smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001599408753 997382578 /nfs/dbraw/zinc/38/25/78/997382578.db2.gz NGHPILYAYLGEGZ-VFZGTOFNSA-N -1 3 326.324 2.285 20 5 EEBDHM COc1cc(C[NH2+]CCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1[O-] ZINC000426686856 241324524 /nfs/dbraw/zinc/32/45/24/241324524.db2.gz ONLNSTGWXMKZBA-UHFFFAOYSA-N -1 3 346.339 2.340 20 5 EEBDHM CCc1nc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000102413586 204037675 /nfs/dbraw/zinc/03/76/75/204037675.db2.gz IHBUKFQZLOVHBN-UHFFFAOYSA-N -1 3 341.414 2.135 20 5 EEBDHM O=C([N-]N1CCCCC1=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000102642154 204044819 /nfs/dbraw/zinc/04/48/19/204044819.db2.gz LHDMGVDJBLYDTF-UHFFFAOYSA-N -1 3 346.387 2.242 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000175828553 207162443 /nfs/dbraw/zinc/16/24/43/207162443.db2.gz KBMACBIUINYXDE-UHFFFAOYSA-N -1 3 328.390 2.318 20 5 EEBDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190186905 533264146 /nfs/dbraw/zinc/26/41/46/533264146.db2.gz YCKNPNVRUKJGPQ-RYUDHWBXSA-N -1 3 328.390 2.057 20 5 EEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000185699889 160045764 /nfs/dbraw/zinc/04/57/64/160045764.db2.gz GNIBSTGKGAXPAF-UHFFFAOYSA-N -1 3 347.352 2.356 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c(F)c1 ZINC000186378698 160069040 /nfs/dbraw/zinc/06/90/40/160069040.db2.gz ICNNPMLUKMCKKN-UHFFFAOYSA-N -1 3 336.344 2.180 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000190081411 160154831 /nfs/dbraw/zinc/15/48/31/160154831.db2.gz MRFLDJHYRSFUNA-LBPRGKRZSA-N -1 3 344.433 2.287 20 5 EEBDHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000192885776 160175625 /nfs/dbraw/zinc/17/56/25/160175625.db2.gz SBGVNRKHBMYEAW-UHFFFAOYSA-N -1 3 325.284 2.338 20 5 EEBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCOCC1 ZINC000342523261 161071766 /nfs/dbraw/zinc/07/17/66/161071766.db2.gz HWHDENSVDWYDQJ-UHFFFAOYSA-N -1 3 334.419 2.202 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCOC2)cc1C ZINC000355715253 163278609 /nfs/dbraw/zinc/27/86/09/163278609.db2.gz QBPQWLYGHDTFOM-CHWSQXEVSA-N -1 3 342.417 2.305 20 5 EEBDHM CC(C)COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000275125194 269096644 /nfs/dbraw/zinc/09/66/44/269096644.db2.gz MXGUVABRGSQDSP-UHFFFAOYSA-N -1 3 332.316 2.378 20 5 EEBDHM COc1cc(CN[C@@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1[O-] ZINC000188943848 274034223 /nfs/dbraw/zinc/03/42/23/274034223.db2.gz HFPFDELGQUCUNU-OAHLLOKOSA-N -1 3 346.383 2.311 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000275100890 274222574 /nfs/dbraw/zinc/22/25/74/274222574.db2.gz TVZNZAUBNKHNAT-GZMMTYOYSA-N -1 3 332.353 2.209 20 5 EEBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285507659 274743861 /nfs/dbraw/zinc/74/38/61/274743861.db2.gz FSCPEECXYOLKSA-UWVGGRQHSA-N -1 3 348.808 2.199 20 5 EEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2ncc(C(C)(C)O)s2)c1[N+](=O)[O-] ZINC000290633225 275224465 /nfs/dbraw/zinc/22/44/65/275224465.db2.gz VEIXSEZIZUTUPU-UHFFFAOYSA-N -1 3 339.377 2.378 20 5 EEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000291994403 275361765 /nfs/dbraw/zinc/36/17/65/275361765.db2.gz UFHFKNJCKGKITE-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360010774 293703780 /nfs/dbraw/zinc/70/37/80/293703780.db2.gz JOEFGKOWDKXVFS-QWHCGFSZSA-N -1 3 342.417 2.305 20 5 EEBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000297256961 294194172 /nfs/dbraw/zinc/19/41/72/294194172.db2.gz YNDJBLSXYYBGGJ-UHFFFAOYSA-N -1 3 348.808 2.486 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c1C ZINC000156347316 301861060 /nfs/dbraw/zinc/86/10/60/301861060.db2.gz URLGUUZQXZGACZ-LBPRGKRZSA-N -1 3 342.417 2.448 20 5 EEBDHM COc1ccsc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000177562705 311436848 /nfs/dbraw/zinc/43/68/48/311436848.db2.gz OHICLOLOVSXTBV-UHFFFAOYSA-N -1 3 328.371 2.143 20 5 EEBDHM Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)n[n-]2)o1 ZINC000350910866 312351747 /nfs/dbraw/zinc/35/17/47/312351747.db2.gz QMDWUVITXNMKPY-UHFFFAOYSA-N -1 3 341.287 2.337 20 5 EEBDHM Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)[n-]n2)o1 ZINC000350910866 312351748 /nfs/dbraw/zinc/35/17/48/312351748.db2.gz QMDWUVITXNMKPY-UHFFFAOYSA-N -1 3 341.287 2.337 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)O2)c1C ZINC000416535702 313249196 /nfs/dbraw/zinc/24/91/96/313249196.db2.gz NIQAYZBREGQFPH-JQWIXIFHSA-N -1 3 328.390 2.057 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CS[C@H](C)C2)c1C ZINC000416590288 313267234 /nfs/dbraw/zinc/26/72/34/313267234.db2.gz NEQZMQQMNVPXLI-MWLCHTKSSA-N -1 3 330.431 2.384 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)c1C ZINC000416612997 313273869 /nfs/dbraw/zinc/27/38/69/313273869.db2.gz ZOVMJBPWOWFFHN-DRZSPHRISA-N -1 3 342.417 2.303 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2occc2C)cc1[N+](=O)[O-] ZINC000490339491 315796833 /nfs/dbraw/zinc/79/68/33/315796833.db2.gz UQIWTZKCSTWELC-UHFFFAOYSA-N -1 3 344.320 2.122 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000545934977 318234182 /nfs/dbraw/zinc/23/41/82/318234182.db2.gz WBGUSJKVMWPZBM-LLVKDONJSA-N -1 3 348.446 2.184 20 5 EEBDHM O=c1[n-]cnc2c1CCN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000566480826 319293834 /nfs/dbraw/zinc/29/38/34/319293834.db2.gz DRBRBBCMXWKEHV-UHFFFAOYSA-N -1 3 341.249 2.067 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]CCCOCC(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588887 468279080 /nfs/dbraw/zinc/27/90/80/468279080.db2.gz ALYXCDZICGUZCT-UHFFFAOYSA-N -1 3 348.396 2.383 20 5 EEBDHM Cc1c(C(=O)Nc2ccccc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000024493198 463088351 /nfs/dbraw/zinc/08/83/51/463088351.db2.gz AHLFSTDMYPJXSY-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000068940270 463194085 /nfs/dbraw/zinc/19/40/85/463194085.db2.gz ZJABUUKNPWTBDU-UHFFFAOYSA-N -1 3 328.371 2.014 20 5 EEBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000170940317 463749383 /nfs/dbraw/zinc/74/93/83/463749383.db2.gz PRGWTHGDMSGGAH-UHFFFAOYSA-N -1 3 346.286 2.491 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000276800962 463763574 /nfs/dbraw/zinc/76/35/74/463763574.db2.gz KQFRXBIVGDCJIN-CHWSQXEVSA-N -1 3 342.417 2.448 20 5 EEBDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000177913207 463813581 /nfs/dbraw/zinc/81/35/81/463813581.db2.gz XQIYRNXCFNEQDZ-CYBMUJFWSA-N -1 3 343.387 2.282 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CO)CCCC2)cc1C ZINC000178881511 464002002 /nfs/dbraw/zinc/00/20/02/464002002.db2.gz MKMRGACJVISLFG-UHFFFAOYSA-N -1 3 342.417 2.043 20 5 EEBDHM O=C([N-]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000263787909 464191039 /nfs/dbraw/zinc/19/10/39/464191039.db2.gz ZUZHQLIVEDCLCC-UHFFFAOYSA-N -1 3 327.209 2.407 20 5 EEBDHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000292837385 464358377 /nfs/dbraw/zinc/35/83/77/464358377.db2.gz PGTYIXRMJRENPY-UHFFFAOYSA-N -1 3 346.380 2.219 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCCO)c1C ZINC000295780937 464962116 /nfs/dbraw/zinc/96/21/16/464962116.db2.gz QOIAJIGJOZXRIX-LLVKDONJSA-N -1 3 330.406 2.041 20 5 EEBDHM CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccco1 ZINC000359538771 465440789 /nfs/dbraw/zinc/44/07/89/465440789.db2.gz NGCRIGFSGHQRTR-ZWNOBZJWSA-N -1 3 348.359 2.148 20 5 EEBDHM COc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000353848706 466198817 /nfs/dbraw/zinc/19/88/17/466198817.db2.gz BYHPBSZVDBREEK-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000353848706 466198823 /nfs/dbraw/zinc/19/88/23/466198823.db2.gz BYHPBSZVDBREEK-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000349959120 466328099 /nfs/dbraw/zinc/32/80/99/466328099.db2.gz CNRHHCBTSONOLD-UHFFFAOYSA-N -1 3 349.318 2.448 20 5 EEBDHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433081770 467290309 /nfs/dbraw/zinc/29/03/09/467290309.db2.gz HHCDJXUGBJBXRM-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000435228162 467452850 /nfs/dbraw/zinc/45/28/50/467452850.db2.gz XPNSGVAYYKXMDA-UHFFFAOYSA-N -1 3 335.385 2.209 20 5 EEBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(CC2CCC2)CC1 ZINC000436792985 467554520 /nfs/dbraw/zinc/55/45/20/467554520.db2.gz QCQJRPARMREUPR-UHFFFAOYSA-N -1 3 333.388 2.248 20 5 EEBDHM Cc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000438651925 467565665 /nfs/dbraw/zinc/56/56/65/467565665.db2.gz KHEOSGCUDGTOQL-UHFFFAOYSA-N -1 3 339.311 2.646 20 5 EEBDHM O=C(/C=C/c1cncc([O-])c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492477819 467649627 /nfs/dbraw/zinc/64/96/27/467649627.db2.gz WFYAHARROKGKRT-DAFODLJHSA-N -1 3 325.324 2.294 20 5 EEBDHM O=C([N-]c1nc(CN2CCCCC2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000516378328 468025298 /nfs/dbraw/zinc/02/52/98/468025298.db2.gz MLZLETXOYKKMSK-UHFFFAOYSA-N -1 3 336.377 2.013 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000592062476 468609235 /nfs/dbraw/zinc/60/92/35/468609235.db2.gz FUQMPRBDGHTVJL-VHSXEESVSA-N -1 3 332.353 2.162 20 5 EEBDHM O=C(Cc1cncc([O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000557658339 468644927 /nfs/dbraw/zinc/64/49/27/468644927.db2.gz VHYZDDXIAIIISD-UHFFFAOYSA-N -1 3 327.340 2.429 20 5 EEBDHM CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1N(C)C ZINC000571565421 468806753 /nfs/dbraw/zinc/80/67/53/468806753.db2.gz IJQLZBWSJLBBHI-CHWSQXEVSA-N -1 3 339.417 2.083 20 5 EEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000595363725 468826116 /nfs/dbraw/zinc/82/61/16/468826116.db2.gz ANPZNHHLTDGTRZ-CYBMUJFWSA-N -1 3 346.380 2.217 20 5 EEBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](N2CCCC2)C1 ZINC000572123700 468889486 /nfs/dbraw/zinc/88/94/86/468889486.db2.gz VMGPZNIFBGGMEW-NSHDSACASA-N -1 3 339.779 2.264 20 5 EEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc2c1COCC2 ZINC000598937812 469057408 /nfs/dbraw/zinc/05/74/08/469057408.db2.gz UGTDKXOULGBUER-UHFFFAOYSA-N -1 3 333.300 2.307 20 5 EEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599148907 469137765 /nfs/dbraw/zinc/13/77/65/469137765.db2.gz AZKUDUWLBGGONW-WDEREUQCSA-N -1 3 337.376 2.500 20 5 EEBDHM O=c1[n-]ccc(Nc2cccc(CN3CCOCC3)c2)c1[N+](=O)[O-] ZINC000596099716 469154855 /nfs/dbraw/zinc/15/48/55/469154855.db2.gz VZEIQOAKGBLNIE-UHFFFAOYSA-N -1 3 330.344 2.271 20 5 EEBDHM O=c1[n-]ccc(N2CCN(Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000596168147 469183909 /nfs/dbraw/zinc/18/39/09/469183909.db2.gz LKPYORURDMFSMR-UHFFFAOYSA-N -1 3 332.335 2.157 20 5 EEBDHM CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000596227249 469213057 /nfs/dbraw/zinc/21/30/57/469213057.db2.gz TYPCRHWKYSXUHG-CQSZACIVSA-N -1 3 328.372 2.059 20 5 EEBDHM CNc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000604490041 469482981 /nfs/dbraw/zinc/48/29/81/469482981.db2.gz WGBDGPXKJBDWAJ-UHFFFAOYSA-N -1 3 339.315 2.069 20 5 EEBDHM CNc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000604490041 469482985 /nfs/dbraw/zinc/48/29/85/469482985.db2.gz WGBDGPXKJBDWAJ-UHFFFAOYSA-N -1 3 339.315 2.069 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000619476056 469619338 /nfs/dbraw/zinc/61/93/38/469619338.db2.gz ZDWDKJHWGZCENG-UHFFFAOYSA-N -1 3 340.332 2.221 20 5 EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000738235998 578005429 /nfs/dbraw/zinc/00/54/29/578005429.db2.gz DTISPAXIRKJTAV-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000738314550 578009154 /nfs/dbraw/zinc/00/91/54/578009154.db2.gz VDUNYHJYCGVMQG-UHFFFAOYSA-N -1 3 346.690 2.428 20 5 EEBDHM O=Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000738314550 578009155 /nfs/dbraw/zinc/00/91/55/578009155.db2.gz VDUNYHJYCGVMQG-UHFFFAOYSA-N -1 3 346.690 2.428 20 5 EEBDHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000766891177 577526529 /nfs/dbraw/zinc/52/65/29/577526529.db2.gz AJQUHYZMUDDDEC-UHFFFAOYSA-N -1 3 338.345 2.046 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751435469 577752417 /nfs/dbraw/zinc/75/24/17/577752417.db2.gz KKRNVNQPRGWWKA-SNVBAGLBSA-N -1 3 342.398 2.058 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823635445 599048838 /nfs/dbraw/zinc/04/88/38/599048838.db2.gz WNGLIDVRDNJSGE-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC2(CCCCC2)C1 ZINC000823629771 599056548 /nfs/dbraw/zinc/05/65/48/599056548.db2.gz GYJMDXMPXZKQAV-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC2(CCCCC2)C1 ZINC000823629771 599056551 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EEBDHM O=[N+]([O-])c1cccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)c1 ZINC000823647225 607175965 /nfs/dbraw/zinc/17/59/65/607175965.db2.gz IBKAOPJJMVXOCK-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM CC(C)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824214932 608242389 /nfs/dbraw/zinc/24/23/89/608242389.db2.gz IKOJQQVTKVLLQW-BXUZGUMPSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824214932 608242391 /nfs/dbraw/zinc/24/23/91/608242391.db2.gz IKOJQQVTKVLLQW-BXUZGUMPSA-N -1 3 332.364 2.390 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNc1nccc(C)c1-c1nnn[n-]1 ZINC000826212421 609539003 /nfs/dbraw/zinc/53/90/03/609539003.db2.gz PKFUBMOBKOPLJQ-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNc1nccc(C)c1-c1nn[n-]n1 ZINC000826212421 609539004 /nfs/dbraw/zinc/53/90/04/609539004.db2.gz PKFUBMOBKOPLJQ-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM Cc1cccc(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC001059549481 686667796 /nfs/dbraw/zinc/66/77/96/686667796.db2.gz MNWYIPXXWXUVLK-BETUJISGSA-N -1 3 342.355 2.377 20 5 EEBDHM Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1Cl ZINC000125606436 693437855 /nfs/dbraw/zinc/43/78/55/693437855.db2.gz TZOPPJCBDNBGPQ-UHFFFAOYSA-N -1 3 342.764 2.257 20 5 EEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cccc2nn[n-]c21 ZINC000800207108 1202220520 /nfs/dbraw/zinc/22/05/20/1202220520.db2.gz OTEWRYJJPAGLDQ-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cccc2[n-]nnc21 ZINC000800207108 1202220521 /nfs/dbraw/zinc/22/05/21/1202220521.db2.gz OTEWRYJJPAGLDQ-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cccc2n[n-]nc21 ZINC000800207108 1202220522 /nfs/dbraw/zinc/22/05/22/1202220522.db2.gz OTEWRYJJPAGLDQ-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM CC(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097069091 1243652998 /nfs/dbraw/zinc/65/29/98/1243652998.db2.gz OUJSOKMXYFVQOY-XYPYZODXSA-N -1 3 336.392 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O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCSC2(CCC2)C1 ZINC001593470056 1349805527 /nfs/dbraw/zinc/80/55/27/1349805527.db2.gz DVFCXHRIYUJRCF-JTQLQIEISA-N -1 3 347.404 2.400 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCSC2(CCC2)C1 ZINC001593470056 1349805530 /nfs/dbraw/zinc/80/55/30/1349805530.db2.gz DVFCXHRIYUJRCF-JTQLQIEISA-N -1 3 347.404 2.400 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCc2sccc2C1 ZINC001593480334 1349812533 /nfs/dbraw/zinc/81/25/33/1349812533.db2.gz JTHGKLNQILSVQV-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCc2sccc2C1 ZINC001593480334 1349812537 /nfs/dbraw/zinc/81/25/37/1349812537.db2.gz JTHGKLNQILSVQV-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC001600106677 1349972256 /nfs/dbraw/zinc/97/22/56/1349972256.db2.gz JDTNWGYIMXYSGL-STQMWFEESA-N -1 3 334.376 2.425 20 5 EEBDHM Cn1nccc1C[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601037969 1350195844 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O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000067432475 463005593 /nfs/dbraw/zinc/00/55/93/463005593.db2.gz VIVUXFBQWPVNEM-UHFFFAOYSA-N -1 3 328.296 2.352 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000023393622 463065902 /nfs/dbraw/zinc/06/59/02/463065902.db2.gz PIMBATIXTYDKGI-UHFFFAOYSA-N -1 3 340.332 2.221 20 5 EEBDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055221783 463298355 /nfs/dbraw/zinc/29/83/55/463298355.db2.gz AMQUMAAZKBTVJC-UHFFFAOYSA-N -1 3 334.369 2.075 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000032405135 463374858 /nfs/dbraw/zinc/37/48/58/463374858.db2.gz SUHLVSFWWXWWTR-JTQLQIEISA-N -1 3 337.357 2.038 20 5 EEBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124729921 463458354 /nfs/dbraw/zinc/45/83/54/463458354.db2.gz SMVMKGHOOAIPLS-MWLCHTKSSA-N -1 3 334.419 2.201 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(F)c1 ZINC000287507687 463909538 /nfs/dbraw/zinc/90/95/38/463909538.db2.gz SGIRQXABZUPSTB-SECBINFHSA-N -1 3 334.394 2.155 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000175685579 464601661 /nfs/dbraw/zinc/60/16/61/464601661.db2.gz VYLPFKOBZQLJEL-ZDUSSCGKSA-N -1 3 328.390 2.460 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000192136748 464871844 /nfs/dbraw/zinc/87/18/44/464871844.db2.gz PJFGFFHHWBHTNT-UHFFFAOYSA-N -1 3 330.259 2.082 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000276360915 464903826 /nfs/dbraw/zinc/90/38/26/464903826.db2.gz MVZVQKBCMGBZNH-JTQLQIEISA-N -1 3 344.389 2.094 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c1[N+](=O)[O-] ZINC000358792759 465326097 /nfs/dbraw/zinc/32/60/97/465326097.db2.gz WAPIZTBOEZCIKQ-UHFFFAOYSA-N -1 3 337.357 2.421 20 5 EEBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2ccccn2)cc1 ZINC000340079508 465749460 /nfs/dbraw/zinc/74/94/60/465749460.db2.gz HACHELOWUVUIQH-UHFFFAOYSA-N -1 3 335.385 2.291 20 5 EEBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1[O-] ZINC000340330550 465995988 /nfs/dbraw/zinc/99/59/88/465995988.db2.gz KJOPSCIDESFIQE-UHFFFAOYSA-N -1 3 347.302 2.198 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000338433047 466123254 /nfs/dbraw/zinc/12/32/54/466123254.db2.gz UOICCTOOBMAKHA-LURJTMIESA-N -1 3 333.416 2.461 20 5 EEBDHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361915171 466402902 /nfs/dbraw/zinc/40/29/02/466402902.db2.gz HVXGAQRLWHNANQ-UHFFFAOYSA-N -1 3 342.311 2.075 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c2ncccc12 ZINC000361962594 466442668 /nfs/dbraw/zinc/44/26/68/466442668.db2.gz DSUFJHCNBPSMDP-UHFFFAOYSA-N -1 3 349.290 2.374 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1CSc1nc2nncc-2c(O)[n-]1 ZINC000429806328 467371570 /nfs/dbraw/zinc/37/15/70/467371570.db2.gz LCICYGVRNTZUJF-UHFFFAOYSA-N -1 3 333.329 2.268 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000486972820 468016076 /nfs/dbraw/zinc/01/60/76/468016076.db2.gz SNYGFKPRVSIMMX-GFCCVEGCSA-N -1 3 340.401 2.283 20 5 EEBDHM Cc1cc(CS(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC000490448258 468213601 /nfs/dbraw/zinc/21/36/01/468213601.db2.gz VAULTAIMYCBBMU-UHFFFAOYSA-N -1 3 339.373 2.246 20 5 EEBDHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NCCO ZINC000562450945 468961145 /nfs/dbraw/zinc/96/11/45/468961145.db2.gz RIYBYUFILQLFNV-GFCCVEGCSA-N -1 3 345.421 2.319 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664543 469084067 /nfs/dbraw/zinc/08/40/67/469084067.db2.gz SFXMPMKFLOPDPF-UHFFFAOYSA-N -1 3 326.374 2.214 20 5 EEBDHM Cc1ccc([C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])N2CCOCC2)o1 ZINC000596061541 469134402 /nfs/dbraw/zinc/13/44/02/469134402.db2.gz BFBRMPBBDYPERL-ZDUSSCGKSA-N -1 3 348.359 2.082 20 5 EEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000596270356 469228673 /nfs/dbraw/zinc/22/86/73/469228673.db2.gz FLURXMLIGGXFIH-ZDUSSCGKSA-N -1 3 328.372 2.406 20 5 EEBDHM CC[C@@]1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000616461307 469452966 /nfs/dbraw/zinc/45/29/66/469452966.db2.gz QVLVLLBGTCSRCC-CQSZACIVSA-N -1 3 328.390 2.059 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738251401 578006188 /nfs/dbraw/zinc/00/61/88/578006188.db2.gz NMVWJLUBQCZJBR-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738251401 578006189 /nfs/dbraw/zinc/00/61/89/578006189.db2.gz NMVWJLUBQCZJBR-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738358270 578010556 /nfs/dbraw/zinc/01/05/56/578010556.db2.gz DNHWMBOOVLWANI-UHFFFAOYSA-N -1 3 328.307 2.204 20 5 EEBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738358270 578010557 /nfs/dbraw/zinc/01/05/57/578010557.db2.gz DNHWMBOOVLWANI-UHFFFAOYSA-N -1 3 328.307 2.204 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738359033 578010610 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O=[N+]([O-])c1ccc(N2CCC[C@]3(CCCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639896 606143918 /nfs/dbraw/zinc/14/39/18/606143918.db2.gz LGMNUSCQRLJUCP-INIZCTEOSA-N -1 3 344.375 2.172 20 5 EEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000822649626 606245593 /nfs/dbraw/zinc/24/55/93/606245593.db2.gz GBRZTQBLNOQYCF-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000822649626 606245594 /nfs/dbraw/zinc/24/55/94/606245594.db2.gz GBRZTQBLNOQYCF-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000823346424 606269266 /nfs/dbraw/zinc/26/92/66/606269266.db2.gz NNUKIMVFGPEISD-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000823346424 606269267 /nfs/dbraw/zinc/26/92/67/606269267.db2.gz NNUKIMVFGPEISD-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM CC(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820047514 606471773 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EEBDHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1 ZINC000822183382 607250288 /nfs/dbraw/zinc/25/02/88/607250288.db2.gz GNAQVRMBOALDTD-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1 ZINC000822183382 607250289 /nfs/dbraw/zinc/25/02/89/607250289.db2.gz GNAQVRMBOALDTD-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3cccc(F)c3C2)c(-c2nnn[n-]2)c1 ZINC000826498565 608446779 /nfs/dbraw/zinc/44/67/79/608446779.db2.gz AQRBWCGTNHOIMP-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3cccc(F)c3C2)c(-c2nn[n-]n2)c1 ZINC000826498565 608446781 /nfs/dbraw/zinc/44/67/81/608446781.db2.gz AQRBWCGTNHOIMP-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826497915 609321499 /nfs/dbraw/zinc/32/14/99/609321499.db2.gz YNBWSBGDFCSSCL-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826497915 609321501 /nfs/dbraw/zinc/32/15/01/609321501.db2.gz YNBWSBGDFCSSCL-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)ccc1[N+](=O)[O-] ZINC001059554063 687046422 /nfs/dbraw/zinc/04/64/22/687046422.db2.gz KVVONHCWZGRCFH-TXEJJXNPSA-N -1 3 342.355 2.377 20 5 EEBDHM O=C(CCC(F)(F)F)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107092319 1193190106 /nfs/dbraw/zinc/19/01/06/1193190106.db2.gz ZQMLNECEWNGMSP-UPHRSURJSA-N -1 3 348.281 2.122 20 5 EEBDHM CCN(CC1CCN(C(=O)C2CC2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001067631367 1249350555 /nfs/dbraw/zinc/35/05/55/1249350555.db2.gz LMNMODMPKNWSEX-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM CCCCC(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001096092248 1234684299 /nfs/dbraw/zinc/68/42/99/1234684299.db2.gz WREWWBNEENOGNY-UHFFFAOYSA-N -1 3 336.392 2.313 20 5 EEBDHM CCCN(CCNC(=O)c1ccc(C)o1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101099696 1245404991 /nfs/dbraw/zinc/40/49/91/1245404991.db2.gz WNTCJCOAACLZSV-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM Cc1cccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001101603470 1246015351 /nfs/dbraw/zinc/01/53/51/1246015351.db2.gz QQSURRWKDXOTBY-UHFFFAOYSA-N -1 3 344.371 2.496 20 5 EEBDHM Cc1nc(NCCN(C)C(=O)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001101520208 1299676744 /nfs/dbraw/zinc/67/67/44/1299676744.db2.gz OPZLFAMXYQZLTH-UHFFFAOYSA-N -1 3 330.344 2.188 20 5 EEBDHM O=C(/C=C\C1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111777887 1303872082 /nfs/dbraw/zinc/87/20/82/1303872082.db2.gz XCTYCUQMAXPEQW-PLNGDYQASA-N -1 3 332.360 2.112 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001111885085 1304049217 /nfs/dbraw/zinc/04/92/17/1304049217.db2.gz YKPWEPQOISUXLK-GDNZZTSVSA-N -1 3 346.387 2.192 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3nc4c(cccc4[O-])[nH]3)C2)nc1 ZINC001234447404 1304926269 /nfs/dbraw/zinc/92/62/69/1304926269.db2.gz MOBDXRMJPPTARX-NSHDSACASA-N -1 3 341.327 2.229 20 5 EEBDHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)co1 ZINC000832472604 1314677830 /nfs/dbraw/zinc/67/78/30/1314677830.db2.gz BNUGPXNVXWBYDD-UHFFFAOYSA-N -1 3 339.373 2.186 20 5 EEBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000837574128 1315094770 /nfs/dbraw/zinc/09/47/70/1315094770.db2.gz WDCIQAHETSDYTM-UHFFFAOYSA-N -1 3 333.275 2.464 20 5 EEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839784323 1315244370 /nfs/dbraw/zinc/24/43/70/1315244370.db2.gz VBNKEKLXWGYVMG-QWHCGFSZSA-N -1 3 336.344 2.088 20 5 EEBDHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001309166192 1331619728 /nfs/dbraw/zinc/61/97/28/1331619728.db2.gz LBVXOZYWSKEHQZ-NWDGAFQWSA-N -1 3 327.406 2.483 20 5 EEBDHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccs1 ZINC001609127815 1351853534 /nfs/dbraw/zinc/85/35/34/1351853534.db2.gz XLPWPQITAJOHJV-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM COC[C@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609319407 1351932234 /nfs/dbraw/zinc/93/22/34/1351932234.db2.gz DMDGJVSVGWUIPY-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM COC[C@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319407 1351932236 /nfs/dbraw/zinc/93/22/36/1351932236.db2.gz DMDGJVSVGWUIPY-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001609832041 1352096437 /nfs/dbraw/zinc/09/64/37/1352096437.db2.gz CNAPDXOJJIGHOY-NHYWBVRUSA-N -1 3 330.344 2.211 20 5 EEBDHM C[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315528 1349262003 /nfs/dbraw/zinc/26/20/03/1349262003.db2.gz XEXSUNRGSFOMDW-OCAPTIKFSA-N -1 3 338.368 2.244 20 5 EEBDHM C[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315528 1349262009 /nfs/dbraw/zinc/26/20/09/1349262009.db2.gz XEXSUNRGSFOMDW-OCAPTIKFSA-N -1 3 338.368 2.244 20 5 EEBDHM CC[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590473069 1349345408 /nfs/dbraw/zinc/34/54/08/1349345408.db2.gz XYFFCKSUJUUIBI-ZYHUDNBSSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001590473069 1349345414 /nfs/dbraw/zinc/34/54/14/1349345414.db2.gz XYFFCKSUJUUIBI-ZYHUDNBSSA-N -1 3 332.364 2.392 20 5 EEBDHM Cc1ccncc1CN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592277139 1349616573 /nfs/dbraw/zinc/61/65/73/1349616573.db2.gz USWHDCUKSVOMDX-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM Cc1ccncc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592277139 1349616575 /nfs/dbraw/zinc/61/65/75/1349616575.db2.gz USWHDCUKSVOMDX-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001593211833 1349747485 /nfs/dbraw/zinc/74/74/85/1349747485.db2.gz BTHUXXYESTUKGG-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001593211833 1349747489 /nfs/dbraw/zinc/74/74/89/1349747489.db2.gz BTHUXXYESTUKGG-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001593299612 1349772940 /nfs/dbraw/zinc/77/29/40/1349772940.db2.gz FKKGZFHIWQBIPG-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001593299612 1349772942 /nfs/dbraw/zinc/77/29/42/1349772942.db2.gz FKKGZFHIWQBIPG-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1C[C@H]1C1CCOCC1 ZINC001593467901 1349804813 /nfs/dbraw/zinc/80/48/13/1349804813.db2.gz GFCFASDLAOCIII-JOYOIKCWSA-N -1 3 348.338 2.141 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1C[C@H]1C1CCOCC1 ZINC001593467901 1349804816 /nfs/dbraw/zinc/80/48/16/1349804816.db2.gz GFCFASDLAOCIII-JOYOIKCWSA-N -1 3 348.338 2.141 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCC1SCCS1 ZINC001593474678 1349808270 /nfs/dbraw/zinc/80/82/70/1349808270.db2.gz FGQMFLFDYFCWOD-UHFFFAOYSA-N -1 3 338.418 2.383 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCC1SCCS1 ZINC001593474678 1349808279 /nfs/dbraw/zinc/80/82/79/1349808279.db2.gz FGQMFLFDYFCWOD-UHFFFAOYSA-N -1 3 338.418 2.383 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3c(O)cccc3C2)c(-c2nnn[n-]2)c1 ZINC001593478319 1349811247 /nfs/dbraw/zinc/81/12/47/1349811247.db2.gz FZKLUWVJZAVTOJ-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3c(O)cccc3C2)c(-c2nn[n-]n2)c1 ZINC001593478319 1349811252 /nfs/dbraw/zinc/81/12/52/1349811252.db2.gz FZKLUWVJZAVTOJ-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCCC(F)F)cc(-c3nnn[n-]3)c2c1 ZINC001593481466 1349813288 /nfs/dbraw/zinc/81/32/88/1349813288.db2.gz ZXIIRXWKUNXSRD-UHFFFAOYSA-N -1 3 335.274 2.390 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCCC(F)F)cc(-c3nn[n-]n3)c2c1 ZINC001593481466 1349813291 /nfs/dbraw/zinc/81/32/91/1349813291.db2.gz ZXIIRXWKUNXSRD-UHFFFAOYSA-N -1 3 335.274 2.390 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001593483740 1349814230 /nfs/dbraw/zinc/81/42/30/1349814230.db2.gz GIZGJESNHALJQB-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603818570 1350775929 /nfs/dbraw/zinc/77/59/29/1350775929.db2.gz IETFBPAODRBHNV-CZUORRHYSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603818570 1350775934 /nfs/dbraw/zinc/77/59/34/1350775934.db2.gz IETFBPAODRBHNV-CZUORRHYSA-N -1 3 337.343 2.312 20 5 EEBDHM CC[C@H](C)[C@@](C)(O)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603998847 1350825948 /nfs/dbraw/zinc/82/59/48/1350825948.db2.gz SUVUVYNWJLFTCE-RTHLEPHNSA-N -1 3 338.343 2.123 20 5 EEBDHM CC[C@H](C)[C@@](C)(O)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603998847 1350825951 /nfs/dbraw/zinc/82/59/51/1350825951.db2.gz SUVUVYNWJLFTCE-RTHLEPHNSA-N -1 3 338.343 2.123 20 5 EEBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001604798157 1351007125 /nfs/dbraw/zinc/00/71/25/1351007125.db2.gz AOWDCTWSRZOKNI-UHFFFAOYSA-N -1 3 344.356 2.109 20 5 EEBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001604798157 1351007129 /nfs/dbraw/zinc/00/71/29/1351007129.db2.gz AOWDCTWSRZOKNI-UHFFFAOYSA-N -1 3 344.356 2.109 20 5 EEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001604807215 1351011134 /nfs/dbraw/zinc/01/11/34/1351011134.db2.gz JGDSXWZLBFUPDE-UHFFFAOYSA-N -1 3 342.281 2.302 20 5 EEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001604807215 1351011136 /nfs/dbraw/zinc/01/11/36/1351011136.db2.gz JGDSXWZLBFUPDE-UHFFFAOYSA-N -1 3 342.281 2.302 20 5 EEBDHM COC(=O)[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604902630 1351028591 /nfs/dbraw/zinc/02/85/91/1351028591.db2.gz NKTFVACWDCPQGV-LBPRGKRZSA-N -1 3 348.363 2.165 20 5 EEBDHM COC(=O)[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604902630 1351028594 /nfs/dbraw/zinc/02/85/94/1351028594.db2.gz NKTFVACWDCPQGV-LBPRGKRZSA-N -1 3 348.363 2.165 20 5 EEBDHM Cc1cc(NC[C@@H]2CCOC[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605730118 1351219275 /nfs/dbraw/zinc/21/92/75/1351219275.db2.gz FBYYVPFGZQBFAM-QWRGUYRKSA-N -1 3 332.364 2.168 20 5 EEBDHM Cc1cc(NC[C@@H]2CCOC[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605730118 1351219277 /nfs/dbraw/zinc/21/92/77/1351219277.db2.gz FBYYVPFGZQBFAM-QWRGUYRKSA-N -1 3 332.364 2.168 20 5 EEBDHM Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC001605858010 1351238660 /nfs/dbraw/zinc/23/86/60/1351238660.db2.gz HCAFMUNPWWXLFT-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC001605858010 1351238662 /nfs/dbraw/zinc/23/86/62/1351238662.db2.gz HCAFMUNPWWXLFT-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001605883685 1351246043 /nfs/dbraw/zinc/24/60/43/1351246043.db2.gz DWKCBKICEUEKCF-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606572621 1351324310 /nfs/dbraw/zinc/32/43/10/1351324310.db2.gz 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O=[N+]([O-])c1cc(F)c(NCc2cncc(-c3nn[n-]n3)c2)c(F)c1 ZINC001607079010 1351408777 /nfs/dbraw/zinc/40/87/77/1351408777.db2.gz UUWKKINUUTWGTH-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(NCCOc2ccccc2F)ccc1-c1nnn[n-]1 ZINC001607080593 1351409092 /nfs/dbraw/zinc/40/90/92/1351409092.db2.gz XZUUSWAOZNROPF-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[C@@H]1CCCC[C@@H]1O ZINC001607084551 1351411775 /nfs/dbraw/zinc/41/17/75/1351411775.db2.gz MIXQXAMLOGWTOF-GWCFXTLKSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[C@@H]1CCCC[C@@H]1O ZINC001607084551 1351411776 /nfs/dbraw/zinc/41/17/76/1351411776.db2.gz MIXQXAMLOGWTOF-GWCFXTLKSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC001607087029 1351412628 /nfs/dbraw/zinc/41/26/28/1351412628.db2.gz YBGWMXCZJMUQIX-JTQLQIEISA-N -1 3 329.345 2.331 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC001607087029 1351412630 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KODXOPDNMRORPW-SNVBAGLBSA-N -1 3 342.718 2.361 20 5 EEBDHM CC(C)C[C@@H]1COCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589572133 1349005375 /nfs/dbraw/zinc/00/53/75/1349005375.db2.gz AIIPATFSDHDDBS-GFCCVEGCSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)C[C@@H]1COCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589572133 1349005381 /nfs/dbraw/zinc/00/53/81/1349005381.db2.gz AIIPATFSDHDDBS-GFCCVEGCSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)O[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589738988 1349026290 /nfs/dbraw/zinc/02/62/90/1349026290.db2.gz BLHIVQUXIUQIPA-LBPRGKRZSA-N -1 3 332.364 2.169 20 5 EEBDHM CC(C)O[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589738988 1349026294 /nfs/dbraw/zinc/02/62/94/1349026294.db2.gz BLHIVQUXIUQIPA-LBPRGKRZSA-N -1 3 332.364 2.169 20 5 EEBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133861 1349169461 /nfs/dbraw/zinc/16/94/61/1349169461.db2.gz HTSLPOISIQXXEB-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133861 1349169467 /nfs/dbraw/zinc/16/94/67/1349169467.db2.gz HTSLPOISIQXXEB-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM CC[C@H](CC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590421152 1349317252 /nfs/dbraw/zinc/31/72/52/1349317252.db2.gz GQYCUBBENPSZIZ-ZCFIWIBFSA-N -1 3 331.258 2.313 20 5 EEBDHM CC[C@H](CC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590421152 1349317258 /nfs/dbraw/zinc/31/72/58/1349317258.db2.gz GQYCUBBENPSZIZ-ZCFIWIBFSA-N -1 3 331.258 2.313 20 5 EEBDHM CCC1(C)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001590489705 1349352752 /nfs/dbraw/zinc/35/27/52/1349352752.db2.gz KQYSLRHFAJPEGS-UHFFFAOYSA-N -1 3 331.380 2.374 20 5 EEBDHM CCC1(C)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001590489705 1349352756 /nfs/dbraw/zinc/35/27/56/1349352756.db2.gz KQYSLRHFAJPEGS-UHFFFAOYSA-N -1 3 331.380 2.374 20 5 EEBDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)OCCC[N+](=O)[O-] ZINC001591813767 1349538627 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NDCICFZUKDFWLP-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1cccnc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592264038 1349614450 /nfs/dbraw/zinc/61/44/50/1349614450.db2.gz NDCICFZUKDFWLP-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001592892622 1349723668 /nfs/dbraw/zinc/72/36/68/1349723668.db2.gz LNZFVIZUAICWNR-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CCC2(CCC2)O1 ZINC001593469301 1349804495 /nfs/dbraw/zinc/80/44/95/1349804495.db2.gz XRINCEZWVCFLCI-VIFPVBQESA-N -1 3 348.338 2.428 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CCC2(CCC2)O1 ZINC001593469301 1349804499 /nfs/dbraw/zinc/80/44/99/1349804499.db2.gz XRINCEZWVCFLCI-VIFPVBQESA-N -1 3 348.338 2.428 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593478836 1349812026 /nfs/dbraw/zinc/81/20/26/1349812026.db2.gz NCDMDNKTAWDTBO-IMTBSYHQSA-N -1 3 328.254 2.385 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593478836 1349812028 /nfs/dbraw/zinc/81/20/28/1349812028.db2.gz NCDMDNKTAWDTBO-IMTBSYHQSA-N -1 3 328.254 2.385 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001593483961 1349813776 /nfs/dbraw/zinc/81/37/76/1349813776.db2.gz MOXJVVSVIWPQHK-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC001593482382 1349814015 /nfs/dbraw/zinc/81/40/15/1349814015.db2.gz QXGRPFYSKDUNHX-UHFFFAOYSA-N -1 3 341.283 2.338 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC001593482382 1349814021 /nfs/dbraw/zinc/81/40/21/1349814021.db2.gz QXGRPFYSKDUNHX-UHFFFAOYSA-N -1 3 341.283 2.338 20 5 EEBDHM O=[N+]([O-])c1sccc1N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593488027 1349816532 /nfs/dbraw/zinc/81/65/32/1349816532.db2.gz DONLJUYCQMYTFG-NSHDSACASA-N -1 3 328.357 2.416 20 5 EEBDHM O=[N+]([O-])c1sccc1N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593488027 1349816537 /nfs/dbraw/zinc/81/65/37/1349816537.db2.gz DONLJUYCQMYTFG-NSHDSACASA-N -1 3 328.357 2.416 20 5 EEBDHM C[C@@H]1CC2(CC(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)CO1 ZINC001603870327 1350788200 /nfs/dbraw/zinc/78/82/00/1350788200.db2.gz CBONKMZDYNJZGW-IWPPJYEWSA-N -1 3 330.348 2.144 20 5 EEBDHM C[C@@H]1CC2(CC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)CO1 ZINC001603870327 1350788203 /nfs/dbraw/zinc/78/82/03/1350788203.db2.gz CBONKMZDYNJZGW-IWPPJYEWSA-N -1 3 330.348 2.144 20 5 EEBDHM CC[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001604111689 1350861900 /nfs/dbraw/zinc/86/19/00/1350861900.db2.gz HNXSJQNJFYITKN-MRVPVSSYSA-N -1 3 338.368 2.246 20 5 EEBDHM CC[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001604111689 1350861904 /nfs/dbraw/zinc/86/19/04/1350861904.db2.gz HNXSJQNJFYITKN-MRVPVSSYSA-N -1 3 338.368 2.246 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC001605535784 1351183683 /nfs/dbraw/zinc/18/36/83/1351183683.db2.gz VXROTFVIGSHVJM-UHFFFAOYSA-N -1 3 343.347 2.213 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC001605535784 1351183686 /nfs/dbraw/zinc/18/36/86/1351183686.db2.gz VXROTFVIGSHVJM-UHFFFAOYSA-N -1 3 343.347 2.213 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCC23CCC(CC2)C3)c1-c1nnn[n-]1 ZINC001606451197 1351304784 /nfs/dbraw/zinc/30/47/84/1351304784.db2.gz FYNMPWQYCAIMBS-UHFFFAOYSA-N -1 3 329.364 2.349 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC001606451197 1351304786 /nfs/dbraw/zinc/30/47/86/1351304786.db2.gz FYNMPWQYCAIMBS-UHFFFAOYSA-N -1 3 329.364 2.349 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC=CCC1 ZINC001606977232 1351389919 /nfs/dbraw/zinc/38/99/19/1351389919.db2.gz LOBMXCIGINXWLU-SNVBAGLBSA-N -1 3 329.316 2.174 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC=CCC1 ZINC001606977232 1351389921 /nfs/dbraw/zinc/38/99/21/1351389921.db2.gz LOBMXCIGINXWLU-SNVBAGLBSA-N -1 3 329.316 2.174 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CC[C@H](C2CC2)O1 ZINC001607077927 1351407680 /nfs/dbraw/zinc/40/76/80/1351407680.db2.gz VOFDYQXSTGHHDD-YMTOWFKASA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CC[C@H](C2CC2)O1 ZINC001607077927 1351407682 /nfs/dbraw/zinc/40/76/82/1351407682.db2.gz VOFDYQXSTGHHDD-YMTOWFKASA-N -1 3 348.338 2.284 20 5 EEBDHM Cc1ccnc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c1[N+](=O)[O-] ZINC001592274668 1404016591 /nfs/dbraw/zinc/01/65/91/1404016591.db2.gz BFQVMTFGQZYMER-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccnc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c1[N+](=O)[O-] ZINC001592274668 1404016603 /nfs/dbraw/zinc/01/66/03/1404016603.db2.gz BFQVMTFGQZYMER-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM C[C@H](NCC(=O)[N-]OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180459844 774811706 /nfs/dbraw/zinc/81/17/06/774811706.db2.gz XRAVYQVBMRFTIB-ZDUSSCGKSA-N -1 3 329.356 2.493 20 5 EEBDHM Cc1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1F ZINC001094758761 796564610 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EEBDHM O=[N+]([O-])c1cccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000738368067 578010974 /nfs/dbraw/zinc/01/09/74/578010974.db2.gz CQKOLOGZGUFGJF-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCc3cccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367251 578010976 /nfs/dbraw/zinc/01/09/76/578010976.db2.gz OMARGGHVULBYLP-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCc3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367251 578010977 /nfs/dbraw/zinc/01/09/77/578010977.db2.gz OMARGGHVULBYLP-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368656 578011119 /nfs/dbraw/zinc/01/11/19/578011119.db2.gz HMXYEWRIJTXVHR-NSHDSACASA-N -1 3 341.356 2.429 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368656 578011120 /nfs/dbraw/zinc/01/11/20/578011120.db2.gz HMXYEWRIJTXVHR-NSHDSACASA-N -1 3 341.356 2.429 20 5 EEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1ccc([O-])c(F)c1 ZINC000738553034 578019133 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EEBDHM CCc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736681603 578217796 /nfs/dbraw/zinc/21/77/96/578217796.db2.gz BTOSTQBEHWTWOF-UHFFFAOYSA-N -1 3 339.359 2.387 20 5 EEBDHM O=C(OCc1cc(=O)c([O-])co1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000736787765 578223543 /nfs/dbraw/zinc/22/35/43/578223543.db2.gz UAMJXQOOGMOYFH-UHFFFAOYSA-N -1 3 331.236 2.357 20 5 EEBDHM O=[N+]([O-])c1ccc(NCC[C@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640253 599086489 /nfs/dbraw/zinc/08/64/89/599086489.db2.gz YZVFSDFCJBTWMZ-HNNXBMFYSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1ccc(NCC[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640253 599086490 /nfs/dbraw/zinc/08/64/90/599086490.db2.gz YZVFSDFCJBTWMZ-HNNXBMFYSA-N -1 3 340.343 2.311 20 5 EEBDHM COCC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821685543 599513971 /nfs/dbraw/zinc/51/39/71/599513971.db2.gz HONSQQKTJZFBJY-VIFPVBQESA-N -1 3 343.347 2.160 20 5 EEBDHM COCC[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821685543 599513974 /nfs/dbraw/zinc/51/39/74/599513974.db2.gz HONSQQKTJZFBJY-VIFPVBQESA-N -1 3 343.347 2.160 20 5 EEBDHM C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404482 599532147 /nfs/dbraw/zinc/53/21/47/599532147.db2.gz WIYQAUVQLTYKCY-QMMMGPOBSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404482 599532149 /nfs/dbraw/zinc/53/21/49/599532149.db2.gz WIYQAUVQLTYKCY-QMMMGPOBSA-N -1 3 344.356 2.327 20 5 EEBDHM O=C(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC1CCCCC1 ZINC000823014167 606423431 /nfs/dbraw/zinc/42/34/31/606423431.db2.gz IUWCAOMJHQIRIO-UHFFFAOYSA-N -1 3 346.347 2.063 20 5 EEBDHM O=C(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC1CCCCC1 ZINC000823014167 606423433 /nfs/dbraw/zinc/42/34/33/606423433.db2.gz IUWCAOMJHQIRIO-UHFFFAOYSA-N -1 3 346.347 2.063 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(CC(F)(F)F)C1 ZINC000823629636 607120079 /nfs/dbraw/zinc/12/00/79/607120079.db2.gz CQJRRNNCIBYRBZ-UHFFFAOYSA-N -1 3 328.254 2.164 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(CC(F)(F)F)C1 ZINC000823629636 607120081 /nfs/dbraw/zinc/12/00/81/607120081.db2.gz CQJRRNNCIBYRBZ-UHFFFAOYSA-N -1 3 328.254 2.164 20 5 EEBDHM CN(Cc1cccc(O)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825981462 608076558 /nfs/dbraw/zinc/07/65/58/608076558.db2.gz SIWUINMFVCGMOW-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM CN(Cc1cccc(O)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825981462 608076559 /nfs/dbraw/zinc/07/65/59/608076559.db2.gz SIWUINMFVCGMOW-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000826466629 608440406 /nfs/dbraw/zinc/44/04/06/608440406.db2.gz MNCOONXWMMBYJS-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000826466629 608440408 /nfs/dbraw/zinc/44/04/08/608440408.db2.gz MNCOONXWMMBYJS-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM Cc1ccnc(NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826313523 609523273 /nfs/dbraw/zinc/52/32/73/609523273.db2.gz JXEZLPCRPMJCGL-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccnc(NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826313523 609523274 /nfs/dbraw/zinc/52/32/74/609523274.db2.gz JXEZLPCRPMJCGL-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255864059 681196777 /nfs/dbraw/zinc/19/67/77/681196777.db2.gz URSVHYAVQBGFQO-LCYFTJDESA-N -1 3 339.307 2.326 20 5 EEBDHM CC(C)CCCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105567423 1188180876 /nfs/dbraw/zinc/18/08/76/1188180876.db2.gz YYWHETIYDUVWMQ-UHFFFAOYSA-N -1 3 338.408 2.416 20 5 EEBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)/C=C\C2CC2)CC1 ZINC001067247884 1229128269 /nfs/dbraw/zinc/12/82/69/1229128269.db2.gz AIMACEXENHODBV-PLNGDYQASA-N -1 3 346.387 2.455 20 5 EEBDHM O=C(N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCC1 ZINC001068433828 1251036341 /nfs/dbraw/zinc/03/63/41/1251036341.db2.gz BUISOLVRXJAHOB-UMSPYCQHSA-N -1 3 334.376 2.192 20 5 EEBDHM CN(CCNC(=O)CC1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099910754 1258456964 /nfs/dbraw/zinc/45/69/64/1258456964.db2.gz RQSLXHHUJZMYBL-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c(F)cc1[N+](=O)[O-] ZINC000867151462 1283879371 /nfs/dbraw/zinc/87/93/71/1283879371.db2.gz IBAKMDAXBDQTNW-JTQLQIEISA-N -1 3 330.337 2.013 20 5 EEBDHM CN1CCc2c(sc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC001199802611 1285836755 /nfs/dbraw/zinc/83/67/55/1285836755.db2.gz WBJWHCOYTXXDCC-UHFFFAOYSA-N -1 3 348.384 2.192 20 5 EEBDHM C/C=C(\C)C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001102091315 1300284040 /nfs/dbraw/zinc/28/40/40/1300284040.db2.gz BZKONCWQFYABRQ-LFYBBSHMSA-N -1 3 336.392 2.383 20 5 EEBDHM CCc1cnc(=S)[n-]c1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001227062387 1301669071 /nfs/dbraw/zinc/66/90/71/1301669071.db2.gz VPGYKTDBRLKKOG-LBPRGKRZSA-N -1 3 347.400 2.289 20 5 EEBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001609074531 1351831174 /nfs/dbraw/zinc/83/11/74/1351831174.db2.gz SLQFWFWAJLQHHB-JQWIXIFHSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001609074531 1351831177 /nfs/dbraw/zinc/83/11/77/1351831177.db2.gz SLQFWFWAJLQHHB-JQWIXIFHSA-N -1 3 347.379 2.176 20 5 EEBDHM CN(CC(F)F)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609272952 1351917079 /nfs/dbraw/zinc/91/70/79/1351917079.db2.gz JKNRIVJEHPRNJY-UHFFFAOYSA-N -1 3 335.274 2.024 20 5 EEBDHM CN(CC(F)F)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609272952 1351917080 /nfs/dbraw/zinc/91/70/80/1351917080.db2.gz JKNRIVJEHPRNJY-UHFFFAOYSA-N -1 3 335.274 2.024 20 5 EEBDHM Cc1cc(OC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001609410295 1351965693 /nfs/dbraw/zinc/96/56/93/1351965693.db2.gz RNZFGOWVIRYCHS-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1cc(OC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001609410295 1351965697 /nfs/dbraw/zinc/96/56/97/1351965697.db2.gz RNZFGOWVIRYCHS-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cn1ccc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc21 ZINC001609479995 1351992384 /nfs/dbraw/zinc/99/23/84/1351992384.db2.gz DKPPTAHWUMFCQZ-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM Cn1ccc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc21 ZINC001609479995 1351992388 /nfs/dbraw/zinc/99/23/88/1351992388.db2.gz DKPPTAHWUMFCQZ-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001609517516 1352001958 /nfs/dbraw/zinc/00/19/58/1352001958.db2.gz BAGPEWMJAIRYIX-XCVCLJGOSA-N -1 3 337.295 2.394 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609517516 1352001961 /nfs/dbraw/zinc/00/19/61/1352001961.db2.gz BAGPEWMJAIRYIX-XCVCLJGOSA-N -1 3 337.295 2.394 20 5 EEBDHM O=[N+]([O-])c1cccc2ncnc(NCc3cccc(-c4nnn[n-]4)c3)c21 ZINC001609603403 1352032742 /nfs/dbraw/zinc/03/27/42/1352032742.db2.gz BFRMIYSWQGFGFP-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc2ncnc(NCc3cccc(-c4nn[n-]n4)c3)c21 ZINC001609603403 1352032744 /nfs/dbraw/zinc/03/27/44/1352032744.db2.gz BFRMIYSWQGFGFP-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM CC(=O)c1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC001588917555 1348946852 /nfs/dbraw/zinc/94/68/52/1348946852.db2.gz QUHMJFDPOMOHRR-UHFFFAOYSA-N -1 3 340.299 2.473 20 5 EEBDHM CC(=O)c1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC001588917555 1348946854 /nfs/dbraw/zinc/94/68/54/1348946854.db2.gz QUHMJFDPOMOHRR-UHFFFAOYSA-N -1 3 340.299 2.473 20 5 EEBDHM C[C@@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccns1 ZINC001589966158 1349084907 /nfs/dbraw/zinc/08/49/07/1349084907.db2.gz ZIIGIJYCNPCDKM-MRVPVSSYSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccns1 ZINC001589966158 1349084914 /nfs/dbraw/zinc/08/49/14/1349084914.db2.gz ZIIGIJYCNPCDKM-MRVPVSSYSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@H](c1cccnc1)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590050165 1349130047 /nfs/dbraw/zinc/13/00/47/1349130047.db2.gz ISEBCSNTMJGINA-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@H](c1cccnc1)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590050165 1349130052 /nfs/dbraw/zinc/13/00/52/1349130052.db2.gz ISEBCSNTMJGINA-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@@H]1C[C@@H]1c1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001590221247 1349207262 /nfs/dbraw/zinc/20/72/62/1349207262.db2.gz TVRJPTNGGBLABW-KCJUWKMLSA-N -1 3 341.331 2.498 20 5 EEBDHM C[C@@H]1C[C@@H]1c1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001590221247 1349207266 /nfs/dbraw/zinc/20/72/66/1349207266.db2.gz TVRJPTNGGBLABW-KCJUWKMLSA-N -1 3 341.331 2.498 20 5 EEBDHM CCC(C)(C)OC1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590376411 1349290475 /nfs/dbraw/zinc/29/04/75/1349290475.db2.gz AMTZMKVAAKLDGX-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM CCC(C)(C)OC1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590376411 1349290480 /nfs/dbraw/zinc/29/04/80/1349290480.db2.gz AMTZMKVAAKLDGX-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccccc1 ZINC001593470214 1349805742 /nfs/dbraw/zinc/80/57/42/1349805742.db2.gz INZKRSGIDXKPHR-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ccccc1 ZINC001593470214 1349805745 /nfs/dbraw/zinc/80/57/45/1349805745.db2.gz INZKRSGIDXKPHR-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001593471155 1349805842 /nfs/dbraw/zinc/80/58/42/1349805842.db2.gz OJDCVUJEPVKDAT-VHDGCEQUSA-N -1 3 349.354 2.310 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001593471155 1349805847 /nfs/dbraw/zinc/80/58/47/1349805847.db2.gz OJDCVUJEPVKDAT-VHDGCEQUSA-N -1 3 349.354 2.310 20 5 EEBDHM O=C([O-])c1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC001602246891 1350475507 /nfs/dbraw/zinc/47/55/07/1350475507.db2.gz RKVZDUCAWZHFLP-LSDHHAIUSA-N -1 3 347.371 2.040 20 5 EEBDHM C[C@H]1CCC[C@@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC001603883932 1350791847 /nfs/dbraw/zinc/79/18/47/1350791847.db2.gz DBRMXWHFELVNCK-WDEREUQCSA-N -1 3 343.391 2.432 20 5 EEBDHM C[C@H]1CCC[C@@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC001603883932 1350791851 /nfs/dbraw/zinc/79/18/51/1350791851.db2.gz DBRMXWHFELVNCK-WDEREUQCSA-N -1 3 343.391 2.432 20 5 EEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC001604800709 1351008845 /nfs/dbraw/zinc/00/88/45/1351008845.db2.gz MHZXWSVWHYVITR-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC001604800709 1351008848 /nfs/dbraw/zinc/00/88/48/1351008848.db2.gz MHZXWSVWHYVITR-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001604814071 1351013341 /nfs/dbraw/zinc/01/33/41/1351013341.db2.gz YBDYAIDZKOGTDP-NSHDSACASA-N -1 3 334.376 2.141 20 5 EEBDHM CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001605372339 1351146729 /nfs/dbraw/zinc/14/67/29/1351146729.db2.gz RWZHNZYHCNALLA-DTWKUNHWSA-N -1 3 349.420 2.443 20 5 EEBDHM CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001605372339 1351146731 /nfs/dbraw/zinc/14/67/31/1351146731.db2.gz RWZHNZYHCNALLA-DTWKUNHWSA-N -1 3 349.420 2.443 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(Sc2ccc(CO)cc2)c1-c1nnn[n-]1 ZINC001606451934 1351305015 /nfs/dbraw/zinc/30/50/15/1351305015.db2.gz TYPDPZREZARJCW-UHFFFAOYSA-N -1 3 344.356 2.001 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(Sc2ccc(CO)cc2)c1-c1nn[n-]n1 ZINC001606451934 1351305018 /nfs/dbraw/zinc/30/50/18/1351305018.db2.gz TYPDPZREZARJCW-UHFFFAOYSA-N -1 3 344.356 2.001 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001607082218 1351410093 /nfs/dbraw/zinc/41/00/93/1351410093.db2.gz SSRFKTMTSDAFEH-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H](O)c1ccc(F)cc1 ZINC001607081983 1351410200 /nfs/dbraw/zinc/41/02/00/1351410200.db2.gz MWHMAIMDLATBKA-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H](O)c1ccc(F)cc1 ZINC001607081983 1351410205 /nfs/dbraw/zinc/41/02/05/1351410205.db2.gz MWHMAIMDLATBKA-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](CF)C3)cc(-c3nnn[n-]3)c2c1 ZINC001607083494 1351411033 /nfs/dbraw/zinc/41/10/33/1351411033.db2.gz GPVBANDPYDYFPQ-SECBINFHSA-N -1 3 343.322 2.119 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](CF)C3)cc(-c3nn[n-]n3)c2c1 ZINC001607083494 1351411035 /nfs/dbraw/zinc/41/10/35/1351411035.db2.gz GPVBANDPYDYFPQ-SECBINFHSA-N -1 3 343.322 2.119 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](F)C3)cc(-c3nnn[n-]3)c2c1 ZINC001607083934 1351411078 /nfs/dbraw/zinc/41/10/78/1351411078.db2.gz TXSZVSNLPGBBKG-VIFPVBQESA-N -1 3 343.322 2.261 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](F)C3)cc(-c3nn[n-]n3)c2c1 ZINC001607083934 1351411081 /nfs/dbraw/zinc/41/10/81/1351411081.db2.gz TXSZVSNLPGBBKG-VIFPVBQESA-N -1 3 343.322 2.261 20 5 EEBDHM 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)CC(C)(C)C)cc1C ZINC000178776863 463971316 /nfs/dbraw/zinc/97/13/16/463971316.db2.gz KRTZRCYGCTXMIC-GFCCVEGCSA-N -1 3 344.433 2.287 20 5 EEBDHM COCC1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCC1 ZINC000284002085 464064435 /nfs/dbraw/zinc/06/44/35/464064435.db2.gz PJWPRAONXSJGNS-UHFFFAOYSA-N -1 3 328.390 2.059 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CCO)C(C)(C)C)c1[N+](=O)[O-] ZINC000189986224 464579473 /nfs/dbraw/zinc/57/94/73/464579473.db2.gz MJOYVQXSKXFARN-LBPRGKRZSA-N -1 3 344.433 2.287 20 5 EEBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000272474039 464624497 /nfs/dbraw/zinc/62/44/97/464624497.db2.gz FBQJNSMVFYHXRX-CQSZACIVSA-N -1 3 333.388 2.391 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000190942519 464749269 /nfs/dbraw/zinc/74/92/69/464749269.db2.gz OPTXJJURMOMPDB-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000343017048 465456559 /nfs/dbraw/zinc/45/65/59/465456559.db2.gz ULKGIFQHORUVFO-LERXQTSPSA-N -1 3 342.417 2.241 20 5 EEBDHM CCC1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOCC1 ZINC000330520976 465690866 /nfs/dbraw/zinc/69/08/66/465690866.db2.gz HNZJUOWABSGNHR-UHFFFAOYSA-N -1 3 342.417 2.449 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000331063935 465919314 /nfs/dbraw/zinc/91/93/14/465919314.db2.gz WLMJCVVZAATCOG-CYBMUJFWSA-N -1 3 341.433 2.054 20 5 EEBDHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000338426598 466117491 /nfs/dbraw/zinc/11/74/91/466117491.db2.gz UNFQLJBLBJTFNE-RYUDHWBXSA-N -1 3 342.417 2.467 20 5 EEBDHM COc1ccc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2c1 ZINC000354324537 466476903 /nfs/dbraw/zinc/47/69/03/466476903.db2.gz PQNQPNLNXHGJEZ-UHFFFAOYSA-N -1 3 333.329 2.497 20 5 EEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000435635454 467484877 /nfs/dbraw/zinc/48/48/77/467484877.db2.gz HPUSUIFDYWTKFL-UHFFFAOYSA-N -1 3 335.385 2.339 20 5 EEBDHM CN(CC1CCN(C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000519651126 468190674 /nfs/dbraw/zinc/19/06/74/468190674.db2.gz MTZNLCOYHAUPQM-UHFFFAOYSA-N -1 3 341.795 2.368 20 5 EEBDHM COc1cc(CN[C@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000570689252 468678856 /nfs/dbraw/zinc/67/88/56/468678856.db2.gz KBZIDOBAZIRKFO-JGVFFNPUSA-N -1 3 348.302 2.404 20 5 EEBDHM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000583944388 468777719 /nfs/dbraw/zinc/77/77/19/468777719.db2.gz LOJPXSKTMDRLPP-UHFFFAOYSA-N -1 3 333.388 2.248 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CS[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601440115 468874632 /nfs/dbraw/zinc/87/46/32/468874632.db2.gz PRIVRBQLBYRZIK-RKDXNWHRSA-N -1 3 334.394 2.215 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccnc2C)c1C ZINC000599444112 469259700 /nfs/dbraw/zinc/25/97/00/469259700.db2.gz HBWUPYFLVWPSPA-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM CC[C@@]1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOC1 ZINC000616461273 469452552 /nfs/dbraw/zinc/45/25/52/469452552.db2.gz KGGBAYXIXOWGKU-CQSZACIVSA-N -1 3 328.390 2.059 20 5 EEBDHM CCC1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCOCC1 ZINC000768849522 577564074 /nfs/dbraw/zinc/56/40/74/577564074.db2.gz WYWSIUYOGPYVQW-UHFFFAOYSA-N -1 3 334.419 2.141 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000769694591 577582419 /nfs/dbraw/zinc/58/24/19/577582419.db2.gz VOASITNQCLOUKT-UWVGGRQHSA-N -1 3 348.808 2.402 20 5 EEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000742309581 577870826 /nfs/dbraw/zinc/87/08/26/577870826.db2.gz POIUPWOWXYRQFU-ONGXEEELSA-N -1 3 347.824 2.009 20 5 EEBDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000736157018 578183592 /nfs/dbraw/zinc/18/35/92/578183592.db2.gz HOCMKRJHAPLCGW-VIFPVBQESA-N -1 3 340.299 2.088 20 5 EEBDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000736157018 578183593 /nfs/dbraw/zinc/18/35/93/578183593.db2.gz HOCMKRJHAPLCGW-VIFPVBQESA-N -1 3 340.299 2.088 20 5 EEBDHM Cc1ccccc1[C@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737423451 578256765 /nfs/dbraw/zinc/25/67/65/578256765.db2.gz UYCDGZTXSDVNJM-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccccc1[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737423451 578256766 /nfs/dbraw/zinc/25/67/66/578256766.db2.gz UYCDGZTXSDVNJM-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1nn(CN2CCC[C@H](CC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000819030054 597227840 /nfs/dbraw/zinc/22/78/40/597227840.db2.gz TYEZSZKKOFWYKB-GFCCVEGCSA-N -1 3 332.360 2.397 20 5 EEBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823066053 607466823 /nfs/dbraw/zinc/46/68/23/607466823.db2.gz KMYITANOLSIHHI-UHFFFAOYSA-N -1 3 342.340 2.145 20 5 EEBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823066053 607466824 /nfs/dbraw/zinc/46/68/24/607466824.db2.gz KMYITANOLSIHHI-UHFFFAOYSA-N -1 3 342.340 2.145 20 5 EEBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424909 601534054 /nfs/dbraw/zinc/53/40/54/601534054.db2.gz UUIQRVDVKHPFAB-GBIKHYSHSA-N -1 3 346.343 2.358 20 5 EEBDHM COc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826207474 607540726 /nfs/dbraw/zinc/54/07/26/607540726.db2.gz PILFYXGTDQEOMK-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826207474 607540728 /nfs/dbraw/zinc/54/07/28/607540728.db2.gz PILFYXGTDQEOMK-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM CCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821214823 606240383 /nfs/dbraw/zinc/24/03/83/606240383.db2.gz MDVBYEUWJKPOCU-UHFFFAOYSA-N -1 3 339.359 2.239 20 5 EEBDHM CCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821214823 606240385 /nfs/dbraw/zinc/24/03/85/606240385.db2.gz MDVBYEUWJKPOCU-UHFFFAOYSA-N -1 3 339.359 2.239 20 5 EEBDHM CCOC(=O)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC000821337121 606834466 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339.359 2.423 20 5 EEBDHM CC(C)C(=O)NCC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110863077 1204934964 /nfs/dbraw/zinc/93/49/64/1204934964.db2.gz TUFKGPWCODWECU-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM CN(CCCNC(=O)CCCC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095701854 1205918830 /nfs/dbraw/zinc/91/88/30/1205918830.db2.gz ZIWICTILJGGJBA-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM C=C/C(C)=C/CC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095703566 1205921021 /nfs/dbraw/zinc/92/10/21/1205921021.db2.gz SPGLHYSGADWQFH-WUXMJOGZSA-N -1 3 334.376 2.160 20 5 EEBDHM O=C(CCCC1CC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097240165 1243868682 /nfs/dbraw/zinc/86/86/82/1243868682.db2.gz DDERBFHSNUYFBV-TXEJJXNPSA-N -1 3 334.376 2.335 20 5 EEBDHM O=C(NCCN(c1ccc([N+](=O)[O-])cn1)C1CC1)c1ccccc1[O-] ZINC001101283674 1245609316 /nfs/dbraw/zinc/60/93/16/1245609316.db2.gz RYDPUZKDLSZIDN-UHFFFAOYSA-N -1 3 342.355 2.094 20 5 EEBDHM Cc1csc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001101592835 1246000189 /nfs/dbraw/zinc/00/01/89/1246000189.db2.gz QVXMGCSMQQTSSQ-UHFFFAOYSA-N -1 3 336.373 2.249 20 5 EEBDHM Cc1c(F)cccc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102010400 1300136101 /nfs/dbraw/zinc/13/61/01/1300136101.db2.gz WFMDPGUURIBCRE-UHFFFAOYSA-N -1 3 348.334 2.327 20 5 EEBDHM CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102195737 1300544290 /nfs/dbraw/zinc/54/42/90/1300544290.db2.gz VQQHZNJKRFPUFA-YHDXHSTISA-N -1 3 346.387 2.231 20 5 EEBDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663049 1301115541 /nfs/dbraw/zinc/11/55/41/1301115541.db2.gz XWMNSZBVXLNJLP-AOOOYVTPSA-N -1 3 339.348 2.472 20 5 EEBDHM O=[N+]([O-])c1cnc(OC[C@@H]2COc3cscc3O2)c2[n-]cnc21 ZINC001227691462 1301930554 /nfs/dbraw/zinc/93/05/54/1301930554.db2.gz OSVHGNBJXLXUOU-ZETCQYMHSA-N -1 3 334.313 2.146 20 5 EEBDHM CCOC(=O)N1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744588 1301950491 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Cc1nnc(SCc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC001609461460 1351986337 /nfs/dbraw/zinc/98/63/37/1351986337.db2.gz BJAXEBMNZKNEBI-UHFFFAOYSA-N -1 3 343.372 2.474 20 5 EEBDHM Cc1nnc(SCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC001609461460 1351986341 /nfs/dbraw/zinc/98/63/41/1351986341.db2.gz BJAXEBMNZKNEBI-UHFFFAOYSA-N -1 3 343.372 2.474 20 5 EEBDHM O=C(CCC(F)F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001609521793 1352003666 /nfs/dbraw/zinc/00/36/66/1352003666.db2.gz NBVCJAIKOMMGPQ-UHFFFAOYSA-N -1 3 346.681 2.412 20 5 EEBDHM O=C(CCC(F)F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001609521793 1352003668 /nfs/dbraw/zinc/00/36/68/1352003668.db2.gz NBVCJAIKOMMGPQ-UHFFFAOYSA-N -1 3 346.681 2.412 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nnn[n-]3)cc2F)nc1C1CC1 ZINC001609603656 1352032588 /nfs/dbraw/zinc/03/25/88/1352032588.db2.gz VKEBJDYJYSHMCD-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nn[n-]n3)cc2F)nc1C1CC1 ZINC001609603656 1352032592 /nfs/dbraw/zinc/03/25/92/1352032592.db2.gz VKEBJDYJYSHMCD-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM CC1(C)C[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001590081262 1349142221 /nfs/dbraw/zinc/14/22/21/1349142221.db2.gz UNYNDRZOXYBJQM-SNVBAGLBSA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)C[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001590081262 1349142225 /nfs/dbraw/zinc/14/22/25/1349142225.db2.gz UNYNDRZOXYBJQM-SNVBAGLBSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H]1CC(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590191170 1349192242 /nfs/dbraw/zinc/19/22/42/1349192242.db2.gz UOCMRBWLFKZRSZ-NXEZZACHSA-N -1 3 347.379 2.176 20 5 EEBDHM C[C@@H]1CC(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590191170 1349192247 /nfs/dbraw/zinc/19/22/47/1349192247.db2.gz UOCMRBWLFKZRSZ-NXEZZACHSA-N -1 3 347.379 2.176 20 5 EEBDHM COCC1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001591388990 1349480735 /nfs/dbraw/zinc/48/07/35/1349480735.db2.gz KGBYOHQRWBWUSA-UHFFFAOYSA-N -1 3 336.327 2.143 20 5 EEBDHM COCC1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001591388990 1349480739 /nfs/dbraw/zinc/48/07/39/1349480739.db2.gz KGBYOHQRWBWUSA-UHFFFAOYSA-N -1 3 336.327 2.143 20 5 EEBDHM Cc1cc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)no1 ZINC001591959593 1349568653 /nfs/dbraw/zinc/56/86/53/1349568653.db2.gz SBGGZVXAPYVQSS-CYBMUJFWSA-N -1 3 341.331 2.413 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592756565 1349712877 /nfs/dbraw/zinc/71/28/77/1349712877.db2.gz BFUCXBKQHUHWIP-SSDOTTSWSA-N -1 3 339.306 2.347 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592756565 1349712878 /nfs/dbraw/zinc/71/28/78/1349712878.db2.gz BFUCXBKQHUHWIP-SSDOTTSWSA-N -1 3 339.306 2.347 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCC1 ZINC001593291193 1349766658 /nfs/dbraw/zinc/76/66/58/1349766658.db2.gz CKXSIFCGFDPMPQ-NWDGAFQWSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCC1 ZINC001593291193 1349766662 /nfs/dbraw/zinc/76/66/62/1349766662.db2.gz