbraw/zinc/78/83/52/181788352.db2.gz UWFMSSQYTSSMMY-ZETCQYMHSA-N 0 0 313.429 4.022 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@H](c2cccs2)c2ccccc2)nc1 ZINC000013016007 181824122 /nfs/dbraw/zinc/82/41/22/181824122.db2.gz ZFNNMGJQUWGIDG-INIZCTEOSA-N 0 0 311.366 4.253 50 5 DIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000016468247 182045752 /nfs/dbraw/zinc/04/57/52/182045752.db2.gz AZIJONYTIQSIHW-JTQLQIEISA-N 0 0 305.717 4.166 50 5 DIBARN N=c1oc2ccc3ccccc3c2cc1C(=O)NC1CCCCC1 ZINC000017055328 182072540 /nfs/dbraw/zinc/07/25/40/182072540.db2.gz NZKIQQHCSOPJRT-UHFFFAOYSA-N 0 0 320.392 4.128 50 5 DIBARN Cc1ccc2occ(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 ZINC000019923620 182164999 /nfs/dbraw/zinc/16/49/99/182164999.db2.gz HDVLXEZMZMXSFI-ZZXKWVIFSA-N 0 0 307.305 4.180 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000020474712 182221430 /nfs/dbraw/zinc/22/14/30/182221430.db2.gz RSDCKRHQJJDMOB-UHFFFAOYSA-N 0 0 312.094 4.289 50 5 DIBARN CCC(CC)(CC)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000020573357 182233984 /nfs/dbraw/zinc/23/39/84/182233984.db2.gz XRSNETSYDNTMFP-UHFFFAOYSA-N 0 0 310.419 4.015 50 5 DIBARN CCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] ZINC000020897674 182252326 /nfs/dbraw/zinc/25/23/26/182252326.db2.gz YXEAGJVYEBRHSF-UHFFFAOYSA-N 0 0 324.340 4.052 50 5 DIBARN Cc1ccc(-c2nc(COc3cc(C)ccc3[N+](=O)[O-])co2)cc1 ZINC000022974238 182344004 /nfs/dbraw/zinc/34/40/04/182344004.db2.gz KKGSRWRRVXIPQJ-UHFFFAOYSA-N 0 0 324.336 4.446 50 5 DIBARN O=[N+]([O-])c1ncccc1OCc1sc2ccccc2c1Cl ZINC000024975550 182396898 /nfs/dbraw/zinc/39/68/98/182396898.db2.gz HRBHPTSXSDDHOW-UHFFFAOYSA-N 0 0 320.757 4.437 50 5 DIBARN Cc1ccc(C)c(O[C@@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000041146142 183176281 /nfs/dbraw/zinc/17/62/81/183176281.db2.gz SJZONIUZJIVMEI-LBPRGKRZSA-N 0 0 311.341 4.228 50 5 DIBARN Cc1c(NC(=O)N(C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043346783 183356403 /nfs/dbraw/zinc/35/64/03/183356403.db2.gz HIVFYENQYGRACI-CYBMUJFWSA-N 0 0 313.357 4.128 50 5 DIBARN O=[N+]([O-])c1ccc(/C(=C\c2cncs2)c2ccncc2)cc1 ZINC000532009358 334370368 /nfs/dbraw/zinc/37/03/68/334370368.db2.gz AHFLGVGURVKDNQ-CXUHLZMHSA-N 0 0 309.350 4.035 50 5 DIBARN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000102871 563543387 /nfs/dbraw/zinc/54/33/87/563543387.db2.gz VABALCQQLQSIOO-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1cc(CO)ccc1Oc1cc(Cl)cc(Cl)c1 ZINC000000120614 563571457 /nfs/dbraw/zinc/57/14/57/563571457.db2.gz WLDSHSCHIJOLIH-UHFFFAOYSA-N 0 0 314.124 4.186 50 5 DIBARN O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000499117 563652396 /nfs/dbraw/zinc/65/23/96/563652396.db2.gz MLRKTPSVKPPKJD-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cccs1 ZINC000000063674 563212497 /nfs/dbraw/zinc/21/24/97/563212497.db2.gz FKYNAIGQKABWIJ-UHFFFAOYSA-N 0 0 322.341 4.227 50 5 DIBARN O=[N+]([O-])c1ccsc1[C@H]1CC[C@@H]1c1sccc1[N+](=O)[O-] ZINC000004419560 563380005 /nfs/dbraw/zinc/38/00/05/563380005.db2.gz LLVCNIADXAQLEU-YUMQZZPRSA-N 0 0 310.356 4.287 50 5 DIBARN Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 ZINC000011234075 563504462 /nfs/dbraw/zinc/50/44/62/563504462.db2.gz NIVIJRIIUYMXGO-SFHVURJKSA-N 0 0 324.380 4.093 50 5 DIBARN Cc1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000000087950 563524211 /nfs/dbraw/zinc/52/42/11/563524211.db2.gz VXURIYRSUMWHDU-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN Cc1cc(C)c(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000000082455 563524975 /nfs/dbraw/zinc/52/49/75/563524975.db2.gz CQMOHHJTOKGELH-UHFFFAOYSA-N 0 0 309.325 4.237 50 5 DIBARN Cc1cc(Cl)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000122526 563571405 /nfs/dbraw/zinc/57/14/05/563571405.db2.gz KVYUILNURAAKFJ-VMPITWQZSA-N 0 0 317.728 4.175 50 5 DIBARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c2N1 ZINC000000124092 563571582 /nfs/dbraw/zinc/57/15/82/563571582.db2.gz OIPKUFBEQLIYMY-QGZVFWFLSA-N 0 0 318.332 4.222 50 5 DIBARN Cc1ccc(C(=O)Oc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000000149018 563572650 /nfs/dbraw/zinc/57/26/50/563572650.db2.gz DZLVFIOYIQCWPN-UHFFFAOYSA-N 0 0 313.353 4.420 50 5 DIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000000168754 563574116 /nfs/dbraw/zinc/57/41/16/563574116.db2.gz NBTCNNLNEVSDGH-UHFFFAOYSA-N 0 0 310.284 4.139 50 5 DIBARN Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000000208670 563577524 /nfs/dbraw/zinc/57/75/24/563577524.db2.gz CACQRKLFZOCULX-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN CC(C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000237721 563579625 /nfs/dbraw/zinc/57/96/25/563579625.db2.gz KNTKFCDMSYXTNC-IZZDOVSWSA-N 0 0 310.353 4.370 50 5 DIBARN CC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000000242337 563581097 /nfs/dbraw/zinc/58/10/97/563581097.db2.gz OZIPPSXNVGKKDG-UHFFFAOYSA-N 0 0 306.321 4.321 50 5 DIBARN COc1cc2ccccc2cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000247791 563581526 /nfs/dbraw/zinc/58/15/26/563581526.db2.gz BLUCXGTVTGUHNP-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000272866 563584052 /nfs/dbraw/zinc/58/40/52/563584052.db2.gz BUQMNULICPSQNN-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C1CCCC[C@H]1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000339734 563588597 /nfs/dbraw/zinc/58/85/97/563588597.db2.gz WRXAQOILZIHGFF-GFCCVEGCSA-N 0 0 319.304 4.217 50 5 DIBARN Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000000375402 563591179 /nfs/dbraw/zinc/59/11/79/563591179.db2.gz LQZLYIKLEIZXLA-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2c(ccc3ccccc32)N1 ZINC000000427715 563611550 /nfs/dbraw/zinc/61/15/50/563611550.db2.gz RORWKCQVUIVESP-OAHLLOKOSA-N 0 0 318.332 4.222 50 5 DIBARN O=[N+]([O-])c1cccc(-c2csc(Nc3cccc(O)c3)n2)c1 ZINC000000440777 563614922 /nfs/dbraw/zinc/61/49/22/563614922.db2.gz NAHRCRNXKAVLCT-UHFFFAOYSA-N 0 0 313.338 4.168 50 5 DIBARN Cc1ccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000471399 563624748 /nfs/dbraw/zinc/62/47/48/563624748.db2.gz MZTXZVSJMDUAHR-LBPRGKRZSA-N 0 0 309.325 4.105 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 ZINC000000610377 563698752 /nfs/dbraw/zinc/69/87/52/563698752.db2.gz CJWXFWGKZKUHHQ-UHFFFAOYSA-N 0 0 307.309 4.392 50 5 DIBARN CC(=O)Nc1cc(Cl)c(-c2ccc([N+](=O)[O-])o2)c(Cl)c1 ZINC000000977958 563785687 /nfs/dbraw/zinc/78/56/87/563785687.db2.gz KZRYTPFKEUCFEH-UHFFFAOYSA-N 0 0 315.112 4.120 50 5 DIBARN Cc1ccc(-c2csc(-c3ccccc3O)n2)cc1[N+](=O)[O-] ZINC000084190232 563825088 /nfs/dbraw/zinc/82/50/88/563825088.db2.gz QXONACARGBXJDW-UHFFFAOYSA-N 0 0 312.350 4.399 50 5 DIBARN CC(C)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012821779 563840510 /nfs/dbraw/zinc/84/05/10/563840510.db2.gz JKMPXXUSUWRYGQ-INIZCTEOSA-N 0 0 312.369 4.112 50 5 DIBARN O=[N+]([O-])c1cccn2cc(-c3ccc(Cl)cc3Cl)nc12 ZINC000036108823 563894381 /nfs/dbraw/zinc/89/43/81/563894381.db2.gz QJDPOEVUUZWWHY-UHFFFAOYSA-N 0 0 308.124 4.216 50 5 DIBARN O=[N+]([O-])c1ccccc1N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000089874886 563911948 /nfs/dbraw/zinc/91/19/48/563911948.db2.gz SXEYBOOVARTJQO-INIZCTEOSA-N 0 0 323.352 4.468 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ncnc3sccc32)c(Cl)c1 ZINC000007780251 563919121 /nfs/dbraw/zinc/91/91/21/563919121.db2.gz YWJUUWIBVQXPBM-UHFFFAOYSA-N 0 0 307.718 4.045 50 5 DIBARN O=[N+]([O-])c1c(NCc2csc3ccccc23)nc2ccccn21 ZINC000095356647 563931075 /nfs/dbraw/zinc/93/10/75/563931075.db2.gz KYISBYBSMOHVBW-UHFFFAOYSA-N 0 0 324.365 4.069 50 5 DIBARN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000225602971 563938218 /nfs/dbraw/zinc/93/82/18/563938218.db2.gz FDKMFTZBVRJJPU-OAHLLOKOSA-N 0 0 317.776 4.375 50 5 DIBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3s2)c1 ZINC000002841880 563940836 /nfs/dbraw/zinc/94/08/36/563940836.db2.gz RUKMOTVBCYHOCZ-UHFFFAOYSA-N 0 0 302.380 4.497 50 5 DIBARN Cc1cccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2=S)c1 ZINC000008682930 563949717 /nfs/dbraw/zinc/94/97/17/563949717.db2.gz HPWLNTYCZYPGFK-UHFFFAOYSA-N 0 0 311.366 4.419 50 5 aggregator DIBARN CC(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000008750071 563950671 /nfs/dbraw/zinc/95/06/71/563950671.db2.gz LXRPTWNYSLZIPE-INIZCTEOSA-N 0 0 313.357 4.114 50 5 DIBARN Cc1c(O[C@H]2CCCCC2=O)ccc2c3ccccc3c(=O)oc12 ZINC000000407885 568413764 /nfs/dbraw/zinc/41/37/64/568413764.db2.gz JNWBZAIRJFMZGW-SFHVURJKSA-N 0 0 322.360 4.145 50 5 DIBARN Cc1ccc(NC(=O)N(C(C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000002172219 568420961 /nfs/dbraw/zinc/42/09/61/568420961.db2.gz ZBJCAOLRWQMYDM-UHFFFAOYSA-N 0 0 319.405 4.478 50 5 DIBARN Cc1cccc(C(=O)Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000000464877 1040112955 /nfs/dbraw/zinc/11/29/55/1040112955.db2.gz YBFQTVCHAFAURT-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN COc1ccc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)cc1O ZINC000035684827 1043949744 /nfs/dbraw/zinc/94/97/44/1043949744.db2.gz SDXHQEKGSLYWDP-ALCCZGGFSA-N 0 0 322.320 4.028 50 5 DIBARN CCc1cccc(CC)c1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033289528 1052721259 /nfs/dbraw/zinc/72/12/59/1052721259.db2.gz MJNVIVKNJZBXLW-QXMHVHEDSA-N 0 0 324.380 4.372 50 5 DIBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1 ZINC000033314889 1052724862 /nfs/dbraw/zinc/72/48/62/1052724862.db2.gz WSFHWDIAZVWAPB-DAXSKMNVSA-N 0 0 320.707 4.039 50 5 DIBARN O=C1CCCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c21 ZINC000007848110 1053032275 /nfs/dbraw/zinc/03/22/75/1053032275.db2.gz WEHIWKCBERPICV-UHFFFAOYSA-N 0 0 318.332 4.329 50 5 DIBARN COc1cc(N[C@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1F ZINC000079099357 185158367 /nfs/dbraw/zinc/15/83/67/185158367.db2.gz IWICGMBATBXEFT-SECBINFHSA-N 0 0 308.309 4.125 50 5 DIBARN Cc1cccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000000467151 190614288 /nfs/dbraw/zinc/61/42/88/190614288.db2.gz UDQNRNORWMFBSW-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN CC(C)C(=O)n1c2ccc(F)cc2c2nc3ccccc3nc21 ZINC000000084066 180687940 /nfs/dbraw/zinc/68/79/40/180687940.db2.gz VXANEKKEMLZCCV-UHFFFAOYSA-N 0 0 307.328 4.173 50 5 DIBARN Nc1ccc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000000103674 180693973 /nfs/dbraw/zinc/69/39/73/180693973.db2.gz XZAZAEUKZVAXCB-AWEZNQCLSA-N 0 0 308.790 4.032 50 5 DIBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103124 180694082 /nfs/dbraw/zinc/69/40/82/180694082.db2.gz YLRYDYDEPZYJCA-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Oc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000123928 180700798 /nfs/dbraw/zinc/70/07/98/180700798.db2.gz KBJZDEITSFDUML-UHFFFAOYSA-N 0 0 312.108 4.121 50 5 DIBARN Nc1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000164835 180712745 /nfs/dbraw/zinc/71/27/45/180712745.db2.gz RWSBANZPGBSQRS-UHFFFAOYSA-N 0 0 314.288 4.347 50 5 DIBARN O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccc(Cl)cc12 ZINC000000265041 180742399 /nfs/dbraw/zinc/74/23/99/180742399.db2.gz UKYBBWSOMPJNGF-UHFFFAOYSA-N 0 0 301.685 4.022 50 5 DIBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000000288220 180748778 /nfs/dbraw/zinc/74/87/78/180748778.db2.gz IBTXBFFCDFDHSA-UHFFFAOYSA-N 0 0 319.316 4.481 50 5 DIBARN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000000271618 180744497 /nfs/dbraw/zinc/74/44/97/180744497.db2.gz CVUPZYURSOANAZ-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1cccc(-c2noc(CCC3CCCCC3)n2)c1 ZINC000000311801 180756294 /nfs/dbraw/zinc/75/62/94/180756294.db2.gz KYJJDTYQKVLJDA-UHFFFAOYSA-N 0 0 301.346 4.158 50 5 DIBARN Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000000370574 180769547 /nfs/dbraw/zinc/76/95/47/180769547.db2.gz HVBRHHDYBDJWDH-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN C[C@H](C(=O)Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000000472220 180801722 /nfs/dbraw/zinc/80/17/22/180801722.db2.gz BOTPOOTWDITEDU-ZDUSSCGKSA-N 0 0 324.380 4.216 50 5 DIBARN O=[N+]([O-])c1ccc(Sc2ccc(Cl)c(Cl)c2)nc1 ZINC000000480512 180804201 /nfs/dbraw/zinc/80/42/01/180804201.db2.gz BCBVFNWTCSBZRY-UHFFFAOYSA-N 0 0 301.154 4.448 50 5 DIBARN Cc1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002573600 180936651 /nfs/dbraw/zinc/93/66/51/180936651.db2.gz OHVHQYDNQMBURR-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC(C)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002741679 180950916 /nfs/dbraw/zinc/95/09/16/180950916.db2.gz HJPGLQBESGPDDY-UHFFFAOYSA-N 0 0 312.797 4.002 50 5 DIBARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004041159 181065684 /nfs/dbraw/zinc/06/56/84/181065684.db2.gz NIZQGDSGDDXRBK-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004013266 181062289 /nfs/dbraw/zinc/06/22/89/181062289.db2.gz FAVDDVFCEHOGER-DAXOMENPSA-N 0 0 305.374 4.212 50 5 DIBARN O=C(Nc1ccc2sccc2c1)c1ccc([N+](=O)[O-])s1 ZINC000004134732 181077148 /nfs/dbraw/zinc/07/71/48/181077148.db2.gz RMUOAORVRGMJPH-UHFFFAOYSA-N 0 0 304.352 4.123 50 5 DIBARN O=[N+]([O-])c1ccc(NCn2c3ccccc3sc2=S)cc1 ZINC000004558884 181124488 /nfs/dbraw/zinc/12/44/88/181124488.db2.gz UTKZLNADJQUIFU-UHFFFAOYSA-N 0 0 317.395 4.410 50 5 DIBARN O=c1c2ccccc2n(-c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000004661224 181133711 /nfs/dbraw/zinc/13/37/11/181133711.db2.gz GVSYDLAYPDWWSF-UHFFFAOYSA-N 0 0 316.316 4.052 50 5 DIBARN CCSc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000004702244 181139949 /nfs/dbraw/zinc/13/99/49/181139949.db2.gz OHEOPKKQEPQHJH-UHFFFAOYSA-N 0 0 313.382 4.105 50 5 DIBARN Cc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000004706655 181140679 /nfs/dbraw/zinc/14/06/79/181140679.db2.gz PPPOUPJRQXBXOP-UHFFFAOYSA-N 0 0 324.380 4.043 50 5 DIBARN CCCCc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004719194 181141863 /nfs/dbraw/zinc/14/18/63/181141863.db2.gz XVTLZKYNSADOIA-UHFFFAOYSA-N 0 0 312.369 4.498 50 5 DIBARN O=C(Nc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000004720695 181141944 /nfs/dbraw/zinc/14/19/44/181141944.db2.gz GOLWXFSBPUYULV-UHFFFAOYSA-N 0 0 310.353 4.045 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004746527 181146900 /nfs/dbraw/zinc/14/69/00/181146900.db2.gz SHTKISBZHXCUBA-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(C)c(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004795374 181153171 /nfs/dbraw/zinc/15/31/71/181153171.db2.gz LZMTWBJJOGRZKK-UHFFFAOYSA-N 0 0 320.732 4.476 50 5 DIBARN Cc1cc(OC(=O)Nc2ccccc2[N+](=O)[O-])cc(C)c1Cl ZINC000004800031 181153283 /nfs/dbraw/zinc/15/32/83/181153283.db2.gz FPGMLBCTZQCGDR-UHFFFAOYSA-N 0 0 320.732 4.476 50 5 DIBARN Cc1ccc2c(c1)C(C)(C)[C@@]1(C)Oc3ccc([N+](=O)[O-])cc3CN21 ZINC000004817379 181156140 /nfs/dbraw/zinc/15/61/40/181156140.db2.gz NJLPYVTXWBLNJW-LJQANCHMSA-N 0 0 324.380 4.310 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000004964450 181180261 /nfs/dbraw/zinc/18/02/61/181180261.db2.gz RNVHVBKWFNNVGJ-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc(NC(=O)Cc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000004993739 181186587 /nfs/dbraw/zinc/18/65/87/181186587.db2.gz YTPARVKKLGKGHA-UHFFFAOYSA-N 0 0 320.348 4.238 50 5 DIBARN O=[N+]([O-])c1ccccc1-c1ccc(-c2nnc(-c3ccco3)o2)o1 ZINC000005034195 181194623 /nfs/dbraw/zinc/19/46/23/181194623.db2.gz PWFCOJPRJDWCMF-UHFFFAOYSA-N 0 0 323.264 4.165 50 5 DIBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccccc1 ZINC000005033343 181193767 /nfs/dbraw/zinc/19/37/67/181193767.db2.gz LZKLZVGTKKRGKJ-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000005063830 181199242 /nfs/dbraw/zinc/19/92/42/181199242.db2.gz PCGLAMBTDUKVPY-UHFFFAOYSA-N 0 0 313.338 4.168 50 5 DIBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000005107950 181204356 /nfs/dbraw/zinc/20/43/56/181204356.db2.gz HFIADMKYXNWBRZ-LBPRGKRZSA-N 0 0 324.336 4.035 50 5 DIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000005123740 181206524 /nfs/dbraw/zinc/20/65/24/181206524.db2.gz DSORBINFKSAXKB-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc2c(c1)nc1scc(-c3ccc([N+](=O)[O-])cc3)n21 ZINC000005318091 181229002 /nfs/dbraw/zinc/22/90/02/181229002.db2.gz CWWPKGFVPJNXSP-UHFFFAOYSA-N 0 0 309.350 4.433 50 5 DIBARN O=[N+]([O-])c1ccc(-n2ncc3c2/C(=C/c2ccccc2)CC3)cc1 ZINC000005578106 181259765 /nfs/dbraw/zinc/25/97/65/181259765.db2.gz QCXMOXTYEOCUPK-NTCAYCPXSA-N 0 0 317.348 4.267 50 5 DIBARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000005869967 181291544 /nfs/dbraw/zinc/29/15/44/181291544.db2.gz WFGXEYVGDUHFIU-GFCCVEGCSA-N 0 0 324.336 4.035 50 5 DIBARN CNc1ccc(/C=C/c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000005931316 181297048 /nfs/dbraw/zinc/29/70/48/181297048.db2.gz APMVVATVSCBXPT-VQHVLOKHSA-N 0 0 311.366 4.417 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@@H]2CCc3ccccc3C2)c2ncccc12 ZINC000089857938 192886818 /nfs/dbraw/zinc/88/68/18/192886818.db2.gz BGHHXSFDCGJIEM-OAHLLOKOSA-N 0 0 319.364 4.112 50 5 DIBARN O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc21 ZINC000006079224 181310918 /nfs/dbraw/zinc/31/09/18/181310918.db2.gz SZAZVYZAHTXPBI-QPJJXVBHSA-N 0 0 320.304 4.042 50 5 DIBARN Cc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000008237687 181538583 /nfs/dbraw/zinc/53/85/83/181538583.db2.gz HQDGTXOLECJKBE-GFCCVEGCSA-N 0 0 324.336 4.140 50 5 DIBARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000012562438 181777378 /nfs/dbraw/zinc/77/73/78/181777378.db2.gz HPMDHXODEJYNJQ-WOPDTQHZSA-N 0 0 311.403 4.274 50 5 DIBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000020011313 182177651 /nfs/dbraw/zinc/17/76/51/182177651.db2.gz MECIHSPPVZNTDE-QMMMGPOBSA-N 0 0 312.156 4.470 50 5 DIBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000021030902 182262190 /nfs/dbraw/zinc/26/21/90/182262190.db2.gz DKEKGSNFYBRYQO-MRVPVSSYSA-N 0 0 312.156 4.470 50 5 DIBARN Cc1ccc2occ(/C=C\c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 ZINC000038341781 182998455 /nfs/dbraw/zinc/99/84/55/182998455.db2.gz HDVLXEZMZMXSFI-UTCJRWHESA-N 0 0 307.305 4.180 50 5 DIBARN Cc1c(C(=O)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000043191229 183343336 /nfs/dbraw/zinc/34/33/36/183343336.db2.gz VVWXXCXOJLRASU-UHFFFAOYSA-N 0 0 313.353 4.420 50 5 DIBARN Cc1c(NC(=O)N(C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043346781 183356546 /nfs/dbraw/zinc/35/65/46/183356546.db2.gz HIVFYENQYGRACI-ZDUSSCGKSA-N 0 0 313.357 4.128 50 5 DIBARN C[C@@H]1CCCCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000058185314 184085912 /nfs/dbraw/zinc/08/59/12/184085912.db2.gz UFLIKFWUSUCRHF-CQSZACIVSA-N 0 0 304.393 4.403 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCCC3)cc2)nc1 ZINC000058414777 184114745 /nfs/dbraw/zinc/11/47/45/184114745.db2.gz SJUGDXPNQMOURQ-UHFFFAOYSA-N 0 0 312.373 4.114 50 5 DIBARN O=[N+]([O-])c1ccccc1NCc1ccc(Oc2ccccc2)nc1 ZINC000060333598 184146027 /nfs/dbraw/zinc/14/60/27/184146027.db2.gz XCTKHHQOSIZTRA-UHFFFAOYSA-N 0 0 321.336 4.394 50 5 DIBARN O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1c(F)cccc1Cl ZINC000000101245 563216853 /nfs/dbraw/zinc/21/68/53/563216853.db2.gz HFPXJKGCRZFSQB-HNNXBMFYSA-N 0 0 305.692 4.230 50 5 DIBARN Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000000191753 563229779 /nfs/dbraw/zinc/22/97/79/563229779.db2.gz ZHRFTRQRFPZGCB-UHFFFAOYSA-N 0 0 312.170 4.037 50 5 DIBARN O=c1c2cccc3c(Cl)ccc(c4nc5ccccc5n41)c32 ZINC000000353969 563243874 /nfs/dbraw/zinc/24/38/74/563243874.db2.gz OUBUQBQRMRAFCS-UHFFFAOYSA-N 0 0 304.736 4.245 50 5 DIBARN Cc1c(OCC(=O)C(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000000373995 563246986 /nfs/dbraw/zinc/24/69/86/563246986.db2.gz GXFAQQGDMCEODN-UHFFFAOYSA-N 0 0 324.376 4.249 50 5 DIBARN CC1(C)C[C@@H](c2ccc([N+](=O)[O-])cc2)OC(c2ccccc2)=N1 ZINC000000033331 563506330 /nfs/dbraw/zinc/50/63/30/563506330.db2.gz FQMFOYPCVNLHPX-INIZCTEOSA-N 0 0 310.353 4.282 50 5 DIBARN Cc1cccc(C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000073432 563520677 /nfs/dbraw/zinc/52/06/77/563520677.db2.gz LSRHEVWZTNJYLO-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000000073430 563520722 /nfs/dbraw/zinc/52/07/22/563520722.db2.gz DWRUFZZWXMFAKM-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000225293 563579018 /nfs/dbraw/zinc/57/90/18/563579018.db2.gz DEMMRJADWMDFKN-UHFFFAOYSA-N 0 0 319.316 4.481 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000000296716 563584690 /nfs/dbraw/zinc/58/46/90/563584690.db2.gz IXCFEOUMPWDHJD-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1Br ZINC000000295115 563584895 /nfs/dbraw/zinc/58/48/95/563584895.db2.gz