CKXSIFCGFDPMPQ-NWDGAFQWSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCCC12CC2 ZINC001593291407 1349767881 /nfs/dbraw/zinc/76/78/81/1349767881.db2.gz OFOXKNQZQBIXFI-LBPRGKRZSA-N -1 3 343.343 2.398 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCCC12CC2 ZINC001593291407 1349767886 /nfs/dbraw/zinc/76/78/86/1349767886.db2.gz OFOXKNQZQBIXFI-LBPRGKRZSA-N -1 3 343.343 2.398 20 5 EEBDHM O=C(c1csc(-c2nnn[n-]2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001593370229 1349791405 /nfs/dbraw/zinc/79/14/05/1349791405.db2.gz OHXQOFRWFJBELO-UHFFFAOYSA-N -1 3 342.340 2.039 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c(O)cccc2C1 ZINC001593468143 1349804694 /nfs/dbraw/zinc/80/46/94/1349804694.db2.gz JIAPMCGOTOUDTJ-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c(O)cccc2C1 ZINC001593468143 1349804697 /nfs/dbraw/zinc/80/46/97/1349804697.db2.gz JIAPMCGOTOUDTJ-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CSc2ccccc21 ZINC001593470564 1349806361 /nfs/dbraw/zinc/80/63/61/1349806361.db2.gz IMHRGEYSMQRWFQ-SNVBAGLBSA-N -1 3 341.356 2.429 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CSc2ccccc21 ZINC001593470564 1349806362 /nfs/dbraw/zinc/80/63/62/1349806362.db2.gz IMHRGEYSMQRWFQ-SNVBAGLBSA-N -1 3 341.356 2.429 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCNc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC001593472118 1349806788 /nfs/dbraw/zinc/80/67/88/1349806788.db2.gz VPIDNWUUQKBTCQ-UHFFFAOYSA-N -1 3 337.343 2.207 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCSCC(F)(F)F ZINC001593475660 1349809112 /nfs/dbraw/zinc/80/91/12/1349809112.db2.gz RJJJJPVPUVZCPO-UHFFFAOYSA-N -1 3 348.310 2.482 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCSCC(F)(F)F ZINC001593475660 1349809113 /nfs/dbraw/zinc/80/91/13/1349809113.db2.gz RJJJJPVPUVZCPO-UHFFFAOYSA-N -1 3 348.310 2.482 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001593476740 1349810607 /nfs/dbraw/zinc/81/06/07/1349810607.db2.gz XIXSYMKBQHWEBB-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001593476740 1349810613 /nfs/dbraw/zinc/81/06/13/1349810613.db2.gz XIXSYMKBQHWEBB-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC[C@H]1CCCOC1 ZINC001593482739 1349814339 /nfs/dbraw/zinc/81/43/39/1349814339.db2.gz RCTOUSKBFAVXNH-JTQLQIEISA-N -1 3 335.389 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC[C@H]1CCCOC1 ZINC001593482739 1349814342 /nfs/dbraw/zinc/81/43/42/1349814342.db2.gz RCTOUSKBFAVXNH-JTQLQIEISA-N -1 3 335.389 2.435 20 5 EEBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001593485198 1349814663 /nfs/dbraw/zinc/81/46/63/1349814663.db2.gz NBFNHTJLKPECEV-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001593485198 1349814667 /nfs/dbraw/zinc/81/46/67/1349814667.db2.gz NBFNHTJLKPECEV-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001602172668 1350457476 /nfs/dbraw/zinc/45/74/76/1350457476.db2.gz HJRHUOPUSVORPB-OLZOCXBDSA-N -1 3 346.343 2.378 20 5 EEBDHM CC(C)O[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(C)C ZINC001603346943 1350692852 /nfs/dbraw/zinc/69/28/52/1350692852.db2.gz GYZPAVZYZGDKMH-RYUDHWBXSA-N -1 3 347.379 2.174 20 5 EEBDHM CC(C)O[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC001603346943 1350692859 /nfs/dbraw/zinc/69/28/59/1350692859.db2.gz GYZPAVZYZGDKMH-RYUDHWBXSA-N -1 3 347.379 2.174 20 5 EEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCCS1 ZINC001603806350 1350772944 /nfs/dbraw/zinc/77/29/44/1350772944.db2.gz HOYXSCIJPIEHDY-ZDUSSCGKSA-N -1 3 335.393 2.055 20 5 EEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCCS1 ZINC001603806350 1350772946 /nfs/dbraw/zinc/77/29/46/1350772946.db2.gz HOYXSCIJPIEHDY-ZDUSSCGKSA-N -1 3 335.393 2.055 20 5 EEBDHM C[C@H]1CC[C@]2(CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1 ZINC001603879374 1350790582 /nfs/dbraw/zinc/79/05/82/1350790582.db2.gz BPMCADWTTILDCQ-BONVTDFDSA-N -1 3 329.364 2.186 20 5 EEBDHM C[C@H]1CC[C@]2(CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)C1 ZINC001603879374 1350790585 /nfs/dbraw/zinc/79/05/85/1350790585.db2.gz BPMCADWTTILDCQ-BONVTDFDSA-N -1 3 329.364 2.186 20 5 EEBDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001604510456 1350952478 /nfs/dbraw/zinc/95/24/78/1350952478.db2.gz WHFCZDLPIKWXCZ-UHFFFAOYSA-N -1 3 333.348 2.170 20 5 EEBDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001604510456 1350952479 /nfs/dbraw/zinc/95/24/79/1350952479.db2.gz WHFCZDLPIKWXCZ-UHFFFAOYSA-N -1 3 333.348 2.170 20 5 EEBDHM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001604813333 1351013239 /nfs/dbraw/zinc/01/32/39/1351013239.db2.gz OUCSPXDGFTTZIP-LLVKDONJSA-N -1 3 334.376 2.141 20 5 EEBDHM CO[C@](C)([C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001604998011 1351049189 /nfs/dbraw/zinc/04/91/89/1351049189.db2.gz OQEQERCMJBOMKG-BJOHPYRUSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@](C)([C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001604998011 1351049191 /nfs/dbraw/zinc/04/91/91/1351049191.db2.gz OQEQERCMJBOMKG-BJOHPYRUSA-N -1 3 332.364 2.390 20 5 EEBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001605440304 1351158278 /nfs/dbraw/zinc/15/82/78/1351158278.db2.gz DAYKVMHKYVIYNB-JTQLQIEISA-N -1 3 340.343 2.331 20 5 EEBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001605440304 1351158280 /nfs/dbraw/zinc/15/82/80/1351158280.db2.gz DAYKVMHKYVIYNB-JTQLQIEISA-N -1 3 340.343 2.331 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CC2(CCC2)CO1 ZINC001607076653 1351407070 /nfs/dbraw/zinc/40/70/70/1351407070.db2.gz AFQBERUVCLTAQB-SECBINFHSA-N -1 3 348.338 2.285 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CC2(CCC2)CO1 ZINC001607076653 1351407072 /nfs/dbraw/zinc/40/70/72/1351407072.db2.gz AFQBERUVCLTAQB-SECBINFHSA-N -1 3 348.338 2.285 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1ccnc(F)c1 ZINC001607078076 1351407845 /nfs/dbraw/zinc/40/78/45/1351407845.db2.gz ZKFZDAKNRHXKKR-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1ccnc(F)c1 ZINC001607078076 1351407847 /nfs/dbraw/zinc/40/78/47/1351407847.db2.gz ZKFZDAKNRHXKKR-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM CCC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCOCC1 ZINC001590495910 1403881436 /nfs/dbraw/zinc/88/14/36/1403881436.db2.gz KQFDBLUPLRSPAA-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM Cc1cccc(C)c1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100337887 1410638743 /nfs/dbraw/zinc/63/87/43/1410638743.db2.gz ZJJWNRNLOKGMHP-UHFFFAOYSA-N -1 3 344.371 2.178 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C(F)F ZINC001106941309 779276517 /nfs/dbraw/zinc/27/65/17/779276517.db2.gz 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EEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000023400711 463066064 /nfs/dbraw/zinc/06/60/64/463066064.db2.gz JEMZYAOLEKJAHE-SNVBAGLBSA-N -1 3 337.357 2.038 20 5 EEBDHM O=C(c1cccc([O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078263662 463097134 /nfs/dbraw/zinc/09/71/34/463097134.db2.gz MBIVLGFXJXBVCV-UHFFFAOYSA-N -1 3 327.340 2.263 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000097161619 463339089 /nfs/dbraw/zinc/33/90/89/463339089.db2.gz DNVQINBKSITLCR-MRVPVSSYSA-N -1 3 327.387 2.399 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000069870074 463342110 /nfs/dbraw/zinc/34/21/10/463342110.db2.gz IFLDHHMCVRCNCY-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000080727420 463351086 /nfs/dbraw/zinc/35/10/86/463351086.db2.gz RGKGZABKWAFARC-SNVBAGLBSA-N -1 3 338.389 2.481 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000080817864 463361099 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CC(C)CSCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609096975 1351841548 /nfs/dbraw/zinc/84/15/48/1351841548.db2.gz PHRNNUANBCYRNG-UHFFFAOYSA-N -1 3 337.409 2.361 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC001323931888 1333574649 /nfs/dbraw/zinc/57/46/49/1333574649.db2.gz RPTLQRGBBJHWMN-UHFFFAOYSA-N -1 3 331.328 2.117 20 5 EEBDHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609141301 1351859225 /nfs/dbraw/zinc/85/92/25/1351859225.db2.gz JZTXJWPFKCIHAA-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@H](c1cccnc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609141301 1351859229 /nfs/dbraw/zinc/85/92/29/1351859229.db2.gz JZTXJWPFKCIHAA-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM CCC[C@]1(CO)CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609207233 1351891905 /nfs/dbraw/zinc/89/19/05/1351891905.db2.gz ZHZWXAXQDYEJFH-INIZCTEOSA-N -1 3 346.391 2.072 20 5 EEBDHM CCC[C@]1(CO)CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609207233 1351891908 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C[C@H](CCO)C1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000824407650 788146382 /nfs/dbraw/zinc/14/63/82/788146382.db2.gz YOFKNMOLLAQTNA-LLVKDONJSA-N -1 3 346.391 2.376 20 5 EEBDHM CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001064506267 793236907 /nfs/dbraw/zinc/23/69/07/793236907.db2.gz KVKUDKZGXFAHTR-TXEJJXNPSA-N -1 3 334.376 2.065 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cc2occc2s1 ZINC001094138037 795951875 /nfs/dbraw/zinc/95/18/75/795951875.db2.gz CHIOMHUJYPJINT-UHFFFAOYSA-N -1 3 348.340 2.345 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc(C)oc1C ZINC001106669609 796081265 /nfs/dbraw/zinc/08/12/65/796081265.db2.gz YICSOSDHMYHFFF-UHFFFAOYSA-N -1 3 348.359 2.479 20 5 EEBDHM CCc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001094880291 796900665 /nfs/dbraw/zinc/90/06/65/796900665.db2.gz WNGWKSNPCGWLMI-UHFFFAOYSA-N -1 3 334.332 2.083 20 5 EEBDHM CC/C=C(/C)C(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095168998 797456754 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342.363 2.240 20 5 EEBDHM CC(C)Cn1ccnc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820107758 607345533 /nfs/dbraw/zinc/34/55/33/607345533.db2.gz BERCLQVAIZXUMX-UHFFFAOYSA-N -1 3 342.363 2.240 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000823652295 599370832 /nfs/dbraw/zinc/37/08/32/599370832.db2.gz ZAUWGNVFYIWUDG-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000823652295 599370834 /nfs/dbraw/zinc/37/08/34/599370834.db2.gz ZAUWGNVFYIWUDG-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM CC(C)C[C@@H]1COCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820068574 606480468 /nfs/dbraw/zinc/48/04/68/606480468.db2.gz SLFUSHOLTSFYFN-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)C[C@@H]1COCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820068574 606480469 /nfs/dbraw/zinc/48/04/69/606480469.db2.gz SLFUSHOLTSFYFN-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639905 607133713 /nfs/dbraw/zinc/13/37/13/607133713.db2.gz LKBUUXNIVDIUIA-SNVBAGLBSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639905 607133715 /nfs/dbraw/zinc/13/37/15/607133715.db2.gz LKBUUXNIVDIUIA-SNVBAGLBSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3c(F)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000826498803 607936861 /nfs/dbraw/zinc/93/68/61/607936861.db2.gz KFNNCPMYRLQUEG-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3c(F)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000826498803 607936862 /nfs/dbraw/zinc/93/68/62/607936862.db2.gz KFNNCPMYRLQUEG-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824521612 608433314 /nfs/dbraw/zinc/43/33/14/608433314.db2.gz LUKYUIGRJLDNAY-QMMMGPOBSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824521612 608433317 /nfs/dbraw/zinc/43/33/17/608433317.db2.gz LUKYUIGRJLDNAY-QMMMGPOBSA-N -1 3 344.356 2.327 20 5 EEBDHM O=[N+]([O-])c1cccnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826501053 608442861 /nfs/dbraw/zinc/44/28/61/608442861.db2.gz XLYXXDWVKZJVJN-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1cccnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826501053 608442863 /nfs/dbraw/zinc/44/28/63/608442863.db2.gz XLYXXDWVKZJVJN-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([C@H]2CCOC2)CC1 ZINC000826497590 609593817 /nfs/dbraw/zinc/59/38/17/609593817.db2.gz MOHKGQFBQLLVQQ-ZDUSSCGKSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([C@H]2CCOC2)CC1 ZINC000826497590 609593819 /nfs/dbraw/zinc/59/38/19/609593819.db2.gz MOHKGQFBQLLVQQ-ZDUSSCGKSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000050015891 676203553 /nfs/dbraw/zinc/20/35/53/676203553.db2.gz DDZULYNXDGBMKA-UHFFFAOYSA-N -1 3 327.749 2.122 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001059544692 686596595 /nfs/dbraw/zinc/59/65/95/686596595.db2.gz NMCYMSDPGKDSME-TXEJJXNPSA-N -1 3 346.318 2.207 20 5 EEBDHM Cc1csc(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC001059629248 687547151 /nfs/dbraw/zinc/54/71/51/687547151.db2.gz ADMUHIAFKCFYMV-AOOOYVTPSA-N -1 3 348.384 2.438 20 5 EEBDHM O=[N+]([O-])c1cccc(CSCCc2nnn[n-]2)c1Br ZINC000882191002 1201828418 /nfs/dbraw/zinc/82/84/18/1201828418.db2.gz SZPJTCKXUDFTMB-UHFFFAOYSA-N -1 3 344.194 2.346 20 5 EEBDHM O=[N+]([O-])c1cccc(CSCCc2nn[n-]n2)c1Br ZINC000882191002 1201828420 /nfs/dbraw/zinc/82/84/20/1201828420.db2.gz SZPJTCKXUDFTMB-UHFFFAOYSA-N -1 3 344.194 2.346 20 5 EEBDHM Cc1cc(C)c(C(=O)NCCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001095528639 1205858698 /nfs/dbraw/zinc/85/86/98/1205858698.db2.gz DJFBPDILQVZSCG-UHFFFAOYSA-N -1 3 348.359 2.162 20 5 EEBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)CC2CC2)CC1 ZINC001067232160 1224947627 /nfs/dbraw/zinc/94/76/27/1224947627.db2.gz WLQFTRVPIWMAJU-UHFFFAOYSA-N -1 3 334.376 2.289 20 5 EEBDHM O=C(CCC1CCC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097173041 1243784379 /nfs/dbraw/zinc/78/43/79/1243784379.db2.gz SEFNJOIMDRIPAB-TXEJJXNPSA-N -1 3 334.376 2.335 20 5 EEBDHM Cc1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001101590940 1245997813 /nfs/dbraw/zinc/99/78/13/1245997813.db2.gz VOTHLVDEZCHYIE-UHFFFAOYSA-N -1 3 330.344 2.188 20 5 EEBDHM CC(C)(CC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001055797255 1250827448 /nfs/dbraw/zinc/82/74/48/1250827448.db2.gz NJEFKUPZFQTQRU-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM CCCC(=O)N1C[C@@]2(C)CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001068413437 1250996022 /nfs/dbraw/zinc/99/60/22/1250996022.db2.gz BOLRQDDKCRASHO-CALCHBBNSA-N -1 3 348.403 2.170 20 5 EEBDHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000853866897 1292497949 /nfs/dbraw/zinc/49/79/49/1292497949.db2.gz BVEVWQUUFGMRGT-SECBINFHSA-N -1 3 340.286 2.177 20 5 EEBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228686536 1302381176 /nfs/dbraw/zinc/38/11/76/1302381176.db2.gz NZSQPQFQNSXBBV-SNVBAGLBSA-N -1 3 339.348 2.392 20 5 EEBDHM Cc1ncc(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)c(=O)[n-]1 ZINC001162306270 1320816492 /nfs/dbraw/zinc/81/64/92/1320816492.db2.gz VGNQPWFKNXFOQV-JTQLQIEISA-N -1 3 332.707 2.001 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001321833720 1333165274 /nfs/dbraw/zinc/16/52/74/1333165274.db2.gz CVSBNDCEMFSPSL-JTQLQIEISA-N -1 3 330.344 2.209 20 5 EEBDHM CCCCCOC1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609209446 1351892899 /nfs/dbraw/zinc/89/28/99/1351892899.db2.gz HKVMZLSNZLNNPS-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM CCCCCOC1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609209446 1351892902 /nfs/dbraw/zinc/89/29/02/1351892902.db2.gz HKVMZLSNZLNNPS-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCCCCO3)cc(-c3nnn[n-]3)c2c1 ZINC001609601995 1352031975 /nfs/dbraw/zinc/03/19/75/1352031975.db2.gz AQPIBHULMNDXCP-UHFFFAOYSA-N -1 3 341.331 2.245 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCCCCO3)cc(-c3nn[n-]n3)c2c1 ZINC001609601995 1352031977 /nfs/dbraw/zinc/03/19/77/1352031977.db2.gz AQPIBHULMNDXCP-UHFFFAOYSA-N -1 3 341.331 2.245 20 5 EEBDHM CC(C)CCO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589607167 1349009710 /nfs/dbraw/zinc/00/97/10/1349009710.db2.gz HMHWZAIMGLMGSE-CYBMUJFWSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)COC1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001589640475 