IIZLBCZIYOAQHU-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000000307059 563587042 /nfs/dbraw/zinc/58/70/42/563587042.db2.gz OZDCQIRQZDHGPD-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000000341273 563588823 /nfs/dbraw/zinc/58/88/23/563588823.db2.gz WGBIRBGZJMZOQW-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN Cc1ccc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)o1 ZINC000225850891 563603773 /nfs/dbraw/zinc/60/37/73/563603773.db2.gz WBWQPKQEPPSPTR-VIFPVBQESA-N 0 0 323.736 4.032 50 5 DIBARN CC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC ZINC000000474523 563624132 /nfs/dbraw/zinc/62/41/32/563624132.db2.gz SLRJBZHEEZKASA-QWRGUYRKSA-N 0 0 312.797 4.287 50 5 DIBARN CCc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000000474410 563624903 /nfs/dbraw/zinc/62/49/03/563624903.db2.gz QEKGFWXYCIGAFF-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN CC(C)(C)Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000000472872 563624976 /nfs/dbraw/zinc/62/49/76/563624976.db2.gz XEDMUCLIESORJV-UHFFFAOYSA-N 0 0 322.368 4.415 50 5 DIBARN N=C1NC(=O)/C(=C\c2c3ccccc3cc3ccccc32)S1 ZINC000000973659 563785863 /nfs/dbraw/zinc/78/58/63/563785863.db2.gz IAKPCQNRUXXAOE-MHWRWJLKSA-N 0 0 304.374 4.132 50 5 DIBARN Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000001061464 563788144 /nfs/dbraw/zinc/78/81/44/563788144.db2.gz IIPAGIFYOFRWSG-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN Cc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001227457 563796255 /nfs/dbraw/zinc/79/62/55/563796255.db2.gz JLPXDQVIUNUDHC-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001233745 563807637 /nfs/dbraw/zinc/80/76/37/563807637.db2.gz FAVDDVFCEHOGER-UHOFOFEASA-N 0 0 305.374 4.212 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000001310998 563811431 /nfs/dbraw/zinc/81/14/31/563811431.db2.gz CEBDSLXVLVBXFC-UHFFFAOYSA-N 0 0 310.265 4.449 50 5 DIBARN Cc1ccc(S/C=C2/OC(=O)c3cccc([N+](=O)[O-])c32)cc1 ZINC000075260664 563862317 /nfs/dbraw/zinc/86/23/17/563862317.db2.gz YUPYCTWLJKIDSP-NTEUORMPSA-N 0 0 313.334 4.164 50 5 DIBARN O=C(Nc1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001753340 563877602 /nfs/dbraw/zinc/87/76/02/563877602.db2.gz ASLBJPJRMOUNSB-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN Cc1cc(C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001946646 563886227 /nfs/dbraw/zinc/88/62/27/563886227.db2.gz LBQVADLFUROTNT-BQYQJAHWSA-N 0 0 310.353 4.172 50 5 DIBARN Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000012792781 563928900 /nfs/dbraw/zinc/92/89/00/563928900.db2.gz NJHZWIQFAKOHNX-GFCCVEGCSA-N 0 0 324.336 4.140 50 5 DIBARN Cc1cc(Cl)ccc1OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003086134 563941948 /nfs/dbraw/zinc/94/19/48/563941948.db2.gz BLGHMTHRPTUQSM-UHFFFAOYSA-N 0 0 324.695 4.307 50 5 DIBARN C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000003122019 563942326 /nfs/dbraw/zinc/94/23/26/563942326.db2.gz GLPAHEFEBDSJFR-VXGBXAGGSA-N 0 0 300.314 4.410 50 5 DIBARN Cc1cc2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003193699 563942865 /nfs/dbraw/zinc/94/28/65/563942865.db2.gz IAQUFGPOPUEZDA-UHFFFAOYSA-N 0 0 314.728 4.040 50 5 DIBARN Cc1ccc(C(=O)CNc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000003261712 563943253 /nfs/dbraw/zinc/94/32/53/563943253.db2.gz ZSHIRRGRNASREG-UHFFFAOYSA-N 0 0 320.348 4.351 50 5 DIBARN Cc1cc(OCc2ccc(F)c3cccnc23)ccc1[N+](=O)[O-] ZINC000032327947 563945457 /nfs/dbraw/zinc/94/54/57/563945457.db2.gz ZBWFWXDQRZTXEO-UHFFFAOYSA-N 0 0 312.300 4.170 50 5 DIBARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000008328475 563948121 /nfs/dbraw/zinc/94/81/21/563948121.db2.gz DRLBRCLUSHJWML-UHFFFAOYSA-N 0 0 324.292 4.232 50 5 DIBARN O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000039931441 563951358 /nfs/dbraw/zinc/95/13/58/563951358.db2.gz NDDZNNMXFDUKKZ-MSOLQXFVSA-N 0 0 321.380 4.378 50 5 DIBARN CC(C)Sc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000010253299 563958276 /nfs/dbraw/zinc/95/82/76/563958276.db2.gz FMYAXOGFZLJEFY-UHFFFAOYSA-N 0 0 316.382 4.348 50 5 DIBARN CCOc1ccc(Cl)cc1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000015009409 568414504 /nfs/dbraw/zinc/41/45/04/568414504.db2.gz PMCPPZXPNNQWIL-GQCTYLIASA-N 0 0 308.721 4.114 50 5 DIBARN Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000465304 1040111933 /nfs/dbraw/zinc/11/19/33/1040111933.db2.gz QGEFHECINNSSGR-JXMROGBWSA-N 0 0 316.744 4.209 50 5 DIBARN O=[N+]([O-])c1ccc2cnn(Cc3ccc(Cl)c(Cl)c3)c2c1 ZINC000014730746 1044483183 /nfs/dbraw/zinc/48/31/83/1044483183.db2.gz ISOPYQSMKPCAOC-UHFFFAOYSA-N 0 0 322.151 4.300 50 5 DIBARN O=[N+]([O-])c1cc2sc(-c3ccccc3)cc2c([N+](=O)[O-])c1 ZINC000015084471 1044490225 /nfs/dbraw/zinc/49/02/25/1044490225.db2.gz UZDIGBYOJAXQLD-UHFFFAOYSA-N 0 0 300.295 4.385 50 5 DIBARN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000095634834 185383057 /nfs/dbraw/zinc/38/30/57/185383057.db2.gz KEJZGCJLCDEVDK-UHFFFAOYSA-N 0 0 318.760 4.223 50 5 DIBARN Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)ccn1 ZINC000078892744 185123898 /nfs/dbraw/zinc/12/38/98/185123898.db2.gz XARJPONRYNOPDZ-UHFFFAOYSA-N 0 0 313.360 4.344 50 5 DIBARN COc1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)cc1O ZINC000096792274 185388411 /nfs/dbraw/zinc/38/84/11/185388411.db2.gz RGFHTNNLRADCHW-YVMONPNESA-N 0 0 322.320 4.028 50 5 DIBARN CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)o1 ZINC000095409769 185357049 /nfs/dbraw/zinc/35/70/49/185357049.db2.gz UMKZXDQUECSXDF-OAHLLOKOSA-N 0 0 303.362 4.345 50 5 DIBARN Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000000103049 180694028 /nfs/dbraw/zinc/69/40/28/180694028.db2.gz OAKXSHAPYKCFOK-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN COc1cccc([C@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])c1 ZINC000000103573 180694093 /nfs/dbraw/zinc/69/40/93/180694093.db2.gz TYHVKSXMTXARPU-MRXNPFEDSA-N 0 0 317.728 4.100 50 5 DIBARN CCc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000118392 180698757 /nfs/dbraw/zinc/69/87/57/180698757.db2.gz UFKPCYBRKWNKEB-UHFFFAOYSA-N 0 0 305.717 4.030 50 5 DIBARN CC(C)CN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000118381 180698831 /nfs/dbraw/zinc/69/88/31/180698831.db2.gz YPGGQCPCKCWIAJ-UHFFFAOYSA-N 0 0 312.797 4.002 50 5 DIBARN CN1c2ccccc2C(C)(C)[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000000162158 180712259 /nfs/dbraw/zinc/71/22/59/180712259.db2.gz AZZVYIDATNYVSN-LJQANCHMSA-N 0 0 322.364 4.124 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc(Cc3ccccc3)cc2)nc1 ZINC000000166477 180712698 /nfs/dbraw/zinc/71/26/98/180712698.db2.gz QOUHKOALRNSNAE-UHFFFAOYSA-N 0 0 306.321 4.373 50 5 DIBARN Cc1c(C(=O)Nc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000000259090 180740404 /nfs/dbraw/zinc/74/04/04/180740404.db2.gz IOGBHGFBOHUJPY-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc(C)c1Cl ZINC000000310490 180755733 /nfs/dbraw/zinc/75/57/33/180755733.db2.gz JEHZZNPDCQXQIX-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN CC[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000000311459 180756035 /nfs/dbraw/zinc/75/60/35/180756035.db2.gz HUUBADWCJIANTP-HNNXBMFYSA-N 0 0 309.325 4.187 50 5 DIBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000000298951 180751628 /nfs/dbraw/zinc/75/16/28/180751628.db2.gz GAXSQKIMJWEDMA-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000000441617 180791991 /nfs/dbraw/zinc/79/19/91/180791991.db2.gz NZKKJNVOUBMOID-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN O=C(/C=C/c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1F ZINC000000455654 180796480 /nfs/dbraw/zinc/79/64/80/180796480.db2.gz JFFIUTRUJHIYNC-VMPITWQZSA-N 0 0 320.707 4.039 50 5 DIBARN CC(C)c1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000462710 180798457 /nfs/dbraw/zinc/79/84/57/180798457.db2.gz JCEXYVKYAQFXJC-UHFFFAOYSA-N 0 0 312.369 4.403 50 5 DIBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccccc1[N+](=O)[O-] ZINC000000444431 180793252 /nfs/dbraw/zinc/79/32/52/180793252.db2.gz MNFCGRKHTAGJLG-UHFFFAOYSA-N 0 0 318.332 4.099 50 5 DIBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 ZINC000000455627 180796455 /nfs/dbraw/zinc/79/64/55/180796455.db2.gz BAPHRMNFWZSVGS-UHFFFAOYSA-N 0 0 310.136 4.441 50 5 DIBARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000472185 180801674 /nfs/dbraw/zinc/80/16/74/180801674.db2.gz VOSKSEUTHLLLAF-VIFPVBQESA-N 0 0 322.723 4.130 50 5 DIBARN CC[C@H](C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000000473922 180801927 /nfs/dbraw/zinc/80/19/27/180801927.db2.gz OZSQWXJJWTWEAC-ZJTSMVRJSA-N 0 0 304.390 4.034 50 5 DIBARN Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000000474215 180802046 /nfs/dbraw/zinc/80/20/46/180802046.db2.gz PNDYIABAPIFFGV-UHFFFAOYSA-N 0 0 318.760 4.426 50 5 DIBARN O=C(Nc1ccc(SC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002685654 180946720 /nfs/dbraw/zinc/94/67/20/180946720.db2.gz MJVFPDJTLMYOPV-UHFFFAOYSA-N 0 0 324.308 4.162 50 5 DIBARN O=C(/C=C/c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000003344145 181009002 /nfs/dbraw/zinc/00/90/02/181009002.db2.gz FNKRQEVBEJSNTA-BQYQJAHWSA-N 0 0 317.728 4.005 50 5 DIBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nnco2)cc1 ZINC000003449589 181021356 /nfs/dbraw/zinc/02/13/56/181021356.db2.gz HYINIAWTWAENKH-UHFFFAOYSA-N 0 0 317.688 4.091 50 5 DIBARN Cc1sc2nc(C)nc(Nc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000003913491 181058111 /nfs/dbraw/zinc/05/81/11/181058111.db2.gz RRBPZZVMCOOGNI-UHFFFAOYSA-N 0 0 314.370 4.268 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2ccccc2c1 ZINC000004070517 181069640 /nfs/dbraw/zinc/06/96/40/181069640.db2.gz TYLQUYFQIWKRFY-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN O=[N+]([O-])c1cccc2ccc(-c3cnc4ccccc4c3)nc21 ZINC000004081973 181070391 /nfs/dbraw/zinc/07/03/91/181070391.db2.gz OGZUCXWARNJGTM-UHFFFAOYSA-N 0 0 301.305 4.358 50 5 DIBARN O=C(Nc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004539245 181122082 /nfs/dbraw/zinc/12/20/82/181122082.db2.gz PKHCOKPNSGKIDV-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN CCc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000004614939 181129889 /nfs/dbraw/zinc/12/98/89/181129889.db2.gz SXCDFIWWBLFKQF-UHFFFAOYSA-N 0 0 320.776 4.302 50 5 DIBARN COc1ccc(NC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000004696449 181138317 /nfs/dbraw/zinc/13/83/17/181138317.db2.gz DIEPZZJSFZAVMX-UHFFFAOYSA-N 0 0 322.320 4.009 50 5 DIBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1C ZINC000004701857 181139178 /nfs/dbraw/zinc/13/91/78/181139178.db2.gz YBLCVOFDRBTXPW-UHFFFAOYSA-N 0 0 324.380 4.043 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000004689092 181137111 /nfs/dbraw/zinc/13/71/11/181137111.db2.gz IRRMYCVEBIJIAY-RUDMXATFSA-N 0 0 316.744 4.209 50 5 DIBARN CCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000004814298 181155528 /nfs/dbraw/zinc/15/55/28/181155528.db2.gz CSBALMGEBBNZJA-UHFFFAOYSA-N 0 0 312.369 4.350 50 5 DIBARN C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004917139 181173019 /nfs/dbraw/zinc/17/30/19/181173019.db2.gz UTKRUWZLAKHIDL-PKNBQFBNSA-N 0 0 316.744 4.290 50 5 DIBARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000004964731 181180543 /nfs/dbraw/zinc/18/05/43/181180543.db2.gz KJDHLFWFJZEMNH-UHFFFAOYSA-N 0 0 314.385 4.140 50 5 DIBARN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000005009989 181190604 /nfs/dbraw/zinc/19/06/04/181190604.db2.gz YTBFFLAAHDJSDR-UHFFFAOYSA-N 0 0 317.153 4.215 50 5 DIBARN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005028164 181192713 /nfs/dbraw/zinc/19/27/13/181192713.db2.gz LXCIKEUEMGGXQV-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN Cc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005233981 181218969 /nfs/dbraw/zinc/21/89/69/181218969.db2.gz YDLKLWUWGLHXJV-UHFFFAOYSA-N 0 0 322.320 4.416 50 5 DIBARN O=[N+]([O-])c1cccc(CSc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000005264963 181223464 /nfs/dbraw/zinc/22/34/64/181223464.db2.gz FSHVFQLQEXHBMA-UHFFFAOYSA-N 0 0 319.773 4.417 50 5 DIBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000005583791 181260607 /nfs/dbraw/zinc/26/06/07/181260607.db2.gz JEOKYVBDDJRWBL-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=[N+]([O-])c1ccccc1NCCNc1cccc2ccccc21 ZINC000005689039 181273155 /nfs/dbraw/zinc/27/31/55/181273155.db2.gz VDTJGROPROFWDU-UHFFFAOYSA-N 0 0 307.353 4.272 50 5 DIBARN O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(Cl)c2)c1 ZINC000005799347 181285259 /nfs/dbraw/zinc/28/52/59/181285259.db2.gz ZAZVULHJRHKFQN-UHFFFAOYSA-N 0 0 307.762 4.057 50 5 DIBARN Fc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000006258082 181323137 /nfs/dbraw/zinc/32/31/37/181323137.db2.gz PHBYHVUHCZKECZ-UHFFFAOYSA-N 0 0 314.323 4.465 50 5 DIBARN CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006285110 181326642 /nfs/dbraw/zinc/32/66/42/181326642.db2.gz RUTLXMUCIZHHLY-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2cccc3cccnc32)c2ccncc21 ZINC000006542232 181352516 /nfs/dbraw/zinc/35/25/16/181352516.db2.gz FPXQZMZBBQAANJ-UHFFFAOYSA-N 0 0 317.304 4.484 50 5 DIBARN COc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC000006831938 181396593 /nfs/dbraw/zinc/39/65/93/181396593.db2.gz SOTCAMYODSULSB-CSKARUKUSA-N 0 0 306.321 4.322 50 5 DIBARN Cc1cccc(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000009690399 181635655 /nfs/dbraw/zinc/63/56/55/181635655.db2.gz BCISHKQTWXUPFD-ZDUSSCGKSA-N 0 0 313.357 4.128 50 5 DIBARN Cc1cccc(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000009690400 181635746 /nfs/dbraw/zinc/63/57/46/181635746.db2.gz BCISHKQTWXUPFD-CYBMUJFWSA-N 0 0 313.357 4.128 50 5 DIBARN Cc1nnc(-c2ccc(N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000097232153 193695599 /nfs/dbraw/zinc/69/55/99/193695599.db2.gz SBYMOPAZZFIUOD-LLVKDONJSA-N 0 0 324.340 4.126 50 5 DIBARN Cc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1C ZINC000017145415 182077085 /nfs/dbraw/zinc/07/70/85/182077085.db2.gz YJNIAXRTAVSJHJ-UHFFFAOYSA-N 0 0 310.309 4.062 50 5 DIBARN CC(C)(C)C1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000018250303 182100668 /nfs/dbraw/zinc/10/06/68/182100668.db2.gz MBZMAUXSWBHJCP-UHFFFAOYSA-N 0 0 304.390 4.386 50 5 DIBARN CC(C)(C)[C@H]1CCc2nc(N)c3c(c4ccccc4oc3=O)c2C1 ZINC000019015023 182103895 /nfs/dbraw/zinc/10/38/95/182103895.db2.gz JONBSVGDEYLTQJ-NSHDSACASA-N 0 0 322.408 4.074 50 5 DIBARN CCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] ZINC000020897613 182252367 /nfs/dbraw/zinc/25/23/67/182252367.db2.gz RTAFXSJSSXEMSY-UHFFFAOYSA-N 0 0 324.340 4.052 50 5 DIBARN O=[N+]([O-])c1cc(Cl)c(C(F)(F)F)cc1Br ZINC000040564659 183102782 /nfs/dbraw/zinc/10/27/82/183102782.db2.gz COXWQBVLBUBRPG-UHFFFAOYSA-N 0 0 304.449 4.030 50 5 DIBARN Cc1c(CSc2nncc3ccccc32)cccc1[N+](=O)[O-] ZINC000042156343 183236716 /nfs/dbraw/zinc/23/67/16/183236716.db2.gz SNIGMXFZAGWCGA-UHFFFAOYSA-N 0 0 311.366 4.139 50 5 DIBARN CCCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045125312 183483304 /nfs/dbraw/zinc/48/33/04/183483304.db2.gz MVNLCVOEBMHQHH-KBPBESRZSA-N 0 0 321.421 4.266 50 5 DIBARN CCN1c2ccc([N+](=O)[O-])cc2N(CC)[C@]1(C)c1ccccc1 ZINC000058502127 184120777 /nfs/dbraw/zinc/12/07/77/184120777.db2.gz SRJXNMVCTPQMLX-GOSISDBHSA-N 0 0 311.385 4.134 50 5 DIBARN Cc1cccc(C(=O)N(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000063443057 184281441 /nfs/dbraw/zinc/28/14/41/184281441.db2.gz ROHSOIBSKMXMAL-UHFFFAOYSA-N 0 0 316.401 4.231 50 5 DIBARN CC(C)c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000129615 257234214 /nfs/dbraw/zinc/23/42/14/257234214.db2.gz YVXOPBYFEJPUEK-IZZDOVSWSA-N 0 0 311.337 4.337 50 5 DIBARN O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004771209 257267657 /nfs/dbraw/zinc/26/76/57/257267657.db2.gz BKTSJYPPBKCKDU-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@@H]1c1ccc(F)cc1 ZINC000000103559 563217643 /nfs/dbraw/zinc/21/76/43/563217643.db2.gz GQFLCBOBLRTGCQ-OAHLLOKOSA-N 0 0 305.692 4.230 50 5 DIBARN c1sc2nnc3c4ccccc4nc-3n2c1-c1ccccc1 ZINC000000383321 563247964 /nfs/dbraw/zinc/24/79/64/563247964.db2.gz OVGLRXMIGWENAR-UHFFFAOYSA-N 0 0 302.362 4.111 50 5 DIBARN O=c1c2ccccc2c2nc3ccccc3[nH]c(-c3ccccc3)c1-2 ZINC000002385460 563302859 /nfs/dbraw/zinc/30/28/59/563302859.db2.gz RMXILNLSOMBLRH-UHFFFAOYSA-N 0 0 322.367 4.468 50 5 DIBARN COC(=O)c1cc(-c2ccc(C)cc2Cl)cc([N+](=O)[O-])c1 ZINC000097757260 563357414 /nfs/dbraw/zinc/35/74/14/563357414.db2.gz HCUNFDDXLJMCIP-UHFFFAOYSA-N 0 0 305.717 4.010 50 5 DIBARN O=[N+]([O-])c1ccc(-c2cn(-c3ccccc3F)c(=S)[nH]2)cc1 ZINC000013497235 563460382 /nfs/dbraw/zinc/46/03/82/563460382.db2.gz BAPPGMNQDCOZOQ-UHFFFAOYSA-N 0 0 315.329 4.249 50 5 DIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000000040850 563508214 /nfs/dbraw/zinc/50/82/14/563508214.db2.gz YNGMASWTBSHXPM-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000000070406 563520726 /nfs/dbraw/zinc/52/07/26/563520726.db2.gz PDJBTJKYAMVPNB-UHFFFAOYSA-N 0 0 315.716 4.274 50 5 DIBARN O=[N+]([O-])c1cccnc1Oc1ccc(OCc2ccccc2)cc1 ZINC000000091899 563527500 /nfs/dbraw/zinc/52/75/00/563527500.db2.gz ASRRYTJDPMUOHW-UHFFFAOYSA-N 0 0 322.320 4.361 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc(C3SCCS3)cc2)nc1 ZINC000000115726 563570285 /nfs/dbraw/zinc/57/02/85/563570285.db2.gz PUBJYBYIWNPNFR-UHFFFAOYSA-N 0 0 320.395 4.261 50 5 DIBARN C[C@@](C#N)(c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000116084 563570768 /nfs/dbraw/zinc/57/07/68/563570768.db2.gz RFQPADMFVLHYSN-OAHLLOKOSA-N 0 0 320.270 4.443 50 5 DIBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc32)N1 ZINC000000124165 563571443 /nfs/dbraw/zinc/57/14/43/563571443.db2.gz OULQVGXMYCRFAL-MRXNPFEDSA-N 0 0 318.332 4.222 50 5 DIBARN O=[N+]([O-])c1c2nsnc2ccc1Sc1ccc(Cl)cc1 ZINC000000168262 563573914 /nfs/dbraw/zinc/57/39/14/563573914.db2.gz WERXUKHHNJYRLU-UHFFFAOYSA-N 0 0 323.786 4.404 50 5 DIBARN O=[N+]([O-])c1cccnc1Sc1cc(Cl)ccc1Cl ZINC000000166654 563574101 /nfs/dbraw/zinc/57/41/01/563574101.db2.gz VYBGAPGBEQFITK-UHFFFAOYSA-N 0 0 301.154 4.448 50 5 DIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ccccc21 ZINC000000189293 563575996 /nfs/dbraw/zinc/57/59/96/563575996.db2.gz DQKAEQRLMQPXCT-UHFFFAOYSA-N 0 0 324.361 4.012 50 5 DIBARN Cc1c(C(=O)Nc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000000259089 563582812 /nfs/dbraw/zinc/58/28/12/563582812.db2.gz PVEPMZABJVMJCU-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN O=[N+]([O-])c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000000266051 563583492 /nfs/dbraw/zinc/58/34/92/563583492.db2.gz WQCLSYOCZOQWRT-UHFFFAOYSA-N 0 0 319.114 4.166 50 5 DIBARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000286709 563584931 /nfs/dbraw/zinc/58/49/31/563584931.db2.gz AEHTWAMBORIMGG-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000000291659 563585435 /nfs/dbraw/zinc/58/54/35/563585435.db2.gz JSGJEVHVLVBEOO-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1ccc([C@H]2CO[C@@H](c3ccc(Cl)cc3)O2)cc1 ZINC000000310341 563587343 /nfs/dbraw/zinc/58/73/43/563587343.db2.gz HQVSKFNVPCFKKI-HUUCEWRRSA-N 0 0 305.717 4.035 50 5 DIBARN Cc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000371381 563591243 /nfs/dbraw/zinc/59/12/43/563591243.db2.gz ASYNLNGTEDCBLK-UHFFFAOYSA-N 0 0 305.721 4.201 50 5 DIBARN CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000375580 563591263 /nfs/dbraw/zinc/59/12/63/563591263.db2.gz BSQJSUQXMBJVEN-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000555061 563669368 /nfs/dbraw/zinc/66/93/68/563669368.db2.gz VQNVNYJCFFQIHL-LBPRGKRZSA-N 0 0 316.382 4.023 50 5 DIBARN C[C@H](OC(=O)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000048314631 563695849 /nfs/dbraw/zinc/69/58/49/563695849.db2.gz CTKTWVOUEZBZJT-LBPRGKRZSA-N 0 0 324.336 4.005 50 5 DIBARN CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000614975 563698647 /nfs/dbraw/zinc/69/86/47/563698647.db2.gz CTIAIQPJUWQJJD-UHFFFAOYSA-N 0 0 312.797 4.193 50 5 DIBARN O=[N+]([O-])c1cc(NCc2ncc(-c3ccccc3)o2)ccc1F ZINC000008324292 563721491 /nfs/dbraw/zinc/72/14/91/563721491.db2.gz ZBFKDARMSLQQOO-UHFFFAOYSA-N 0 0 313.288 4.001 50 5 DIBARN COc1ccc(CN2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000051853008 563724101 /nfs/dbraw/zinc/72/41/01/563724101.db2.gz NNMNQLSECSNTMH-AWEZNQCLSA-N 0 0 318.398 4.002 50 5 DIBARN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 ZINC000025292977 563786918 /nfs/dbraw/zinc/78/69/18/563786918.db2.gz RBVBKMOLIDFMON-UHFFFAOYSA-N 0 0 324.380 4.016 50 