1349014909 /nfs/dbraw/zinc/01/49/09/1349014909.db2.gz OPRQYTJQBUMXCN-UHFFFAOYSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)COC1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001589640475 1349014912 /nfs/dbraw/zinc/01/49/12/1349014912.db2.gz OPRQYTJQBUMXCN-UHFFFAOYSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@@H](c1cccnc1)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590050168 1349130305 /nfs/dbraw/zinc/13/03/05/1349130305.db2.gz ISEBCSNTMJGINA-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@@H](c1cccnc1)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590050168 1349130307 /nfs/dbraw/zinc/13/03/07/1349130307.db2.gz ISEBCSNTMJGINA-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590311303 1349258182 /nfs/dbraw/zinc/25/81/82/1349258182.db2.gz CDSXAIBKUXMBJO-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590311303 1349258189 /nfs/dbraw/zinc/25/81/89/1349258189.db2.gz CDSXAIBKUXMBJO-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM CCc1nn(C)c(Sc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC001590928847 1349415678 /nfs/dbraw/zinc/41/56/78/1349415678.db2.gz GAXIJWWJADGGSC-UHFFFAOYSA-N -1 3 349.351 2.361 20 5 EEBDHM CCc1nn(C)c(Sc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC001590928847 1349415683 /nfs/dbraw/zinc/41/56/83/1349415683.db2.gz GAXIJWWJADGGSC-UHFFFAOYSA-N -1 3 349.351 2.361 20 5 EEBDHM COC(=O)c1cccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001591302917 1349457927 /nfs/dbraw/zinc/45/79/27/1349457927.db2.gz KZIITAHRZGAUHQ-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM COC(=O)c1cccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001591302917 1349457931 /nfs/dbraw/zinc/45/79/31/1349457931.db2.gz KZIITAHRZGAUHQ-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM Cc1cc(NC[C@@H]2CCC[C@H](O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044768 1349587292 /nfs/dbraw/zinc/58/72/92/1349587292.db2.gz RSMFHIVTOKQBDA-MNOVXSKESA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1cc(NC[C@@H]2CCC[C@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044768 1349587295 /nfs/dbraw/zinc/58/72/95/1349587295.db2.gz RSMFHIVTOKQBDA-MNOVXSKESA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592197216 1349604240 /nfs/dbraw/zinc/60/42/40/1349604240.db2.gz BPNUXRKONOEOHB-UHFFFAOYSA-N -1 3 339.311 2.345 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592197216 1349604245 /nfs/dbraw/zinc/60/42/45/1349604245.db2.gz BPNUXRKONOEOHB-UHFFFAOYSA-N -1 3 339.311 2.345 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3CCCC[C@H]3C2)c1-c1nnn[n-]1 ZINC001592755922 1349712656 /nfs/dbraw/zinc/71/26/56/1349712656.db2.gz DLFQZODYMZJWAO-MNOVXSKESA-N -1 3 343.391 2.374 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC001592755922 1349712657 /nfs/dbraw/zinc/71/26/57/1349712657.db2.gz DLFQZODYMZJWAO-MNOVXSKESA-N -1 3 343.391 2.374 20 5 EEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593293039 1349768109 /nfs/dbraw/zinc/76/81/09/1349768109.db2.gz ASBYTGZPTWCVJW-UHFFFAOYSA-N -1 3 348.706 2.113 20 5 EEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593293039 1349768111 /nfs/dbraw/zinc/76/81/11/1349768111.db2.gz ASBYTGZPTWCVJW-UHFFFAOYSA-N -1 3 348.706 2.113 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001593302232 1349774094 /nfs/dbraw/zinc/77/40/94/1349774094.db2.gz KMORHGFZFWQBTN-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001593302232 1349774097 /nfs/dbraw/zinc/77/40/97/1349774097.db2.gz KMORHGFZFWQBTN-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001593415460 1349798827 /nfs/dbraw/zinc/79/88/27/1349798827.db2.gz IOLQOSFWNFWMIX-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001593415460 1349798840 /nfs/dbraw/zinc/79/88/40/1349798840.db2.gz IOLQOSFWNFWMIX-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1[C@H]1CCCOC1 ZINC001593469178 1349804457 /nfs/dbraw/zinc/80/44/57/1349804457.db2.gz ZKUXQTMVOMAGAN-STQMWFEESA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1[C@H]1CCCOC1 ZINC001593469178 1349804462 /nfs/dbraw/zinc/80/44/62/1349804462.db2.gz ZKUXQTMVOMAGAN-STQMWFEESA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC001593473412 1349808534 /nfs/dbraw/zinc/80/85/34/1349808534.db2.gz BEPMLGAGLXHZIR-BNOWGMLFSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@]2(CCCOC2)C1 ZINC001593475333 1349809183 /nfs/dbraw/zinc/80/91/83/1349809183.db2.gz OGISRHKKPMDSBE-MRXNPFEDSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@]2(CCCOC2)C1 ZINC001593475333 1349809187 /nfs/dbraw/zinc/80/91/87/1349809187.db2.gz OGISRHKKPMDSBE-MRXNPFEDSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001593475469 1349809315 /nfs/dbraw/zinc/80/93/15/1349809315.db2.gz LFFANRNSICXLKH-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001593475469 1349809316 /nfs/dbraw/zinc/80/93/16/1349809316.db2.gz LFFANRNSICXLKH-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1cnn(-c2ccccn2)c1 ZINC001593483538 1349813597 /nfs/dbraw/zinc/81/35/97/1349813597.db2.gz UKFOVTVIYLVUIU-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1cnn(-c2ccccn2)c1 ZINC001593483538 1349813599 /nfs/dbraw/zinc/81/35/99/1349813599.db2.gz UKFOVTVIYLVUIU-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=[N+]([O-])c1cccc([C@H](O)COc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001593483182 1349813617 /nfs/dbraw/zinc/81/36/17/1349813617.db2.gz LYSJCCSRVNJKTL-CQSZACIVSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc([C@H](O)COc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001593483182 1349813619 /nfs/dbraw/zinc/81/36/19/1349813619.db2.gz LYSJCCSRVNJKTL-CQSZACIVSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593483811 1349813787 /nfs/dbraw/zinc/81/37/87/1349813787.db2.gz KNPOLMJSALMOCJ-UHFFFAOYSA-N -1 3 327.300 2.233 20 5 EEBDHM CC(C)C[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603271042 1350676373 /nfs/dbraw/zinc/67/63/73/1350676373.db2.gz UYLLOZVATVAYOP-AWEZNQCLSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603271042 1350676378 /nfs/dbraw/zinc/67/63/78/1350676378.db2.gz UYLLOZVATVAYOP-AWEZNQCLSA-N -1 3 346.391 2.022 20 5 EEBDHM C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001603725779 1350751010 /nfs/dbraw/zinc/75/10/10/1350751010.db2.gz PLSDMLDIQOGYCM-ZETCQYMHSA-N -1 3 344.360 2.000 20 5 EEBDHM C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001603725779 1350751014 /nfs/dbraw/zinc/75/10/14/1350751014.db2.gz PLSDMLDIQOGYCM-ZETCQYMHSA-N -1 3 344.360 2.000 20 5 EEBDHM CC1(C)CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001603778091 1350765639 /nfs/dbraw/zinc/76/56/39/1350765639.db2.gz AMJWPZHCFUNGPV-UHFFFAOYSA-N -1 3 334.405 2.497 20 5 EEBDHM CC1(C)CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001603778091 1350765640 /nfs/dbraw/zinc/76/56/40/1350765640.db2.gz AMJWPZHCFUNGPV-UHFFFAOYSA-N -1 3 334.405 2.497 20 5 EEBDHM CCC1(CC)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001604084391 1350850993 /nfs/dbraw/zinc/85/09/93/1350850993.db2.gz KDZCWHVJFQOEMN-UHFFFAOYSA-N -1 3 349.420 2.282 20 5 EEBDHM CCC1(CC)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001604084391 1350850996 /nfs/dbraw/zinc/85/09/96/1350850996.db2.gz KDZCWHVJFQOEMN-UHFFFAOYSA-N -1 3 349.420 2.282 20 5 EEBDHM Cc1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])no1 ZINC001605653106 1351210900 /nfs/dbraw/zinc/21/09/00/1351210900.db2.gz ZKRNSZYZWGEZIX-GFCCVEGCSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])no1 ZINC001605653106 1351210903 /nfs/dbraw/zinc/21/09/03/1351210903.db2.gz ZKRNSZYZWGEZIX-GFCCVEGCSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1ccc(SCCn2cc([N+](=O)[O-])cn2)c(-c2nnn[n-]2)c1 ZINC001605884277 1351246190 /nfs/dbraw/zinc/24/61/90/1351246190.db2.gz VPJHTQIYEWWKPZ-UHFFFAOYSA-N -1 3 331.361 2.072 20 5 EEBDHM Cc1ccc(SCCn2cc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)c1 ZINC001605884277 1351246195 /nfs/dbraw/zinc/24/61/95/1351246195.db2.gz VPJHTQIYEWWKPZ-UHFFFAOYSA-N -1 3 331.361 2.072 20 5 EEBDHM O=[N+]([O-])c1ccsc1N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001607085117 1351412121 /nfs/dbraw/zinc/41/21/21/1351412121.db2.gz JWWWUHYJRRYWGH-UHFFFAOYSA-N -1 3 344.356 2.104 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC2(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC001607086823 1351412539 /nfs/dbraw/zinc/41/25/39/1351412539.db2.gz SDSUHVNCARMINP-UHFFFAOYSA-N -1 3 337.343 2.314 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC2(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC001607086823 1351412545 /nfs/dbraw/zinc/41/25/45/1351412545.db2.gz SDSUHVNCARMINP-UHFFFAOYSA-N -1 3 337.343 2.314 20 5 EEBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000837474965 1372787146 /nfs/dbraw/zinc/78/71/46/1372787146.db2.gz NPVFLTJUBQBXJV-UHFFFAOYSA-N -1 3 333.275 2.464 20 5 EEBDHM COc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591650459 1403935068 /nfs/dbraw/zinc/93/50/68/1403935068.db2.gz QXHRSNHSDUOUCL-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591650459 1403935085 /nfs/dbraw/zinc/93/50/85/1403935085.db2.gz QXHRSNHSDUOUCL-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM Cc1cc(N2CCO[C@@](C)(C3CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605699779 1404750104 /nfs/dbraw/zinc/75/01/04/1404750104.db2.gz GZHZKNWGUGWWED-MRXNPFEDSA-N -1 3 344.375 2.089 20 5 EEBDHM Cc1cc(N2CCO[C@@](C)(C3CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605699779 1404750106 /nfs/dbraw/zinc/75/01/06/1404750106.db2.gz GZHZKNWGUGWWED-MRXNPFEDSA-N -1 3 344.375 2.089 20 5 EEBDHM Cc1cc(N2CCO[C@](C)(C3CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605699777 1404750296 /nfs/dbraw/zinc/75/02/96/1404750296.db2.gz GZHZKNWGUGWWED-INIZCTEOSA-N -1 3 344.375 2.089 20 5 EEBDHM Cc1cc(N2CCO[C@](C)(C3CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605699777 1404750300 /nfs/dbraw/zinc/75/03/00/1404750300.db2.gz GZHZKNWGUGWWED-INIZCTEOSA-N -1 3 344.375 2.089 20 5 EEBDHM CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001061906850 785163588 /nfs/dbraw/zinc/16/35/88/785163588.db2.gz MTPSOWRZIDLBAK-TXEJJXNPSA-N -1 3 348.403 2.311 20 5 EEBDHM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001062013782 787218668 /nfs/dbraw/zinc/21/86/68/787218668.db2.gz HPKKOOHZSFSUPD-TXEJJXNPSA-N -1 3 346.387 2.065 20 5 EEBDHM CCCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107492812 787433578 /nfs/dbraw/zinc/43/35/78/787433578.db2.gz UFGSEKABMGKZES-ONEGZZNKSA-N -1 3 334.376 2.360 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cc2ccccc2o1 ZINC001093615634 795454401 /nfs/dbraw/zinc/45/44/01/795454401.db2.gz ZZADKRPASYFNOQ-UHFFFAOYSA-N -1 3 342.311 2.284 20 5 EEBDHM Cc1cc(NCCNC(=O)c2cccc3n[n-]nc32)ccc1[N+](=O)[O-] ZINC001093897251 795793195 /nfs/dbraw/zinc/79/31/95/795793195.db2.gz REIGNLQJOMNLPC-UHFFFAOYSA-N -1 3 340.343 2.016 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(F)=C(C)C ZINC001106729732 796332129 /nfs/dbraw/zinc/33/21/29/796332129.db2.gz NLKHKRJVKDVLLZ-UHFFFAOYSA-N -1 3 326.328 2.219 20 5 EEBDHM Cc1cc(NC2(CNC(=O)c3ccccc3[O-])CC2)ncc1[N+](=O)[O-] ZINC001110075684 806498628 /nfs/dbraw/zinc/49/86/28/806498628.db2.gz IVVSLRGZNYCKRQ-UHFFFAOYSA-N -1 3 342.355 2.378 20 5 EEBDHM CC/C(C)=C/C(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095178206 797487931 /nfs/dbraw/zinc/48/79/31/797487931.db2.gz PCPJWCKJGHKTTL-VAWYXSNFSA-N -1 3 334.376 2.090 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000826173875 947538355 /nfs/dbraw/zinc/53/83/55/947538355.db2.gz YWNLUVFZWSGFLJ-UHFFFAOYSA-N -1 3 342.315 2.066 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000826173875 947538362 /nfs/dbraw/zinc/53/83/62/947538362.db2.gz YWNLUVFZWSGFLJ-UHFFFAOYSA-N -1 3 342.315 2.066 20 5 EEBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ncc([N+](=O)[O-])s1 ZINC001575512136 949137898 /nfs/dbraw/zinc/13/78/98/949137898.db2.gz MTWZPRBBYNDOEF-MRVPVSSYSA-N -1 3 331.361 2.429 20 5 EEBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ncc([N+](=O)[O-])s1 ZINC001575512136 949137908 /nfs/dbraw/zinc/13/79/08/949137908.db2.gz MTWZPRBBYNDOEF-MRVPVSSYSA-N -1 3 331.361 2.429 20 5 EEBDHM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589438831 986767576 /nfs/dbraw/zinc/76/75/76/986767576.db2.gz QMLCIECDTKXFBF-PEBVRCNWSA-N -1 3 347.371 2.109 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)c1 ZINC000047542772 201108655 /nfs/dbraw/zinc/10/86/55/201108655.db2.gz YGYMOJYVEWILDG-UHFFFAOYSA-N -1 3 327.749 2.122 20 5 EEBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000262308228 201202458 /nfs/dbraw/zinc/20/24/58/201202458.db2.gz YNOQMNVRMHAAHS-KYOSRNDESA-N -1 3 347.371 2.251 20 5 EEBDHM COc1cc(CNC[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000101590889 204013920 /nfs/dbraw/zinc/01/39/20/204013920.db2.gz IJKALIQVGPYTIV-OAHLLOKOSA-N -1 3 336.319 2.271 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(F)(F)F)c1C ZINC000353832586 292291925 /nfs/dbraw/zinc/29/19/25/292291925.db2.gz FAQHXGROBTVFID-UHFFFAOYSA-N -1 3 342.295 2.026 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCCO2)c1C ZINC000120211969 159389070 /nfs/dbraw/zinc/38/90/70/159389070.db2.gz PKRRGGIWAMYZJZ-AAEUAGOBSA-N -1 3 342.417 2.448 20 5 EEBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccccc1[O-] ZINC000340122453 160899657 /nfs/dbraw/zinc/89/96/57/160899657.db2.gz BLMBBGYBOQJMOU-SNVBAGLBSA-N -1 3 333.348 2.172 20 5 EEBDHM COc1ccc([N-]C(=O)c2cnc3nccnc3c2)c([N+](=O)[O-])c1 ZINC000352385938 162116117 /nfs/dbraw/zinc/11/61/17/162116117.db2.gz PIZMJZYVIADROI-UHFFFAOYSA-N -1 3 325.284 2.194 20 5 EEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000280827317 269393204 /nfs/dbraw/zinc/39/32/04/269393204.db2.gz VTDBYQBWBSXPRG-GMSGAONNSA-N -1 3 349.206 2.434 20 5 EEBDHM COC(=O)c1cccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1OC(C)C ZINC000292734020 275471969 /nfs/dbraw/zinc/47/19/69/275471969.db2.gz PVCBZHMLIXXKNM-UHFFFAOYSA-N -1 3 348.315 2.144 20 5 EEBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000162953253 311380149 /nfs/dbraw/zinc/38/01/49/311380149.db2.gz KBTRZZMNRRHBJA-IUCAKERBSA-N -1 3 348.808 2.483 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)C ZINC000416533204 313248706 /nfs/dbraw/zinc/24/87/06/313248706.db2.gz TWCWUVHRSRJMIQ-ZYHUDNBSSA-N -1 3 328.390 2.316 20 5 EEBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000416536016 313249631 /nfs/dbraw/zinc/24/96/31/313249631.db2.gz OJQLHAHFMOBKHV-WCBMZHEXSA-N -1 3 334.781 2.094 20 5 EEBDHM COCC1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000416582890 313264807 /nfs/dbraw/zinc/26/48/07/313264807.db2.gz BPJFAPJMOUVCOL-UHFFFAOYSA-N -1 3 328.390 2.078 20 5 EEBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000416603649 313271047 /nfs/dbraw/zinc/27/10/47/313271047.db2.gz SURUAVDHFVFESO-YGRLFVJLSA-N -1 3 328.390 2.077 20 5 EEBDHM COC1([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCC1 ZINC000416617150 313274976 /nfs/dbraw/zinc/27/49/76/313274976.db2.gz NEZPDPKHRSWHMG-LBPRGKRZSA-N -1 3 342.417 2.448 20 5 EEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000435623412 314912969 /nfs/dbraw/zinc/91/29/69/314912969.db2.gz UUWAGDIVDFDJML-UHFFFAOYSA-N -1 3 335.385 2.339 20 5 EEBDHM COc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000443886012 315263439 /nfs/dbraw/zinc/26/34/39/315263439.db2.gz RZSMMZQIPBZQAG-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000443886012 315263443 /nfs/dbraw/zinc/26/34/43/315263443.db2.gz RZSMMZQIPBZQAG-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM CC(C)(C)CCN1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000566739397 319316970 /nfs/dbraw/zinc/31/69/70/319316970.db2.gz CHYNBKGPDOOLDR-UHFFFAOYSA-N -1 3 336.392 2.246 20 5 EEBDHM Cc1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2n1C ZINC000581527583 324270385 /nfs/dbraw/zinc/27/03/85/324270385.db2.gz LYWZDWPLGCUWTP-UHFFFAOYSA-N -1 3 327.300 2.143 20 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ZINC001225661107 1301114926 /nfs/dbraw/zinc/11/49/26/1301114926.db2.gz JCUYDBNPUIZUTB-KOLCDFICSA-N -1 3 