5 DIBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000025371083 563787270 /nfs/dbraw/zinc/78/72/70/563787270.db2.gz OCCGWMVPBTWDRO-QMMMGPOBSA-N 0 0 312.156 4.470 50 5 DIBARN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccco1 ZINC000001216660 563795569 /nfs/dbraw/zinc/79/55/69/563795569.db2.gz SZGURJWJDWTRNU-UHFFFAOYSA-N 0 0 324.292 4.232 50 5 DIBARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1 ZINC000001508905 563842280 /nfs/dbraw/zinc/84/22/80/563842280.db2.gz NOTGPRDBMREYMZ-UHFFFAOYSA-N 0 0 323.352 4.038 50 5 DIBARN Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000012871291 563848943 /nfs/dbraw/zinc/84/89/43/563848943.db2.gz MTLPZOBTRQJUKC-LBPRGKRZSA-N 0 0 324.336 4.140 50 5 DIBARN COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000075105842 563859742 /nfs/dbraw/zinc/85/97/42/563859742.db2.gz WNTPMSNKNROQKN-MRXNPFEDSA-N 0 0 315.373 4.198 50 5 DIBARN O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 ZINC000026423063 563864351 /nfs/dbraw/zinc/86/43/51/563864351.db2.gz QRWDPGLAVJVIAX-UHFFFAOYSA-N 0 0 315.329 4.249 50 5 DIBARN Cc1ccc(COC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001741905 563874451 /nfs/dbraw/zinc/87/44/51/563874451.db2.gz QVRCKMKVPJVJOP-UHFFFAOYSA-N 0 0 320.732 4.305 50 5 DIBARN Cc1cc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000036395972 563898783 /nfs/dbraw/zinc/89/87/83/563898783.db2.gz HNWHLDYZBGAXMO-SNVBAGLBSA-N 0 0 319.386 4.156 50 5 DIBARN CCCC[C@H](CC)CNC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000007350682 563905329 /nfs/dbraw/zinc/90/53/29/563905329.db2.gz BMMWFKUOSAOHDT-LBPRGKRZSA-N 0 0 309.435 4.098 50 5 DIBARN O=[N+]([O-])c1cc(CSc2ccc3c(c2)OCCCO3)cs1 ZINC000054428563 563913916 /nfs/dbraw/zinc/91/39/16/563913916.db2.gz IEVXAEZAJHQQLX-UHFFFAOYSA-N 0 0 323.395 4.110 50 5 DIBARN CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(C)c1 ZINC000009095383 563927701 /nfs/dbraw/zinc/92/77/01/563927701.db2.gz CFNIYWAGGCDGSV-UHFFFAOYSA-N 0 0 312.369 4.268 50 5 DIBARN CC(C)CN(CC(C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002741364 563940557 /nfs/dbraw/zinc/94/05/57/563940557.db2.gz CWHWMKAXBIYYSH-UHFFFAOYSA-N 0 0 312.797 4.002 50 5 DIBARN CC(C)(c1ccc(C(=O)c2ccccc2)cc1)C(C)(C)[N+](=O)[O-] ZINC000003080758 563941966 /nfs/dbraw/zinc/94/19/66/563941966.db2.gz SJLJPZOVZYFZIG-UHFFFAOYSA-N 0 0 311.381 4.251 50 5 DIBARN C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000003122022 563942236 /nfs/dbraw/zinc/94/22/36/563942236.db2.gz GLPAHEFEBDSJFR-RYUDHWBXSA-N 0 0 300.314 4.410 50 5 DIBARN Cc1cc([C@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000031662790 563944490 /nfs/dbraw/zinc/94/44/90/563944490.db2.gz LXYVAEUGEHFBBF-JTQLQIEISA-N 0 0 319.386 4.156 50 5 DIBARN Cc1sc2ncnc(Oc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000008080346 563946573 /nfs/dbraw/zinc/94/65/73/563946573.db2.gz DGJKOURFOFDDAX-UHFFFAOYSA-N 0 0 301.327 4.009 50 5 DIBARN COc1ccc2c(c1)c(=O)oc1c(C)c3c(cc21)CCC(C)(C)O3 ZINC000008764719 563950571 /nfs/dbraw/zinc/95/05/71/563950571.db2.gz QFEOTCMOMOMHDU-UHFFFAOYSA-N 0 0 324.376 4.367 50 5 biogenic DIBARN O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)[C@@H]3CCCC[C@H]32)cc1 ZINC000039931442 563951298 /nfs/dbraw/zinc/95/12/98/563951298.db2.gz NDDZNNMXFDUKKZ-QZTJIDSGSA-N 0 0 321.380 4.378 50 5 DIBARN Cc1ccc(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009690402 563957337 /nfs/dbraw/zinc/95/73/37/563957337.db2.gz CSEWMTRNZGJIDZ-CYBMUJFWSA-N 0 0 313.357 4.128 50 5 DIBARN Cc1ccc(C)c([C@H](C)NC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000033040338 1037185900 /nfs/dbraw/zinc/18/59/00/1037185900.db2.gz BPPMZXHCVCLOMF-ZDUSSCGKSA-N 0 0 313.357 4.094 50 5 DIBARN CCCc1cc(=O)[nH]c(C(=Cc2ccc([N+](=O)[O-])s2)CC)n1 ZINC000588611139 1039922005 /nfs/dbraw/zinc/92/20/05/1039922005.db2.gz ROKHVQWCGZSFIC-NTMALXAHSA-N 0 0 319.386 4.055 50 5 DIBARN O=[N+]([O-])c1cccc(Cl)c1CSc1nc2ccccc2[nH]1 ZINC000000467631 1040112685 /nfs/dbraw/zinc/11/26/85/1040112685.db2.gz FXCJKDMAIKKASL-UHFFFAOYSA-N 0 0 319.773 4.417 50 5 DIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCCC1 ZINC000013135242 1040560976 /nfs/dbraw/zinc/56/09/76/1040560976.db2.gz HQZQNMYBHWJKOG-CSKARUKUSA-N 0 0 322.792 4.100 50 5 DIBARN O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1 ZINC000001123049 1047417975 /nfs/dbraw/zinc/41/79/75/1047417975.db2.gz GMKDMJZFYJLARY-UHFFFAOYSA-N 0 0 313.338 4.168 50 5 DIBARN O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)ccc1C(F)(F)F ZINC000095215638 1051934647 /nfs/dbraw/zinc/93/46/47/1051934647.db2.gz JTIOGEQANRWHQD-UHFFFAOYSA-N 0 0 324.469 4.320 50 5 DIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(Cl)(Cl)Cl ZINC000095215761 1051942166 /nfs/dbraw/zinc/94/21/66/1051942166.db2.gz YXHMQBKNKMRXCF-UHFFFAOYSA-N 0 0 324.469 4.320 50 5 DIBARN COc1ccc(SC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002173680 1052569090 /nfs/dbraw/zinc/56/90/90/1052569090.db2.gz WEBMZGORUVZWOZ-UHFFFAOYSA-N 0 0 318.354 4.236 50 5 DIBARN CNc1ccc(/C=C\c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000033528143 1052794253 /nfs/dbraw/zinc/79/42/53/1052794253.db2.gz APMVVATVSCBXPT-CLFYSBASSA-N 0 0 311.366 4.417 50 5 DIBARN CC(=O)CCc1oc2ccc([N+](=O)[O-])cc2c1-c1ccc(C)o1 ZINC000000184191 1055513405 /nfs/dbraw/zinc/51/34/05/1055513405.db2.gz KEPCVLLQGUTGOW-UHFFFAOYSA-N 0 0 313.309 4.431 50 5 DIBARN CCc1ccc([C@@H]2C[C@H](C)CCN2c2ncccc2[N+](=O)[O-])o1 ZINC000083825403 192385818 /nfs/dbraw/zinc/38/58/18/192385818.db2.gz WENGAHUEUSCZLE-DOMZBBRYSA-N 0 0 315.373 4.123 50 5 DIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)CCC2 ZINC000072305677 191117326 /nfs/dbraw/zinc/11/73/26/191117326.db2.gz ZZSRUHROQKHGLJ-UHFFFAOYSA-N 0 0 307.305 4.061 50 5 DIBARN O=c1oc2ccc(Cl)cc2cc1-c1ccc([N+](=O)[O-])cc1 ZINC000000070520 180683433 /nfs/dbraw/zinc/68/34/33/180683433.db2.gz UYEPIMIMXKQTJZ-UHFFFAOYSA-N 0 0 301.685 4.022 50 5 DIBARN Cc1ccc(-c2nc(N)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000048930 180677827 /nfs/dbraw/zinc/67/78/27/180677827.db2.gz CPYAPFRYVRRLRX-UHFFFAOYSA-N 0 0 311.366 4.276 50 5 DIBARN O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000103027 180693827 /nfs/dbraw/zinc/69/38/27/180693827.db2.gz RXNGJKRQRGSFGW-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN COc1ccc(CSc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000000262025 180740994 /nfs/dbraw/zinc/74/09/94/180740994.db2.gz DDILZJJKQZTZQO-UHFFFAOYSA-N 0 0 316.338 4.037 50 5 DIBARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288730 180748964 /nfs/dbraw/zinc/74/89/64/180748964.db2.gz VFTOGOQBQLKOCP-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CCc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000288765 180749129 /nfs/dbraw/zinc/74/91/29/180749129.db2.gz MPVPTBGVNFUJNC-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl ZINC000000272657 180744360 /nfs/dbraw/zinc/74/43/60/180744360.db2.gz KRERYMXZHZQGSX-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN CSc1ccc(NC(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000002156160 180912597 /nfs/dbraw/zinc/91/25/97/180912597.db2.gz MFXCKKUQYSWMCA-UHFFFAOYSA-N 0 0 318.354 4.065 50 5 DIBARN C[C@H](C1CC1)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003135466 180985242 /nfs/dbraw/zinc/98/52/42/180985242.db2.gz LDYOYHATFGPLPR-CYBMUJFWSA-N 0 0 310.353 4.040 50 5 DIBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000003438520 181019598 /nfs/dbraw/zinc/01/95/98/181019598.db2.gz OKUPIVAEEDPJHT-UHFFFAOYSA-N 0 0 307.305 4.105 50 5 DIBARN Nc1ncnc(NC2CCCCCCCCCCC2)c1[N+](=O)[O-] ZINC000003912517 181058066 /nfs/dbraw/zinc/05/80/66/181058066.db2.gz BPEAUVRBARHFMV-UHFFFAOYSA-N 0 0 321.425 4.052 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)cc2)nc1 ZINC000004092002 181072118 /nfs/dbraw/zinc/07/21/18/181072118.db2.gz MFVRARTXSLLOML-UHFFFAOYSA-N 0 0 306.325 4.477 50 5 DIBARN O=[N+]([O-])c1ccc(N2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000004363333 181102491 /nfs/dbraw/zinc/10/24/91/181102491.db2.gz IYKADAZSWAECEO-CWQZNGJJSA-N 0 0 309.152 4.288 50 5 DIBARN Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c1 ZINC000004420144 181109027 /nfs/dbraw/zinc/10/90/27/181109027.db2.gz KZNDOJMINLTNIM-UHFFFAOYSA-N 0 0 324.296 4.103 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000004410644 181107379 /nfs/dbraw/zinc/10/73/79/181107379.db2.gz CTRSWMDJBKJDRK-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc31)CC2 ZINC000004566236 181125567 /nfs/dbraw/zinc/12/55/67/181125567.db2.gz UIORJGKJMUGVFX-UHFFFAOYSA-N 0 0 303.317 4.078 50 5 DIBARN CCc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004589518 181127898 /nfs/dbraw/zinc/12/78/98/181127898.db2.gz GLSVCZUDSFHUBA-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc([N+](=O)[O-])c1 ZINC000004698401 181138487 /nfs/dbraw/zinc/13/84/87/181138487.db2.gz SMCJDFASTNJOQT-UHFFFAOYSA-N 0 0 314.385 4.140 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000004755240 181148375 /nfs/dbraw/zinc/14/83/75/181148375.db2.gz QTRNEWCDXMWZAE-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])o1 ZINC000004838645 181160016 /nfs/dbraw/zinc/16/00/16/181160016.db2.gz URUVDCCYSJEGQQ-UHFFFAOYSA-N 0 0 322.276 4.340 50 5 DIBARN Cc1c(C)c([N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000004918626 181173295 /nfs/dbraw/zinc/17/32/95/181173295.db2.gz JFPIVZRXRWNMQR-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000073640049 191335573 /nfs/dbraw/zinc/33/55/73/191335573.db2.gz UWSMVEHMAYPFIU-UHFFFAOYSA-N 0 0 319.114 4.166 50 5 DIBARN Cc1ccc(C)c(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])c1 ZINC000004981834 181183692 /nfs/dbraw/zinc/18/36/92/181183692.db2.gz LCCQNYQZZYOPJB-UHFFFAOYSA-N 0 0 310.309 4.062 50 5 DIBARN Cc1ccc(NCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000004982247 181183604 /nfs/dbraw/zinc/18/36/04/181183604.db2.gz GCAFQOSKUZCFDD-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004985681 181185282 /nfs/dbraw/zinc/18/52/82/181185282.db2.gz XJKZXJHCJRZCNI-UHFFFAOYSA-N 0 0 312.369 4.453 50 5 DIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1F ZINC000005060527 181198363 /nfs/dbraw/zinc/19/83/63/181198363.db2.gz JXONPPKRYJENMO-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN CCCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 ZINC000005064403 181199491 /nfs/dbraw/zinc/19/94/91/181199491.db2.gz XICKKTXHGZFXRS-UHFFFAOYSA-N 0 0 313.357 4.059 50 5 DIBARN O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1[N+](=O)[O-] ZINC000005248431 181221104 /nfs/dbraw/zinc/22/11/04/181221104.db2.gz XDIPOBQVBXLETD-UHFFFAOYSA-N 0 0 305.888 4.117 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000005618225 181264740 /nfs/dbraw/zinc/26/47/40/181264740.db2.gz KPHHIHDOHSTVAJ-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Oc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000006269891 181325121 /nfs/dbraw/zinc/32/51/21/181325121.db2.gz YTWVAYHPIQWABC-UHFFFAOYSA-N 0 0 312.332 4.032 50 5 DIBARN CSc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007684186 181486773 /nfs/dbraw/zinc/48/67/73/181486773.db2.gz MJTZQPLLFUCMQK-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009690401 181635634 /nfs/dbraw/zinc/63/56/34/181635634.db2.gz CSEWMTRNZGJIDZ-ZDUSSCGKSA-N 0 0 313.357 4.128 50 5 DIBARN O=[N+]([O-])c1ccc(CN(Cc2ccco2)Cc2ccccc2)cc1 ZINC000015482894 182004809 /nfs/dbraw/zinc/00/48/09/182004809.db2.gz NXPQKJPFBANGDK-UHFFFAOYSA-N 0 0 322.364 4.390 50 5 DIBARN CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000015566063 182007301 /nfs/dbraw/zinc/00/73/01/182007301.db2.gz OTWKNYQNJYTSDV-UHFFFAOYSA-N 0 0 308.293 4.138 50 5 DIBARN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2n1 ZINC000019160814 182106202 /nfs/dbraw/zinc/10/62/02/182106202.db2.gz BWULIUMOLHEFJT-UHFFFAOYSA-N 0 0 321.336 4.012 50 5 DIBARN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000022420136 182321585 /nfs/dbraw/zinc/32/15/85/182321585.db2.gz GWINTPXPBSONOV-OAHLLOKOSA-N 0 0 305.765 4.452 50 5 DIBARN C[N@H+](Cc1ccc([O-])c([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC000023280946 182355715 /nfs/dbraw/zinc/35/57/15/182355715.db2.gz JXNHYLZGWPYKGL-UHFFFAOYSA-N 0 0 322.364 4.086 50 5 DIBARN Cc1noc(C)c1CSc1ccc([N+](=O)[O-])c2cccnc12 ZINC000024769928 182390473 /nfs/dbraw/zinc/39/04/73/182390473.db2.gz YOGZZLLOJLCVEJ-UHFFFAOYSA-N 0 0 315.354 4.040 50 5 DIBARN CC(C)c1ccccc1OCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000041146134 183176327 /nfs/dbraw/zinc/17/63/27/183176327.db2.gz BJOQQYITSDWNGB-UHFFFAOYSA-N 0 0 311.341 4.174 50 5 DIBARN C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnccn1 ZINC000187647857 332980296 /nfs/dbraw/zinc/98/02/96/332980296.db2.gz FPTBNXHBUMSCDG-YRNVUSSQSA-N 0 0 324.365 4.069 50 5 DIBARN CCCCN(CCCC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002172197 336221068 /nfs/dbraw/zinc/22/10/68/336221068.db2.gz YGCYEJGHLJMJJF-UHFFFAOYSA-N 0 0 307.394 4.337 50 5 DIBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000000109091 563543190 /nfs/dbraw/zinc/54/31/90/563543190.db2.gz SRXOFLCHVCMEAH-UHFFFAOYSA-N 0 0 305.746 4.276 50 5 DIBARN O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1N1CCCCC1 ZINC000004336272 563358361 /nfs/dbraw/zinc/35/83/61/563358361.db2.gz RHRNOUBPFGOURN-UHFFFAOYSA-N 0 0 305.765 4.029 50 5 DIBARN O=[N+]([O-])c1ccc2onc(-c3ccc(Br)cc3)c2c1 ZINC000000311910 563447514 /nfs/dbraw/zinc/44/75/14/563447514.db2.gz JLIVPFKUSQQOIK-UHFFFAOYSA-N 0 0 319.114 4.166 50 5 DIBARN CN1c2ccccc2C(C)(C)[C@]12C=Cc1ccc([N+](=O)[O-])cc1O2 ZINC000006709019 563450378 /nfs/dbraw/zinc/45/03/78/563450378.db2.gz AEUPYUQQBBOQTL-LJQANCHMSA-N 0 0 322.364 4.124 50 5 DIBARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000047946 563508502 /nfs/dbraw/zinc/50/85/02/563508502.db2.gz FAVDDVFCEHOGER-WQVCFCJDSA-N 0 0 305.374 4.212 50 5 DIBARN CC1(C)C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000000042819 563509485 /nfs/dbraw/zinc/50/94/85/563509485.db2.gz DQSMZCRNWAFLGI-GFCCVEGCSA-N 0 0 318.398 4.391 50 5 DIBARN Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000000102104 563543348 /nfs/dbraw/zinc/54/33/48/563543348.db2.gz DRTOLWGEDZZUEA-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Nc1ccccc1S[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000100424 563543479 /nfs/dbraw/zinc/54/34/79/563543479.db2.gz JCGLEEOULWYJGV-AWEZNQCLSA-N 0 0 308.790 4.032 50 5 DIBARN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000014138730 563560154 /nfs/dbraw/zinc/56/01/54/563560154.db2.gz WCOYDSHIIMUTMK-UHFFFAOYSA-N 0 0 312.350 4.086 50 5 DIBARN O=[N+]([O-])c1cc(Br)c(F)cc1NC1CCCCC1 ZINC000085477079 563569789 /nfs/dbraw/zinc/56/97/89/563569789.db2.gz YTSKGXPDJMHEHH-UHFFFAOYSA-N 0 0 317.158 4.241 50 5 DIBARN CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000111929 563570431 /nfs/dbraw/zinc/57/04/31/563570431.db2.gz VPLNGJNZSRWNGF-UHFFFAOYSA-N 0 0 301.390 4.376 50 5 DIBARN O=C(/C=C/c1ccccc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000000122037 563571274 /nfs/dbraw/zinc/57/12/74/563571274.db2.gz PTUZGVGGQPKWQM-RMKNXTFCSA-N 0 0 317.728 4.005 50 5 DIBARN CCc1cccc(CC)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000145161 563572808 /nfs/dbraw/zinc/57/28/08/563572808.db2.gz MJNVIVKNJZBXLW-VAWYXSNFSA-N 0 0 324.380 4.372 50 5 DIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000000305890 563586641 /nfs/dbraw/zinc/58/66/41/563586641.db2.gz YJPGYJFIVOSJSU-UHFFFAOYSA-N 0 0 307.305 4.105 50 5 DIBARN O=[N+]([O-])c1ccc(-c2noc(CCC3CCCCC3)n2)cc1 ZINC000000310934 563587803 /nfs/dbraw/zinc/58/78/03/563587803.db2.gz FCLOQBXXSVIUJA-UHFFFAOYSA-N 0 0 301.346 4.158 50 5 DIBARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 ZINC000000325111 563588631 /nfs/dbraw/zinc/58/86/31/563588631.db2.gz UNRCHVDLUCDXLX-UHFFFAOYSA-N 0 0 313.353 4.420 50 5 DIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000361397 563590749 /nfs/dbraw/zinc/59/07/49/563590749.db2.gz YZXYULSZFMEWPR-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC000004978499 563595079 /nfs/dbraw/zinc/59/50/79/563595079.db2.gz WLMPLRZXYPAGIS-AWEZNQCLSA-N 0 0 324.380 4.062 50 5 DIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000438676 563613687 /nfs/dbraw/zinc/61/36/87/563613687.db2.gz CRCSANLRKXGLFO-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000000444166 563614267 /nfs/dbraw/zinc/61/42/67/563614267.db2.gz MEORFLZLMYGJFW-UHFFFAOYSA-N 0 0 310.284 4.139 50 5 DIBARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000443491 563614307 /nfs/dbraw/zinc/61/43/07/563614307.db2.gz LDYNFZCTVFQYSI-FPYGCLRLSA-N 0 0 320.707 4.039 50 5 DIBARN CC(C)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000443692 563614553 /nfs/dbraw/zinc/61/45/53/563614553.db2.gz NZFCCMRGPQTGQP-LFYBBSHMSA-N 0 0 310.353 4.370 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(Cl)=C/c1ccccc1 ZINC000000456195 563614983 /nfs/dbraw/zinc/61/49/83/563614983.db2.gz HDAIMHGMIZWUQJ-ZROIWOOFSA-N 0 0 316.744 4.122 50 5 DIBARN O=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000000453603 563615633 /nfs/dbraw/zinc/61/56/33/563615633.db2.gz SCYFBOAJMOUKTN-UHFFFAOYSA-N 0 0 307.305 4.140 50 5 DIBARN Cc1c2ccccc2oc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000459133 563615856 /nfs/dbraw/zinc/61/58/56/563615856.db2.gz APPDNPYAIPGXCQ-UHFFFAOYSA-N 0 0 310.309 4.210 50 5 DIBARN CCCc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000024501246 563668433 /nfs/dbraw/zinc/66/84/33/563668433.db2.gz KEZKVCDKOHOXLH-UHFFFAOYSA-N 0 0 318.760 4.453 50 5 DIBARN O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000048051120 563692389 /nfs/dbraw/zinc/69/23/89/563692389.db2.gz CAUSITHNFSSYFB-UHFFFAOYSA-N 0 0 321.336 4.070 50 5 DIBARN Cc1ccc2c(CC(=O)Nc3cccc([N+](=O)[O-])c3)coc2c1C ZINC000001051018 563787443 /nfs/dbraw/zinc/78/74/43/563787443.db2.gz DPURVTCUGYDKGH-UHFFFAOYSA-N 0 0 324.336 4.139 50 5 DIBARN Cc1nnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC000025512886 563788878 /nfs/dbraw/zinc/78/88/78/563788878.db2.gz PYSRZDRUDGAYLE-UHFFFAOYSA-N 0 0 315.716 4.292 50 5 DIBARN CC[C@@H](C)N(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H](C)CC ZINC000001116842 563789035 /nfs/dbraw/zinc/78/90/35/563789035.db2.gz PLZBCQGFQYMMPW-SNESEAJLSA-N 0 0 304.390 4.034 50 5 DIBARN CCSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000001117436 563789052 /nfs/dbraw/zinc/78/90/52/563789052.db2.gz BFPCDSCJSCOBCR-UHFFFAOYSA-N 0 0 316.382 4.268 50 5 DIBARN Cc1ccc([N+](=O)[O-])c(OCc2cc(F)cc3cccnc32)c1 ZINC000031617032 563796296 /nfs/dbraw/zinc/79/62/96/563796296.db2.gz QEDRENVKMINMPD-UHFFFAOYSA-N 0 0 312.300 4.170 50 5 DIBARN CC(C)Nc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000012567802 563802034 /nfs/dbraw/zinc/80/20/34/563802034.db2.gz HBYRLEZYAAEVJS-VIFPVBQESA-N 0 0 324.431 4.120 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000001382877 563814570 /nfs/dbraw/zinc/81/45/70/563814570.db2.gz LZWKQUDNLNFCRK-LSDHHAIUSA-N 0 0 301.729 4.235 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(Cl)cc1 ZINC000001640304 563863797 /nfs/dbraw/zinc/86/37/97/563863797.db2.gz WHKATFPVQCXRBL-UHFFFAOYSA-N 0 0 306.705 4.168 50 5 DIBARN CC(C)c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000013017565 563876541 /nfs/dbraw/zinc/87/65/41/563876541.db2.gz VWQHTOXVNZTMAF-UHFFFAOYSA-N 0 0 311.385 4.282 50 5 DIBARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000001752978 563877661 /nfs/dbraw/zinc/87/76/61/563877661.db2.gz SYOUDUPQOFSHQM-UHFFFAOYSA-N 0 0 323.711 4.340 50 5 DIBARN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000013233969 563929363 /nfs/dbraw/zinc/92/93/63/563929363.db2.gz GKUYSMAHFFSILG-UHFFFAOYSA-N 0 0 311.366 4.277 50 5 DIBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000002544914 563938561 /nfs/dbraw/zinc/93/85/61/563938561.db2.gz QTTVPFXKYNQUCA-UHFFFAOYSA-N 0 0 305.717 4.084 50 5 DIBARN CCc1cccc(C)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648363 563940005 /nfs/dbraw/zinc/94/00/05/563940005.db2.gz QFHOSLOIPQNIGC-ZDUSSCGKSA-N 0 0 312.369 4.208 50 5 DIBARN CCCCN(CCCC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002745078 563940544 /nfs/dbraw/zinc/94/05/44/563940544.db2.gz KEUNYFUIFGHDNH-UHFFFAOYSA-N 0 0 312.797 4.291 50 5 DIBARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000002856066 563940885 /nfs/dbraw/zinc/94/08/85/563940885.db2.gz VVWLVCQSVOLRER-UHFFFAOYSA-N 0 0 324.258 4.174 50 5 DIBARN O=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000002890528 563941097 /nfs/dbraw/zinc/94/10/97/563941097.db2.gz SLHWAGFVTGZGPQ-UHFFFAOYSA-N 0 0 316.363 4.168 50 5 DIBARN CC(C)(C)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003080864 563941940 /nfs/dbraw/zinc/94/19/40/563941940.db2.gz ZRBVEFMUUZWOSD-CABCVRRESA-N 0 0 305.374 4.357 50 5 DIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc21 ZINC000003149714 563942471 /nfs/dbraw/zinc/94/24/71/563942471.db2.gz TYWRJUHIGVOSON-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008063931 563946492 /nfs/dbraw/zinc/94/64/92/563946492.db2.gz BJKQAWGYISSNNZ-UHFFFAOYSA-N 0 0 320.732 4.153 50 5 DIBARN Cc1noc(-c2ccc(N[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008587112 563949278 /nfs/dbraw/zinc/94/92/78/563949278.db2.gz CDEQFYSMVPLUJL-LLVKDONJSA-N 0 0 324.340 4.126 50 5 DIBARN O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 ZINC000039931439 563951334 /nfs/dbraw/zinc/95/13/34/563951334.db2.gz NDDZNNMXFDUKKZ-ROUUACIJSA-N 0 0 321.380 4.378 50 5 DIBARN Cc1[nH]c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2c1C ZINC000009551732 563956755 /nfs/dbraw/zinc/95/67/55/563956755.db2.gz VTHMBJUCPYPIII-UHFFFAOYSA-N 0 0 324.336 4.050 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cccs3)nc2c1 ZINC000051123212 1037807263 /nfs/dbraw/zinc/80/72/63/1037807263.db2.gz NKCGWTUQOXUDBF-JXMROGBWSA-N 0 0 305.746 4.270 50 5 DIBARN CC(C)N(Cc1ccccc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000463578 1040115453 /nfs/dbraw/zinc/11/54/53/1040115453.db2.gz ZFQPVSFXDMURIG-OUKQBFOZSA-N 0 0 324.380 4.045 50 5 DIBARN CCOc1nc(-c2ccccc2)c([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000000431616 1047338575 /nfs/dbraw/zinc/33/85/75/1047338575.db2.gz JTCXJFHMUVKKBB-UHFFFAOYSA-N 0 0 321.336 4.118 50 5 DIBARN O=[N+]([O-])c1cc(F)cc(Cl)c1OC(Cl)(Cl)Cl ZINC000095215698 1051937735 /nfs/dbraw/zinc/93/77/35/1051937735.db2.gz OWJGXYSQCLSHMH-UHFFFAOYSA-N 0 0 308.907 4.094 50 5 DIBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F ZINC000033632474 1052834871 /nfs/dbraw/zinc/83/48/71/1052834871.db2.gz ZURQVSSIYQAWCE-DAXSKMNVSA-N 0 0 320.707 4.039 50 5 DIBARN CC(C)COc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000095494769 185373901 /nfs/dbraw/zinc/37/39/01/185373901.db2.gz FYHHPPAZEKVUQM-UHFFFAOYSA-N 0 0 308.559 4.046 50 5 DIBARN CCC[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000079101685 185158247 /nfs/dbraw/zinc/15/82/47/185158247.db2.gz JFFVXKYVCFFKGQ-ZDUSSCGKSA-N 0 0 307.300 4.221 50 5 DIBARN COc1cc(N[C@@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1F ZINC000079099360 185158361 /nfs/dbraw/zinc/15/83/61/185158361.db2.gz IWICGMBATBXEFT-VIFPVBQESA-N 0 0 308.309 4.125 50 5 DIBARN COc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc21 ZINC000005013717 190620644 /nfs/dbraw/zinc/62/06/44/190620644.db2.gz FCZIORNWMRUDPQ-PKNBQFBNSA-N 0 0 306.321 4.322 50 5 DIBARN CC(=O)CCc1oc2c(cccc2[N+](=O)[O-])c1-c1ccc(C)o1 ZINC000000089024 180688840 /nfs/dbraw/zinc/68/88/40/180688840.db2.gz QJKSAUHVJSTFEV-UHFFFAOYSA-N 0 0 313.309 4.431 50 5 DIBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000103153 180693998 /nfs/dbraw/zinc/69/39/98/180693998.db2.gz KKAHDEOCPBDOEN-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1 ZINC000000103548 180694076 /nfs/dbraw/zinc/69/40/76/180694076.db2.gz QLARABZDRDELKD-INIZCTEOSA-N 0 0 317.728 4.100 50 5 DIBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc21)C1CCCCC1 ZINC000000112162 180696621 /nfs/dbraw/zinc/69/66/21/180696621.db2.gz HNVRZYAIIQZCJG-UHFFFAOYSA-N 0 0 322.360 4.432 50 5 DIBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000290580 180749515 /nfs/dbraw/zinc/74/95/15/180749515.db2.gz PTDQYTKRROYGCL-UHFFFAOYSA-N 0 0 311.124 4.154 50 5 DIBARN Cc1cc(Br)ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000000295109 180750464 /nfs/dbraw/zinc/75/04/64/180750464.db2.gz DKFVROOAPDGRKX-UHFFFAOYSA-N 0 0 321.174 4.278 50 5 DIBARN O=[N+]([O-])c1ccc(-c2cn(C(F)F)c(SC(F)F)n2)cc1 ZINC000000314580 180756867 /nfs/dbraw/zinc/75/68/67/180756867.db2.gz SJBKYBYSVFKXBT-UHFFFAOYSA-N 0 0 321.255 4.168 50 5 DIBARN O=c1c2ccc(Cl)c3cccc(c4nc5ccccc5n41)c32 ZINC000000354942 180765369 /nfs/dbraw/zinc/76/53/69/180765369.db2.gz CAEWXTPVEDSGND-UHFFFAOYSA-N 0 0 304.736 4.245 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000000439062 180791170 /nfs/dbraw/zinc/79/11/70/180791170.db2.gz GTRKESNGMKEOAW-UHFFFAOYSA-N 0 0 306.321 4.309 50 5 DIBARN O=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000458274 180797569 /nfs/dbraw/zinc/79/75/69/180797569.db2.gz HOFFVSZCHNWCCW-UHFFFAOYSA-N 0 0 318.760 4.210 50 5 DIBARN Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000001206650 180849196 /nfs/dbraw/zinc/84/91/96/180849196.db2.gz MDGZVWDQWXZHFS-UHFFFAOYSA-N 0 0 317.395 4.079 50 5 DIBARN Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000002566382 180935583 /nfs/dbraw/zinc/93/55/83/180935583.db2.gz XWEFKBSPAWZKRD-UHFFFAOYSA-N 0 0 318.760 4.242 50 5 DIBARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000003553855 181033784 /nfs/dbraw/zinc/03/37/84/181033784.db2.gz DJPFQYISEFNTHF-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000003556467 181034001 /nfs/dbraw/zinc/03/40/01/181034001.db2.gz ZMVNJMOPMRGFIS-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000004124001 181076734 /nfs/dbraw/zinc/07/67/34/181076734.db2.gz YCIPHVZILGQGFF-SOFGYWHQSA-N 0 0 322.320 4.028 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccccc1 ZINC000004740510 181145383 /nfs/dbraw/zinc/14/53/83/181145383.db2.gz AOPAYODOJOVITA-UHFFFAOYSA-N 0 0 316.382 4.024 50 5 DIBARN Cc1ccc(NC(=O)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004799775 181153094 /nfs/dbraw/zinc/15/30/94/181153094.db2.gz XZVYEJRDKUFVDX-UHFFFAOYSA-N 0 0 306.705 4.168 50 5 DIBARN O=C(Nc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004799018 181153377 /nfs/dbraw/zinc/15/33/77/181153377.db2.gz XYOYQZUFHMLSGW-UHFFFAOYSA-N 0 0 309.684 4.031 50 5 DIBARN O=[N+]([O-])c1c(Cl)c(Cl)c([N+](=O)[O-])c(Cl)c1Cl ZINC000004811715 181155009 /nfs/dbraw/zinc/15/50/09/181155009.db2.gz BILGRKOXNIFEIW-UHFFFAOYSA-N 0 0 305.888 4.117 50 5 DIBARN Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1 ZINC000004994773 181187205 /nfs/dbraw/zinc/18/72/05/181187205.db2.gz XYXAGRIXTVHCNT-UHFFFAOYSA-N 0 0 324.296 4.103 50 5 DIBARN O=[N+]([O-])c1cc2c(cc1/C=C/c1ccc3ccccc3n1)OCO2 ZINC000004998951 181188271 /nfs/dbraw/zinc/18/82/71/181188271.db2.gz MDGCTGMONCSWEK-SOFGYWHQSA-N 0 0 320.304 4.042 50 5 DIBARN O=[N+]([O-])c1ccc(OCc2csc(-c3ccccc3)n2)cc1 ZINC000005106926 181204522 /nfs/dbraw/zinc/20/45/22/181204522.db2.gz ZFBBKIGDOQSZTB-UHFFFAOYSA-N 0 0 312.350 4.297 50 5 DIBARN COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000005130170 181208350 /nfs/dbraw/zinc/20/83/50/181208350.db2.gz UGALECXBZQNWRH-RUDMXATFSA-N 0 0 312.350 4.384 50 5 DIBARN C[C@@H]1CCc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)csc2C1 ZINC000005235401 181219482 /nfs/dbraw/zinc/21/94/82/181219482.db2.gz BUNVXMVVBSRHCT-SNVBAGLBSA-N 0 0 316.382 4.033 50 5 DIBARN CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005420956 181241171 /nfs/dbraw/zinc/24/11/71/181241171.db2.gz XOGLBFUDOWUBEC-LLVKDONJSA-N 0 0 312.797 4.194 50 5 DIBARN CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1C ZINC000005455591 181245825 /nfs/dbraw/zinc/24/58/25/181245825.db2.gz RORXCBGOPLYUIZ-UHFFFAOYSA-N 0 0 318.760 4.223 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4ccccc4)o3)nc2c1 ZINC000005626435 181265319 /nfs/dbraw/zinc/26/53/19/181265319.db2.gz PDSHZHQDUIRLNZ-UHFFFAOYSA-N 0 0 305.293 4.398 50 5 DIBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000005603680 181263040 /nfs/dbraw/zinc/26/30/40/181263040.db2.gz HPMDHXODEJYNJQ-IJLUTSLNSA-N 0 0 311.403 4.274 50 5 DIBARN CC(C)c1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006417215 181339799 /nfs/dbraw/zinc/33/97/99/181339799.db2.gz UFNMSHFHISTYOP-UHFFFAOYSA-N 0 0 312.369 4.403 50 5 DIBARN CCCc1cc(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000006757561 181384200 /nfs/dbraw/zinc/38/42/00/181384200.db2.gz KFTORVAXLCTQSP-UHFFFAOYSA-N 0 0 308.334 4.000 50 5 DIBARN Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1[N+](=O)[O-] ZINC000006796752 181390363 /nfs/dbraw/zinc/39/03/63/181390363.db2.gz CZHFKBKHPJXZJI-UHFFFAOYSA-N 0 0 324.380 4.354 50 5 DIBARN Cc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)o1 ZINC000218426928 201538690 /nfs/dbraw/zinc/53/86/90/201538690.db2.gz NOWZORLZDIIAKS-UHFFFAOYSA-N 0 0 305.293 4.131 50 5 DIBARN CCCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261493538 203073843 /nfs/dbraw/zinc/07/38/43/203073843.db2.gz DCYRTJHCMQPSOB-UHFFFAOYSA-N 0 0 314.769 4.400 50 5 DIBARN O=C(c1ccccc1)c1ccc(Oc2cccnc2)c([N+](=O)[O-])c1 ZINC000007902696 181505809 /nfs/dbraw/zinc/50/58/09/181505809.db2.gz FFSBREPPUQCFNP-UHFFFAOYSA-N 0 0 320.304 4.013 50 5 DIBARN C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000009882251 181644996 /nfs/dbraw/zinc/64/49/96/181644996.db2.gz GSIDBAQKUVYUEE-NSHDSACASA-N 0 0 318.354 4.497 50 5 DIBARN CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC ZINC000016226011 182037778 /nfs/dbraw/zinc/03/77/78/182037778.db2.gz SLRJBZHEEZKASA-PHIMTYICSA-N 0 0 312.797 4.287 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000017055893 182073566 /nfs/dbraw/zinc/07/35/66/182073566.db2.gz XRZZWHJXXFVHRR-UHFFFAOYSA-N 0 0 321.789 4.366 50 5 DIBARN O=c1oc2c3cc(Br)ccc3oc2c2ccccc12 ZINC000019941826 182168061 /nfs/dbraw/zinc/16/80/61/182168061.db2.gz CUWWVMZCOATNJZ-UHFFFAOYSA-N 0 0 315.122 4.455 50 5 DIBARN CC(C)c1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000020898139 182252240 /nfs/dbraw/zinc/25/22/40/182252240.db2.gz WOMJBAHUZVABIC-UHFFFAOYSA-N 0 0 316.361 4.123 50 5 DIBARN Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Br ZINC000034978321 182745967 /nfs/dbraw/zinc/74/59/67/182745967.db2.gz TUJRHXGHWFGQEE-UHFFFAOYSA-N 0 0 308.131 4.458 50 5 DIBARN Cc1cc2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000040072703 183031421 /nfs/dbraw/zinc/03/14/21/183031421.db2.gz ZONQXTAIBKXNKD-RMKNXTFCSA-N 0 0 321.336 4.036 50 5 DIBARN CCCCN(CCCC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000040095751 183034363 /nfs/dbraw/zinc/03/43/63/183034363.db2.gz VRSGCNTZPWTKRW-UHFFFAOYSA-N 0 0 307.394 4.337 50 5 DIBARN CCCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000043191154 183343412 /nfs/dbraw/zinc/34/34/12/183343412.db2.gz OYTBWLSRZUWMDX-UHFFFAOYSA-N 0 0 312.369 4.350 50 5 DIBARN Cc1cccc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000043191152 183343792 /nfs/dbraw/zinc/34/37/92/183343792.db2.gz MDBBLXJSDGIGQV-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=[N+]([O-])c1ccc(OCc2ccccc2)cc1/C=C\N1CCCC1 ZINC000063604051 184285760 /nfs/dbraw/zinc/28/57/60/184285760.db2.gz MGEKYRBCSOMJOW-RAXLEYEMSA-N 0 0 324.380 4.240 50 5 DIBARN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC000004978498 134466978 /nfs/dbraw/zinc/46/69/78/134466978.db2.gz WLMPLRZXYPAGIS-CQSZACIVSA-N 0 0 324.380 4.062 50 5 DIBARN Cc1ccc2nc3sc4ccc(Cl)cc4n3c(=O)c2c1 ZINC000000091457 563215679 /nfs/dbraw/zinc/21/56/79/563215679.db2.gz TTYUPEXUJISSGD-UHFFFAOYSA-N 0 0 300.770 4.024 50 5 DIBARN CC(=O)Oc1ccc2ccc3ccc(OC(C)=O)c4ccc1c2c34 ZINC000000225386 563231688 /nfs/dbraw/zinc/23/16/88/563231688.db2.gz WMHOXRSFTJIMTD-UHFFFAOYSA-N 0 0 318.328 4.435 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000071889265 563297160 /nfs/dbraw/zinc/29/71/60/563297160.db2.gz GWAOOOAHQRFAJR-MRXNPFEDSA-N 0 0 313.313 4.066 50 5 DIBARN Nc1cc(C(F)(F)F)cc2c1sc1nc3ccccc3n21 ZINC000005595256 563330689 /nfs/dbraw/zinc/33/06/89/563330689.db2.gz NJWIWKCRAFMKJV-UHFFFAOYSA-N 0 0 307.300 4.303 50 5 DIBARN O=[N+]([O-])c1ccc(OCc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000071912209 563338006 /nfs/dbraw/zinc/33/80/06/563338006.db2.gz PZGDNCSADHUCLJ-UHFFFAOYSA-N 0 0 315.222 4.332 50 5 DIBARN O=C(c1ccccc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000008186952 563344826 /nfs/dbraw/zinc/34/48/26/563344826.db2.gz UBZFUUKQGREVOG-UHFFFAOYSA-N 0 0 323.355 4.495 50 5 DIBARN Cc1ccc2c(c1)occ(/C=C\c1ccc([N+](=O)[O-])cc1)c2=O ZINC000097475235 563350863 /nfs/dbraw/zinc/35/08/63/563350863.db2.gz WYVBZQYWEMPBNN-UTCJRWHESA-N 0 0 307.305 4.180 50 5 DIBARN CC1(C)C[C@H](c2ccc([N+](=O)[O-])cc2)OC(c2ccccc2)=N1 ZINC000000033332 563506318 /nfs/dbraw/zinc/50/63/18/563506318.db2.gz FQMFOYPCVNLHPX-MRXNPFEDSA-N 0 0 310.353 4.282 50 5 DIBARN Cc1nnc(-c2ccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000097232151 563514498 /nfs/dbraw/zinc/51/44/98/563514498.db2.gz SBYMOPAZZFIUOD-NSHDSACASA-N 0 0 324.340 4.126 50 5 DIBARN CC(=O)Oc1cc(Sc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000000091976 563527561 /nfs/dbraw/zinc/52/75/61/563527561.db2.gz JJKIERMMCZQKFQ-UHFFFAOYSA-N 0 0 323.757 4.325 50 5 DIBARN Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000000092861 563527700 /nfs/dbraw/zinc/52/77/00/563527700.db2.gz ZPEJDMGHIQTKJH-UHFFFAOYSA-N 0 0 313.140 4.184 50 5 DIBARN Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000000102829 563543301 /nfs/dbraw/zinc/54/33/01/563543301.db2.gz RKMRFSCINPJFNP-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN Nc1ccc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000000103669 563543505 /nfs/dbraw/zinc/54/35/05/563543505.db2.gz XZAZAEUKZVAXCB-CQSZACIVSA-N 0 0 308.790 4.032 50 5 DIBARN CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000127344 563571449 /nfs/dbraw/zinc/57/14/49/563571449.db2.gz UXBLPOMKLGLLBB-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000000133729 563572041 /nfs/dbraw/zinc/57/20/41/563572041.db2.gz MKSVXTNTHLPRBS-UHFFFAOYSA-N 0 0 318.760 4.426 50 5 DIBARN CCC(=O)Nc1cc(Oc2cccc(C)c2)cc([N+](=O)[O-])c1 ZINC000000255385 563582514 /nfs/dbraw/zinc/58/25/14/563582514.db2.gz LTDJRAGJAIMMAV-UHFFFAOYSA-N 0 0 300.314 4.044 50 5 DIBARN Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000296256 563584749 /nfs/dbraw/zinc/58/47/49/563584749.db2.gz FXZSDIWKJXJIKS-UHFFFAOYSA-N 0 0 304.733 4.117 50 5 DIBARN O=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000310612 563587422 /nfs/dbraw/zinc/58/74/22/563587422.db2.gz ARYWIQAQYGRKJY-UHFFFAOYSA-N 0 0 311.215 4.218 50 5 DIBARN O=[N+]([O-])c1ccc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)O2)cc1 ZINC000000310342 563587776 /nfs/dbraw/zinc/58/77/76/563587776.db2.gz HQVSKFNVPCFKKI-LSDHHAIUSA-N 0 0 305.717 4.035 50 5 DIBARN O=C(Nc1cc2c(ccc3ccccc32)oc1=O)C1CCCCC1 ZINC000000381542 563591420 /nfs/dbraw/zinc/59/14/20/563591420.db2.gz QGHJXWLSHCWUMJ-UHFFFAOYSA-N 0 0 321.376 4.465 50 5 DIBARN O=[N+]([O-])c1ccc(Oc2ccc3nsnc3c2)c(Cl)c1 ZINC000033460197 563592406 /nfs/dbraw/zinc/59/24/06/563592406.db2.gz UWPOLQBSRPERQA-UHFFFAOYSA-N 0 0 307.718 4.045 50 5 DIBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2c(ccc3ccccc32)N1 ZINC000000427716 563611643 /nfs/dbraw/zinc/61/16/43/563611643.db2.gz RORWKCQVUIVESP-HNNXBMFYSA-N 0 0 318.332 4.222 50 5 DIBARN O=C(CCNc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000449916 563615141 /nfs/dbraw/zinc/61/51/41/563615141.db2.gz YEMDWTQRVPXBDQ-UHFFFAOYSA-N 0 0 320.348 4.433 50 5 DIBARN CCc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000474238 563624231 /nfs/dbraw/zinc/62/42/31/563624231.db2.gz XPKDLKIXDSQSHJ-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(C)cc1 ZINC000000481360 563637126 /nfs/dbraw/zinc/63/71/26/563637126.db2.gz RZJHHWLTDVBHAV-UHFFFAOYSA-N 0 0 305.403 4.223 50 5 DIBARN Cc1cc(C(=O)OCc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000000515397 563661247 /nfs/dbraw/zinc/66/12/47/563661247.db2.gz NYYNCVFSDOUKCA-UHFFFAOYSA-N 0 0 321.332 4.413 50 5 DIBARN CSc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000563639 563670739 /nfs/dbraw/zinc/67/07/39/563670739.db2.gz RHQAGHBZTNCYNE-UHFFFAOYSA-N 0 0 322.773 4.222 50 5 DIBARN C[C@@H](OC(=O)c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000048314633 563695745 /nfs/dbraw/zinc/69/57/45/563695745.db2.gz CTKTWVOUEZBZJT-GFCCVEGCSA-N 0 0 324.336 4.005 50 5 DIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000000859074 563772277 /nfs/dbraw/zinc/77/22/77/563772277.db2.gz YFMXXVZLCOYDJR-KRXBUXKQSA-N 0 0 320.707 4.039 50 5 DIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1C(C)C ZINC000052979276 563811411 /nfs/dbraw/zinc/81/14/11/563811411.db2.gz RCZPSBOFJMONAL-UHFFFAOYSA-N 0 0 320.370 4.041 50 5 DIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000001382879 563814446 /nfs/dbraw/zinc/81/44/46/563814446.db2.gz LZWKQUDNLNFCRK-GJZGRUSLSA-N 0 0 301.729 4.235 50 5 DIBARN O=[N+]([O-])c1ccc(N[C@@H](Cc2ccccc2)c2ccccc2)nc1 ZINC000012927955 563854708 /nfs/dbraw/zinc/85/47/08/563854708.db2.gz VOYNSOWHEYVPRX-SFHVURJKSA-N 0 0 319.364 4.386 50 5 DIBARN Cc1cccc(C(=O)N2CCC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000075106166 563859663 /nfs/dbraw/zinc/85/96/63/563859663.db2.gz UKWJEKVYBJJPGU-UHFFFAOYSA-N 0 0 316.401 4.090 50 5 DIBARN Cc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccc(Cl)cc1 ZINC000001796520 563878715 /nfs/dbraw/zinc/87/87/15/563878715.db2.gz CDGIPMGXUYMVCT-UHFFFAOYSA-N 0 0 302.717 4.206 50 5 DIBARN O=[N+]([O-])c1cccnc1Nc1cccc(Nc2ccccc2)c1 ZINC000007186594 563904334 /nfs/dbraw/zinc/90/43/34/563904334.db2.gz FXLTWZWCYWZEEV-UHFFFAOYSA-N 0 0 306.325 4.477 50 5 DIBARN O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000089874889 563911990 /nfs/dbraw/zinc/91/19/90/563911990.db2.gz SXEYBOOVARTJQO-MRXNPFEDSA-N 0 0 323.352 4.468 50 5 DIBARN Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007889365 563920137 /nfs/dbraw/zinc/92/01/37/563920137.db2.gz QHDPGILJKGJMKX-UHFFFAOYSA-N 0 0 321.336 4.012 50 5 DIBARN O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1F ZINC000139803599 563928727 /nfs/dbraw/zinc/92/87/27/563928727.db2.gz KSGUTOMEZLAMJZ-UHFFFAOYSA-N 0 0 320.629 4.468 50 5 DIBARN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002573546 563939332 /nfs/dbraw/zinc/93/93/32/563939332.db2.gz WHNHHTTVPIHDAM-UHFFFAOYSA-N 0 0 304.733 4.063 50 5 DIBARN Cc1nn(COc2ccccc2-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000002731891 563940513 /nfs/dbraw/zinc/94/05/13/563940513.db2.gz FURPLHVKTSQYGW-UHFFFAOYSA-N 0 0 323.352 4.112 50 5 DIBARN Cc1cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1C ZINC000003123106 563942239 /nfs/dbraw/zinc/94/22/39/563942239.db2.gz UKZWBYHTAAEFIB-UHFFFAOYSA-N 0 0 302.286 4.221 50 5 DIBARN Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003149188 563942497 /nfs/dbraw/zinc/94/24/97/563942497.db2.gz MECAQYZSUOTYTD-UHFFFAOYSA-N 0 0 313.353 4.420 50 5 DIBARN O=[N+]([O-])c1ccc(N2COc3ccc4ccccc4c3C2)cc1 ZINC000003892247 563944555 /nfs/dbraw/zinc/94/45/55/563944555.db2.gz RHTOWZJXOHGMDL-UHFFFAOYSA-N 0 0 306.321 4.105 50 5 DIBARN Cc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1[N+](=O)[O-] ZINC000008297576 563947693 /nfs/dbraw/zinc/94/76/93/563947693.db2.gz YELBEAWEMOSATA-UHFFFAOYSA-N 0 0 312.350 4.399 50 5 DIBARN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010288657 563958503 /nfs/dbraw/zinc/95/85/03/563958503.db2.gz YQPFYNMPALQHKF-GFCCVEGCSA-N 0 0 314.341 4.024 50 5 DIBARN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000002173461 568420985 /nfs/dbraw/zinc/42/09/85/568420985.db2.gz JJOKSIVIQACHPZ-UHFFFAOYSA-N 0 0 310.718 4.308 50 5 DIBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccccc3F)nc2c1 ZINC000050647633 1037398535 /nfs/dbraw/zinc/39/85/35/1037398535.db2.gz PYUWCLLXMVETTG-YRNVUSSQSA-N 0 0 317.707 4.347 50 5 DIBARN Cc1ccc(S/C=C2\OC(=O)c3cccc([N+](=O)[O-])c32)cc1 ZINC000210987885 1039843273 /nfs/dbraw/zinc/84/32/73/1039843273.db2.gz YUPYCTWLJKIDSP-ZROIWOOFSA-N 0 0 313.334 4.164 50 5 DIBARN CCCC[C@H](CC)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002086310 1040089325 /nfs/dbraw/zinc/08/93/25/1040089325.db2.gz XZMGOHTXPMGWMX-NSHDSACASA-N 0 0 312.797 4.194 50 5 DIBARN CCCCN(CCCC)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002082439 1040089353 /nfs/dbraw/zinc/08/93/53/1040089353.db2.gz YXYKZYIDUAHCMZ-UHFFFAOYSA-N 0 0 312.797 4.291 50 5 DIBARN CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002086309 1040091580 /nfs/dbraw/zinc/09/15/80/1040091580.db2.gz XZMGOHTXPMGWMX-LLVKDONJSA-N 0 0 312.797 4.194 50 5 DIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)cc1 ZINC000015215917 1042499979 /nfs/dbraw/zinc/49/99/79/1042499979.db2.gz LUUCBWRSWAJJLL-UHFFFAOYSA-N 0 0 301.685 4.225 50 5 DIBARN COc1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1O ZINC000008321787 1044725165 /nfs/dbraw/zinc/72/51/65/1044725165.db2.gz IFNXODCXDUWXNA-FNORWQNLSA-N 0 0 322.320 4.028 50 5 DIBARN O=C(/C=C\c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000033825411 1055876013 /nfs/dbraw/zinc/87/60/13/1055876013.db2.gz FNKRQEVBEJSNTA-FPLPWBNLSA-N 0 0 317.728 4.005 50 5 DIBARN