339.348 2.330 20 5 EEBDHM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666430 1301116882 /nfs/dbraw/zinc/11/68/82/1301116882.db2.gz ISPXZRAXIILVOJ-JTQLQIEISA-N -1 3 337.332 2.250 20 5 EEBDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227691779 1301931576 /nfs/dbraw/zinc/93/15/76/1301931576.db2.gz QDONSSGVNNGWPY-ZJUUUORDSA-N -1 3 334.332 2.367 20 5 EEBDHM COC(=O)c1ccc([O-])c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001227822415 1301977617 /nfs/dbraw/zinc/97/76/17/1301977617.db2.gz NDTOJQQNYAUVAP-GFCCVEGCSA-N -1 3 330.296 2.028 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC001251197246 1317432478 /nfs/dbraw/zinc/43/24/78/1317432478.db2.gz UHOQIRZIYCHAJR-UHFFFAOYSA-N -1 3 335.291 2.214 20 5 EEBDHM COc1cccc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001605317103 1351134984 /nfs/dbraw/zinc/13/49/84/1351134984.db2.gz QXZLSTFABJGFQR-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM COc1cccc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001605317103 1351134989 /nfs/dbraw/zinc/13/49/89/1351134989.db2.gz QXZLSTFABJGFQR-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM C[C@H](CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001609111721 1351848397 /nfs/dbraw/zinc/84/83/97/1351848397.db2.gz DUESOJWKJXMREE-LLVKDONJSA-N -1 3 339.359 2.410 20 5 EEBDHM C[C@H](CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001609111721 1351848398 /nfs/dbraw/zinc/84/83/98/1351848398.db2.gz DUESOJWKJXMREE-LLVKDONJSA-N -1 3 339.359 2.410 20 5 EEBDHM CCN(CCNC(=O)c1ccccc1[O-])c1nccc(C)c1[N+](=O)[O-] ZINC001100449007 1338380772 /nfs/dbraw/zinc/38/07/72/1338380772.db2.gz RBKKOBIJPUVVSP-UHFFFAOYSA-N -1 3 344.371 2.260 20 5 EEBDHM CC(C)(C)/C=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589110125 1348961373 /nfs/dbraw/zinc/96/13/73/1348961373.db2.gz GFGMBNGHKUCBOC-VOTSOKGWSA-N -1 3 331.332 2.420 20 5 EEBDHM CC(C)(C)/C=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589110125 1348961377 /nfs/dbraw/zinc/96/13/77/1348961377.db2.gz GFGMBNGHKUCBOC-VOTSOKGWSA-N -1 3 331.332 2.420 20 5 EEBDHM CC(C)[C@]1(CO)CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589494560 1348996663 /nfs/dbraw/zinc/99/66/63/1348996663.db2.gz MYXAGGXKPUYFPZ-MRXNPFEDSA-N -1 3 346.391 2.010 20 5 EEBDHM CC(C)[C@]1(CO)CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589494560 1348996669 /nfs/dbraw/zinc/99/66/69/1348996669.db2.gz MYXAGGXKPUYFPZ-MRXNPFEDSA-N -1 3 346.391 2.010 20 5 EEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1ccccc1 ZINC001589983554 1349092653 /nfs/dbraw/zinc/09/26/53/1349092653.db2.gz DSUKYXJCCFWCSR-BONVTDFDSA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1ccccc1 ZINC001589983554 1349092662 /nfs/dbraw/zinc/09/26/62/1349092662.db2.gz DSUKYXJCCFWCSR-BONVTDFDSA-N -1 3 340.343 2.309 20 5 EEBDHM CC1(C)CC(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590078638 1349141825 /nfs/dbraw/zinc/14/18/25/1349141825.db2.gz RIYLLVAPANJDQK-UHFFFAOYSA-N -1 3 331.332 2.254 20 5 EEBDHM CC1(C)CC(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590078638 1349141830 /nfs/dbraw/zinc/14/18/30/1349141830.db2.gz RIYLLVAPANJDQK-UHFFFAOYSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H]1CC2(CC(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)CO1 ZINC001590222524 1349208298 /nfs/dbraw/zinc/20/82/98/1349208298.db2.gz JZPBVWDBENWCTI-SBTGLGLWSA-N -1 3 330.348 2.144 20 5 EEBDHM C[C@@H]1CC2(CC(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)CO1 ZINC001590222524 1349208302 /nfs/dbraw/zinc/20/83/02/1349208302.db2.gz JZPBVWDBENWCTI-SBTGLGLWSA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC001591854154 1349545750 /nfs/dbraw/zinc/54/57/50/1349545750.db2.gz BYXOTIWEZMRLKD-UHFFFAOYSA-N -1 3 339.359 2.157 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)cc(N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC001591854154 1349545757 /nfs/dbraw/zinc/54/57/57/1349545757.db2.gz BYXOTIWEZMRLKD-UHFFFAOYSA-N -1 3 339.359 2.157 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001593296403 1349770570 /nfs/dbraw/zinc/77/05/70/1349770570.db2.gz MVRXGNBLJDYTTE-UHFFFAOYSA-N -1 3 329.316 2.008 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001593296403 1349770573 /nfs/dbraw/zinc/77/05/73/1349770573.db2.gz MVRXGNBLJDYTTE-UHFFFAOYSA-N -1 3 329.316 2.008 20 5 EEBDHM O=[N+]([O-])c1cc(N(Cc2cccnc2)C2CC2)ccc1-c1nnn[n-]1 ZINC001593472261 1349806612 /nfs/dbraw/zinc/80/66/12/1349806612.db2.gz ZQGDQLWRHBYFEQ-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001593475413 1349809131 /nfs/dbraw/zinc/80/91/31/1349809131.db2.gz PAZCNBVTDOHURS-CYBMUJFWSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001593475413 1349809134 /nfs/dbraw/zinc/80/91/34/1349809134.db2.gz PAZCNBVTDOHURS-CYBMUJFWSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc32)c(-c2nnn[n-]2)c1 ZINC001593477923 1349810917 /nfs/dbraw/zinc/81/09/17/1349810917.db2.gz KFTXSRMZFCGAES-JTQLQIEISA-N -1 3 338.327 2.363 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc32)c(-c2nn[n-]n2)c1 ZINC001593477923 1349810918 /nfs/dbraw/zinc/81/09/18/1349810918.db2.gz KFTXSRMZFCGAES-JTQLQIEISA-N -1 3 338.327 2.363 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2Cc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC001593478815 1349811793 /nfs/dbraw/zinc/81/17/93/1349811793.db2.gz YIODORFIPCLPKN-LBPRGKRZSA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2Cc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC001593478815 1349811796 /nfs/dbraw/zinc/81/17/96/1349811796.db2.gz YIODORFIPCLPKN-LBPRGKRZSA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001593483650 1349814380 /nfs/dbraw/zinc/81/43/80/1349814380.db2.gz AIJKBOKYGZFVBB-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001593483650 1349814383 /nfs/dbraw/zinc/81/43/83/1349814383.db2.gz AIJKBOKYGZFVBB-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM Cc1c(NC(=O)[C@@H](C)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600031137 1349958035 /nfs/dbraw/zinc/95/80/35/1349958035.db2.gz QZBXXYPKYTXZFX-BFCNOCSMSA-N -1 3 349.387 2.273 20 5 EEBDHM CCSC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001604479017 1350946778 /nfs/dbraw/zinc/94/67/78/1350946778.db2.gz QZWSUTQAAFMSNT-UHFFFAOYSA-N -1 3 335.393 2.055 20 5 EEBDHM CCSC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001604479017 1350946779 /nfs/dbraw/zinc/94/67/79/1350946779.db2.gz QZWSUTQAAFMSNT-UHFFFAOYSA-N -1 3 335.393 2.055 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001604594718 1350967212 /nfs/dbraw/zinc/96/72/12/1350967212.db2.gz AUHIMJYKICZTLT-UHFFFAOYSA-N -1 3 346.326 2.051 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001604594718 1350967215 /nfs/dbraw/zinc/96/72/15/1350967215.db2.gz AUHIMJYKICZTLT-UHFFFAOYSA-N -1 3 346.326 2.051 20 5 EEBDHM CCn1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cn1 ZINC001604604650 1350968258 /nfs/dbraw/zinc/96/82/58/1350968258.db2.gz JCLSIKYZRTWNMY-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001605372341 1351146571 /nfs/dbraw/zinc/14/65/71/1351146571.db2.gz RWZHNZYHCNALLA-RKDXNWHRSA-N -1 3 349.420 2.443 20 5 EEBDHM CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001605372341 1351146574 /nfs/dbraw/zinc/14/65/74/1351146574.db2.gz RWZHNZYHCNALLA-RKDXNWHRSA-N -1 3 349.420 2.443 20 5 EEBDHM Cc1cc(C)cc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605646456 1351209505 /nfs/dbraw/zinc/20/95/05/1351209505.db2.gz PSJNKCDVVVJRKG-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM Cc1cc(C)cc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605646456 1351209507 /nfs/dbraw/zinc/20/95/07/1351209507.db2.gz PSJNKCDVVVJRKG-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC001606450966 1351304309 /nfs/dbraw/zinc/30/43/09/1351304309.db2.gz BVUKQCPTKXOKOJ-WCBMZHEXSA-N -1 3 343.372 2.387 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC001606450966 1351304313 /nfs/dbraw/zinc/30/43/13/1351304313.db2.gz BVUKQCPTKXOKOJ-WCBMZHEXSA-N -1 3 343.372 2.387 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@@H]1C(F)F ZINC001607077889 1351407932 /nfs/dbraw/zinc/40/79/32/1351407932.db2.gz UUOXOTLFLJZDNK-LLVKDONJSA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1C(F)F ZINC001607077889 1351407934 /nfs/dbraw/zinc/40/79/34/1351407934.db2.gz UUOXOTLFLJZDNK-LLVKDONJSA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001607084833 1351411833 /nfs/dbraw/zinc/41/18/33/1351411833.db2.gz AZKZWOVYQMTGGN-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001607084833 1351411835 /nfs/dbraw/zinc/41/18/35/1351411835.db2.gz AZKZWOVYQMTGGN-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccc2c(c1)COC2 ZINC001607084734 1351411900 /nfs/dbraw/zinc/41/19/00/1351411900.db2.gz VXARSMXWIUGIAF-UHFFFAOYSA-N -1 3 338.327 2.417 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccc2c(c1)COC2 ZINC001607084734 1351411903 /nfs/dbraw/zinc/41/19/03/1351411903.db2.gz VXARSMXWIUGIAF-UHFFFAOYSA-N -1 3 338.327 2.417 20 5 EEBDHM Cc1ncsc1CN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592424742 1404032389 /nfs/dbraw/zinc/03/23/89/1404032389.db2.gz DBIGBDZDYJDSEO-UHFFFAOYSA-N -1 3 349.351 2.315 20 5 EEBDHM Cc1ncsc1CN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592424742 1404032398 /nfs/dbraw/zinc/03/23/98/1404032398.db2.gz DBIGBDZDYJDSEO-UHFFFAOYSA-N -1 3 349.351 2.315 20 5 EEBDHM CC(C)C1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107505893 787476872 /nfs/dbraw/zinc/47/68/72/787476872.db2.gz DDWWKFOIUSJRJQ-ARJAWSKDSA-N -1 3 334.376 2.216 20 5 EEBDHM Cc1ccc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)s1 ZINC001110047863 806454379 /nfs/dbraw/zinc/45/43/79/806454379.db2.gz ZGBYPFBIKGKBFY-UHFFFAOYSA-N -1 3 348.384 2.440 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC001093997535 795846658 /nfs/dbraw/zinc/84/66/58/795846658.db2.gz ZADFXLDSPHYKBO-UHFFFAOYSA-N -1 3 334.376 2.194 20 5 EEBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000447024258 535156342 /nfs/dbraw/zinc/15/63/42/535156342.db2.gz VPAVJDNYGRSGOR-UHFFFAOYSA-N -1 3 349.206 2.436 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O)c1C ZINC000182479158 234632622 /nfs/dbraw/zinc/63/26/22/234632622.db2.gz WFQMYIHKLOPETH-NSHDSACASA-N -1 3 344.433 2.287 20 5 EEBDHM O=C(c1cccc([O-])c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000081011905 217350455 /nfs/dbraw/zinc/35/04/55/217350455.db2.gz FRFAWLLPDGTUMS-UHFFFAOYSA-N -1 3 341.367 2.258 20 5 EEBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119215782 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MAWWCTJYQXHFTN-UMSPYCQHSA-N -1 3 346.343 2.217 20 5 EEBDHM O=C1C=CC(=O)N1c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201229115 1289362055 /nfs/dbraw/zinc/36/20/55/1289362055.db2.gz CVJICELCINXRFI-UHFFFAOYSA-N -1 3 325.280 2.473 20 5 EEBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225661109 1301114659 /nfs/dbraw/zinc/11/46/59/1301114659.db2.gz JCUYDBNPUIZUTB-MWLCHTKSSA-N -1 3 339.348 2.330 20 5 EEBDHM C[NH+]1CCC2(CC[C@@H](COc3cc([O-])cc([O-])c3[N+](=O)[O-])O2)CC1 ZINC001228968995 1302550890 /nfs/dbraw/zinc/55/08/90/1302550890.db2.gz WBYUUDHCHSRXPH-LBPRGKRZSA-N -1 3 338.360 2.028 20 5 EEBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000837513893 1315089670 /nfs/dbraw/zinc/08/96/70/1315089670.db2.gz PWCDYDITFICFLD-UHFFFAOYSA-N -1 3 333.275 2.464 20 5 EEBDHM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001609425696 1351972089 /nfs/dbraw/zinc/97/20/89/1351972089.db2.gz FVMATZVWUXVAFC-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001609425696 1351972092 /nfs/dbraw/zinc/97/20/92/1351972092.db2.gz FVMATZVWUXVAFC-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@@H](O)c1ccccc1 ZINC001609601424 1352030890 /nfs/dbraw/zinc/03/08/90/1352030890.db2.gz KTZCCIAYCKTQNH-OAHLLOKOSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@@H](O)c1ccccc1 ZINC001609601424 1352030894 /nfs/dbraw/zinc/03/08/94/1352030894.db2.gz KTZCCIAYCKTQNH-OAHLLOKOSA-N -1 3 340.343 2.311 20 5 EEBDHM CCO[C@H]1C[C@](NCc2cc(F)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001610028945 1352144843 /nfs/dbraw/zinc/14/48/43/1352144843.db2.gz FZGMXZZBDLUHEH-BBRMVZONSA-N -1 3 340.351 2.482 20 5 EEBDHM CCN(CCNC(=O)c1cccc(F)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100428188 1338364589 /nfs/dbraw/zinc/36/45/89/1338364589.db2.gz CTMJKPQEGXLRHQ-UHFFFAOYSA-N -1 3 348.334 2.091 20 5 EEBDHM Cn1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1-c1nnn[n-]1 ZINC001581751891 1344659764 /nfs/dbraw/zinc/65/97/64/1344659764.db2.gz XQRMCCHWDWVRHY-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1-c1nn[n-]n1 ZINC001581751891 1344659770 /nfs/dbraw/zinc/65/97/70/1344659770.db2.gz XQRMCCHWDWVRHY-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC=C(c2cccnc2)C1 ZINC001582803508 1344793192 /nfs/dbraw/zinc/79/31/92/1344793192.db2.gz KFERVPPNRLPAPN-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC=C(c2cccnc2)C1 ZINC001582803508 1344793197 /nfs/dbraw/zinc/79/31/97/1344793197.db2.gz KFERVPPNRLPAPN-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM C[C@H](C[C@@H]1CCOC1)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589803007 1349047406 /nfs/dbraw/zinc/04/74/06/1349047406.db2.gz MSPROSPQYSPTJQ-BDAKNGLRSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@H](C[C@@H]1CCOC1)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589803007 1349047413 /nfs/dbraw/zinc/04/74/13/1349047413.db2.gz MSPROSPQYSPTJQ-BDAKNGLRSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226481 1349210556 /nfs/dbraw/zinc/21/05/56/1349210556.db2.gz PSEFOVGNAOJPOZ-ONGXEEELSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226481 1349210561 /nfs/dbraw/zinc/21/05/61/1349210561.db2.gz PSEFOVGNAOJPOZ-ONGXEEELSA-N -1 3 331.332 2.254 20 5 EEBDHM COC1CCC(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591351007 1349468384 /nfs/dbraw/zinc/46/83/84/1349468384.db2.gz FUTHBGKWSQCYQI-UHFFFAOYSA-N -1 3 347.379 2.177 20 5 EEBDHM COC1CCC(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591351007 1349468390 /nfs/dbraw/zinc/46/83/90/1349468390.db2.gz FUTHBGKWSQCYQI-UHFFFAOYSA-N -1 3 347.379 2.177 20 5 EEBDHM Cc1cc(F)c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC001591988437 1349578967 /nfs/dbraw/zinc/57/89/67/1349578967.db2.gz VNMHWTHDHIDLJG-UHFFFAOYSA-N -1 3 347.285 2.369 20 5 EEBDHM Cc1cc(F)c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC001591988437 1349578977 /nfs/dbraw/zinc/57/89/77/1349578977.db2.gz VNMHWTHDHIDLJG-UHFFFAOYSA-N -1 3 347.285 2.369 20 5 EEBDHM Cc1nnc(NCc2cccc([N+](=O)[O-])c2C)c(-c2nnn[n-]2)c1C ZINC001592449536 1349633870 /nfs/dbraw/zinc/63/38/70/1349633870.db2.gz SNSKSPCSYFSYHX-UHFFFAOYSA-N -1 3 340.347 2.102 20 5 EEBDHM Cc1nnc(NCc2cccc([N+](=O)[O-])c2C)c(-c2nn[n-]n2)c1C ZINC001592449536 1349633871 /nfs/dbraw/zinc/63/38/71/1349633871.db2.gz SNSKSPCSYFSYHX-UHFFFAOYSA-N -1 3 340.347 2.102 20 5 EEBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001593370360 1349791981 /nfs/dbraw/zinc/79/19/81/1349791981.db2.gz YFPRCASHAJVGMI-UHFFFAOYSA-N -1 3 342.340 2.039 20 5 EEBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001593370360 1349791988 /nfs/dbraw/zinc/79/19/88/1349791988.db2.gz YFPRCASHAJVGMI-UHFFFAOYSA-N -1 3 342.340 2.039 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCNc2ccccc2C1 ZINC001593468199 1349805244 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2.401 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC=C(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593479708 1349812248 /nfs/dbraw/zinc/81/22/48/1349812248.db2.gz RSXZOJCMNIQMKK-UHFFFAOYSA-N -1 3 341.306 2.387 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC=C(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593479708 1349812251 /nfs/dbraw/zinc/81/22/51/1349812251.db2.gz RSXZOJCMNIQMKK-UHFFFAOYSA-N -1 3 341.306 2.387 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001593485798 1349815125 /nfs/dbraw/zinc/81/51/25/1349815125.db2.gz XZMRQQKOJWTXLM-ZDUSSCGKSA-N -1 3 338.331 2.054 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001593485798 1349815127 /nfs/dbraw/zinc/81/51/27/1349815127.db2.gz XZMRQQKOJWTXLM-ZDUSSCGKSA-N -1 3 338.331 2.054 20 5 EEBDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC1 ZINC001603036006 1350625695 /nfs/dbraw/zinc/62/56/95/1350625695.db2.gz AJMJQSLUBWTXCU-VIFPVBQESA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC1 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VQKSOQFJRIHLDS-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1OCc1cc(-c2nn[n-]n2)ccn1 ZINC001607079051 1351408549 /nfs/dbraw/zinc/40/85/49/1351408549.db2.gz VQKSOQFJRIHLDS-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OCCOc1ccccc1-c1nnn[n-]1 ZINC001607081353 1351409305 /nfs/dbraw/zinc/40/93/05/1351409305.db2.gz HRLSWJAENNLQDQ-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OCCOc1ccccc1-c1nn[n-]n1 ZINC001607081353 1351409308 /nfs/dbraw/zinc/40/93/08/1351409308.db2.gz HRLSWJAENNLQDQ-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001607082099 1351410291 /nfs/dbraw/zinc/41/02/91/1351410291.db2.gz JLVAUSUOIOGRIV-UHFFFAOYSA-N -1 3 327.300 2.233 20 5 EEBDHM O=[N+]([O-])c1cccc2c1ccnc2NCc1cncc(-c2nnn[n-]2)c1 ZINC001607084945 1351412140 /nfs/dbraw/zinc/41/21/40/1351412140.db2.gz FNYMCGGSXVKVEF-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc2c1ccnc2NCc1cncc(-c2nn[n-]n2)c1 ZINC001607084945 1351412142 /nfs/dbraw/zinc/41/21/42/1351412142.db2.gz FNYMCGGSXVKVEF-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM Cc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC001592151454 1404007032 /nfs/dbraw/zinc/00/70/32/1404007032.db2.gz RYBCKICZWXDLFY-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC001592151454 1404007037 /nfs/dbraw/zinc/00/70/37/1404007037.db2.gz RYBCKICZWXDLFY-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC001592152531 1404008656 /nfs/dbraw/zinc/00/86/56/1404008656.db2.gz SOYHBKPWVKBLLG-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM Cc1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC001592152531 1404008663 /nfs/dbraw/zinc/00/86/63/1404008663.db2.gz SOYHBKPWVKBLLG-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM O=C(NCC1CN(Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1[O-] ZINC001031554357 769578260 /nfs/dbraw/zinc/57/82/60/769578260.db2.gz TUZLYZAEQSMNLM-UHFFFAOYSA-N 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EEBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000360878369 465621833 /nfs/dbraw/zinc/62/18/33/465621833.db2.gz XBLGOJQMEZWQAD-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM CSc1nnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[n-]1 ZINC000299601734 465820621 /nfs/dbraw/zinc/82/06/21/465820621.db2.gz XSPZVKQRDOLHLN-UHFFFAOYSA-N -1 3 334.361 2.261 20 5 EEBDHM CSc1n[n-]c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000299601734 465820626 /nfs/dbraw/zinc/82/06/26/465820626.db2.gz XSPZVKQRDOLHLN-UHFFFAOYSA-N -1 3 334.361 2.261 20 5 EEBDHM CSc1nc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[n-]1 ZINC000299601734 465820632 /nfs/dbraw/zinc/82/06/32/465820632.db2.gz XSPZVKQRDOLHLN-UHFFFAOYSA-N -1 3 334.361 2.261 20 5 EEBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc2cccnc2s1 ZINC000346864669 466209426 /nfs/dbraw/zinc/20/94/26/466209426.db2.gz ICOFKXXRCWPFKE-UHFFFAOYSA-N -1 3 340.324 2.728 20 5 EEBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000313094091 466534942 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330.300 2.147 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000763648965 577723909 /nfs/dbraw/zinc/72/39/09/577723909.db2.gz UBVHBWAJVITYEQ-YVMONPNESA-N -1 3 330.300 2.147 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000742330983 577871224 /nfs/dbraw/zinc/87/12/24/577871224.db2.gz WYTUPRATQMCDRV-GXSJLCMTSA-N -1 3 346.430 2.166 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cn1 ZINC000746601374 577930678 /nfs/dbraw/zinc/93/06/78/577930678.db2.gz XYXVFWQEHGEHSQ-UHFFFAOYSA-N -1 3 341.776 2.483 20 5 EEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccsc1 ZINC000736141038 578182954 /nfs/dbraw/zinc/18/29/54/578182954.db2.gz GEAUKLWGRFPHDA-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccsc1 ZINC000736141038 578182955 /nfs/dbraw/zinc/18/29/55/578182955.db2.gz GEAUKLWGRFPHDA-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM Cc1ccccc1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822356645 599250716 /nfs/dbraw/zinc/25/07/16/599250716.db2.gz XGFPMTYVVBIVSB-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1ccccc1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822356645 599250718 /nfs/dbraw/zinc/25/07/18/599250718.db2.gz XGFPMTYVVBIVSB-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCSc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823652265 599317607 /nfs/dbraw/zinc/31/76/07/599317607.db2.gz XRQFDYYEGFDEBE-UHFFFAOYSA-N -1 3 343.372 2.374 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCSc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823652265 599317610 /nfs/dbraw/zinc/31/76/10/599317610.db2.gz XRQFDYYEGFDEBE-UHFFFAOYSA-N -1 3 343.372 2.374 20 5 EEBDHM CN(CC1CC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596837 599485470 /nfs/dbraw/zinc/48/54/70/599485470.db2.gz WMVWHQJRCRLDIM-UHFFFAOYSA-N -1 3 325.332 2.169 20 5 EEBDHM CN(CC1CC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596837 599485471 /nfs/dbraw/zinc/48/54/71/599485471.db2.gz WMVWHQJRCRLDIM-UHFFFAOYSA-N -1 3 325.332 2.169 20 5 EEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000821609907 607382227 /nfs/dbraw/zinc/38/22/27/607382227.db2.gz QUJRPLZIPUBHHK-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000821609907 607382229 /nfs/dbraw/zinc/38/22/29/607382229.db2.gz QUJRPLZIPUBHHK-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM Cc1c(CC(=O)Nc2sccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236638 607428992 /nfs/dbraw/zinc/42/89/92/607428992.db2.gz VURCEDORYHDUJH-UHFFFAOYSA-N -1 3 344.356 2.326 20 5 EEBDHM Cc1c(CC(=O)Nc2sccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236638 607428993 /nfs/dbraw/zinc/42/89/93/607428993.db2.gz VURCEDORYHDUJH-UHFFFAOYSA-N -1 3 344.356 2.326 20 5 EEBDHM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000833249103 600852928 /nfs/dbraw/zinc/85/29/28/600852928.db2.gz BPCBWOZFSLFFDC-UHFFFAOYSA-N -1 3 328.752 2.314 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC(=O)[O-])CC(C)C ZINC000832905422 600992345 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606062777 /nfs/dbraw/zinc/06/27/77/606062777.db2.gz VTMFSNJMDUSJDQ-CZUORRHYSA-N -1 3 346.391 2.415 20 5 EEBDHM CO[C@]1(C)C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC000821679001 606062783 /nfs/dbraw/zinc/06/27/83/606062783.db2.gz VTMFSNJMDUSJDQ-CZUORRHYSA-N -1 3 346.391 2.415 20 5 EEBDHM COc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000821837218 606461367 /nfs/dbraw/zinc/46/13/67/606461367.db2.gz BGMSRBAJHAINEP-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1 ZINC000821837218 606461369 /nfs/dbraw/zinc/46/13/69/606461369.db2.gz BGMSRBAJHAINEP-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823629986 606729721 /nfs/dbraw/zinc/72/97/21/606729721.db2.gz OUELSFZXDHDUDU-WDMOLILDSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823629986 606729723 /nfs/dbraw/zinc/72/97/23/606729723.db2.gz OUELSFZXDHDUDU-WDMOLILDSA-N -1 3 330.348 2.144 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1csc([N+](=O)[O-])c1 ZINC000823417781 607079809 /nfs/dbraw/zinc/07/98/09/607079809.db2.gz IPMCZJLMBJYIGM-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC000823417781 607079811 /nfs/dbraw/zinc/07/98/11/607079811.db2.gz IPMCZJLMBJYIGM-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823040372 607171057 /nfs/dbraw/zinc/17/10/57/607171057.db2.gz IYAIGOXWHJGKNV-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823040372 607171058 /nfs/dbraw/zinc/17/10/58/607171058.db2.gz IYAIGOXWHJGKNV-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccc(F)cc1 ZINC000826499494 607876620 /nfs/dbraw/zinc/87/66/20/607876620.db2.gz KTMCXULKMFYNOC-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccc(F)cc1 ZINC000826499494 607876621 /nfs/dbraw/zinc/87/66/21/607876621.db2.gz KTMCXULKMFYNOC-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM CN(Cc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825965718 608015897 /nfs/dbraw/zinc/01/58/97/608015897.db2.gz DSCRETKRNAKPBG-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM CN(Cc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825965718 608015898 /nfs/dbraw/zinc/01/58/98/608015898.db2.gz DSCRETKRNAKPBG-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824513531 608433199 /nfs/dbraw/zinc/43/31/99/608433199.db2.gz BZFZBQLMLXQCIT-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824513531 608433201 /nfs/dbraw/zinc/43/32/01/608433201.db2.gz BZFZBQLMLXQCIT-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM Cn1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826362975 609237837 /nfs/dbraw/zinc/23/78/37/609237837.db2.gz QJFMANPESAJDLK-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826362975 609237839 /nfs/dbraw/zinc/23/78/39/609237839.db2.gz QJFMANPESAJDLK-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM COc1c([O-])ccc(CN2C[C@H](CO)c3ccccc32)c1[N+](=O)[O-] ZINC000894613046 682995240 /nfs/dbraw/zinc/99/52/40/682995240.db2.gz QQSYGYPCKQIZDH-GFCCVEGCSA-N -1 3 330.340 2.405 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CCCCC1 ZINC001059552539 687012742 /nfs/dbraw/zinc/01/27/42/687012742.db2.gz PTGCJHSKWBCVKC-TXEJJXNPSA-N -1 3 334.376 2.335 20 5 EEBDHM Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)o1 ZINC001059595106 687278941 /nfs/dbraw/zinc/27/89/41/687278941.db2.gz PUZJEAUVXDTZRR-PHIMTYICSA-N -1 3 346.343 2.278 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000794864548 1198339812 /nfs/dbraw/zinc/33/98/12/1198339812.db2.gz LMEMAOPJHPZYAG-UHFFFAOYSA-N -1 3 343.748 2.453 20 5 EEBDHM O=C1NC(=O)C(=CNc2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000128881056 1201665355 /nfs/dbraw/zinc/66/53/55/1201665355.db2.gz CVVDXZJHFNIKOJ-XYOKQWHBSA-N -1 3 325.280 2.023 20 5 EEBDHM C/C=C(\C)C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096028891 1233792140 /nfs/dbraw/zinc/79/21/40/1233792140.db2.gz VAOZGHRHJOVTGU-QDEBKDIKSA-N -1 3 334.376 2.137 20 5 EEBDHM CC(C)(C)C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096033206 1233797609 /nfs/dbraw/zinc/79/76/09/1233797609.db2.gz NEMYSNJIQMNLDH-UHFFFAOYSA-N -1 3 336.392 2.217 20 5 EEBDHM O=C(c1cccs1)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057085157 1241677529 /nfs/dbraw/zinc/67/75/29/1241677529.db2.gz KDQXEDRSNZPGHY-UHFFFAOYSA-N -1 3 348.384 2.109 20 5 EEBDHM O=C(C=C1CCC1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057308298 1243209154 /nfs/dbraw/zinc/20/91/54/1243209154.db2.gz KFODWCKITAIZAT-UHFFFAOYSA-N -1 3 332.360 2.209 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccoc1Cl ZINC001101586042 1299695269 /nfs/dbraw/zinc/69/52/69/1299695269.db2.gz QWDSKNHDOZBVBG-UHFFFAOYSA-N -1 3 340.723 2.126 20 5 EEBDHM CCOC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001225899832 1301195808 /nfs/dbraw/zinc/19/58/08/1301195808.db2.gz RSNHSXFAJSIOHV-VIFPVBQESA-N -1 3 333.300 2.407 20 5 EEBDHM COC(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227693791 1301932760 /nfs/dbraw/zinc/93/27/60/1301932760.db2.gz XOTPXZUPEUXNNY-ZDUSSCGKSA-N -1 3 328.284 2.159 20 5 EEBDHM O=c1[n-]cnc2c1CCN(c1nc3ccc([N+](=O)[O-])cc3s1)C2 ZINC000784171525 1304429136 /nfs/dbraw/zinc/42/91/36/1304429136.db2.gz LEHXBIRIAXFXMO-UHFFFAOYSA-N -1 3 329.341 2.263 20 5 EEBDHM CC(C)C(=O)N1CC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233505835 1304489469 /nfs/dbraw/zinc/48/94/69/1304489469.db2.gz HYFNNDZYRRIDFG-UHFFFAOYSA-N -1 3 338.751 2.370 20 5 EEBDHM O=C(NCCCc1c[n-][nH]c1=O)c1ccnc2c1ccc1cccnc12 ZINC001155815855 1317745175 /nfs/dbraw/zinc/74/51/75/1317745175.db2.gz NAQQAQOQQDECHS-ZDUSSCGKSA-N -1 3 347.378 2.025 20 5 EEBDHM COCCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CC[C@H](C)C1 ZINC001591429584 1349483996 /nfs/dbraw/zinc/48/39/96/1349483996.db2.gz YEWSTFBXCATKMM-RYUDHWBXSA-N -1 3 346.391 2.416 20 5 EEBDHM COCCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CC[C@H](C)C1 ZINC001591429584 1349484001 /nfs/dbraw/zinc/48/40/01/1349484001.db2.gz YEWSTFBXCATKMM-RYUDHWBXSA-N -1 3 346.391 2.416 20 5 EEBDHM CCCCCOC1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001604180662 1350885840 /nfs/dbraw/zinc/88/58/40/1350885840.db2.gz XODTYNFXZBADOA-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM CCCCCOC1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001604180662 1350885841 /nfs/dbraw/zinc/88/58/41/1350885841.db2.gz XODTYNFXZBADOA-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM C[C@@H]1CC2(CN1c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CCOCC2 ZINC001609159141 1351867911 /nfs/dbraw/zinc/86/79/11/1351867911.db2.gz JBHHIYXDEKASSY-LLVKDONJSA-N -1 3 344.375 2.170 20 5 EEBDHM C[C@@H]1CC2(CN1c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CCOCC2 ZINC001609159141 1351867916 /nfs/dbraw/zinc/86/79/16/1351867916.db2.gz JBHHIYXDEKASSY-LLVKDONJSA-N -1 3 344.375 2.170 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001609348844 1351941511 /nfs/dbraw/zinc/94/15/11/1351941511.db2.gz NCBJOYMOXRJGFH-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001609348844 1351941513 /nfs/dbraw/zinc/94/15/13/1351941513.db2.gz NCBJOYMOXRJGFH-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC001609575549 1352022287 /nfs/dbraw/zinc/02/22/87/1352022287.db2.gz VPFFPHVLXQORJM-UHFFFAOYSA-N -1 3 343.343 2.398 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC001609575549 1352022292 /nfs/dbraw/zinc/02/22/92/1352022292.db2.gz VPFFPHVLXQORJM-UHFFFAOYSA-N -1 3 343.343 2.398 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001609576950 1352023613 /nfs/dbraw/zinc/02/36/13/1352023613.db2.gz JIQLSZMCJNMVED-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001609576950 1352023618 /nfs/dbraw/zinc/02/36/18/1352023618.db2.gz JIQLSZMCJNMVED-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM CCN(CCNC(=O)c1ccc(F)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100436096 1338372644 /nfs/dbraw/zinc/37/26/44/1338372644.db2.gz CERRGKQYNVRTIU-UHFFFAOYSA-N -1 3 348.334 2.091 20 5 EEBDHM C[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001580309439 1344509323 /nfs/dbraw/zinc/50/93/23/1344509323.db2.gz NTJWWRXGORJNAG-MRVPVSSYSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001580309439 1344509325 /nfs/dbraw/zinc/50/93/25/1344509325.db2.gz NTJWWRXGORJNAG-MRVPVSSYSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cc[nH]c(=O)c1 ZINC001589983558 1349091786 /nfs/dbraw/zinc/09/17/86/1349091786.db2.gz DYVOHAOFPZOILS-MRVPVSSYSA-N -1 3 327.304 2.049 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cc[nH]c(=O)c1 ZINC001589983558 1349091792 /nfs/dbraw/zinc/09/17/92/1349091792.db2.gz DYVOHAOFPZOILS-MRVPVSSYSA-N -1 3 327.304 2.049 20 5 EEBDHM CC1(C)CC[C@@H](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)OC1 ZINC001590089627 1349147035 /nfs/dbraw/zinc/14/70/35/1349147035.db2.gz SQVDVOJDIBMULI-NSHDSACASA-N -1 3 347.379 2.177 20 5 EEBDHM CC1(C)CC[C@@H](CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)OC1 ZINC001590089627 1349147041 /nfs/dbraw/zinc/14/70/41/1349147041.db2.gz SQVDVOJDIBMULI-NSHDSACASA-N -1 3 347.379 2.177 20 5 EEBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590313784 1349260535 /nfs/dbraw/zinc/26/05/35/1349260535.db2.gz RFSYIQWBHIYSDR-LLVKDONJSA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590313784 1349260542 /nfs/dbraw/zinc/26/05/42/1349260542.db2.gz RFSYIQWBHIYSDR-LLVKDONJSA-N -1 3 344.375 2.313 20 5 EEBDHM Cc1cc(N2CCC(=O)CC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591999510 1349580972 /nfs/dbraw/zinc/58/09/72/1349580972.db2.gz GSXIKIYNQBBDGS-UHFFFAOYSA-N -1 3 344.375 2.279 20 5 EEBDHM Cc1cc(N2CCC(=O)CC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591999510 1349580975 /nfs/dbraw/zinc/58/09/75/1349580975.db2.gz GSXIKIYNQBBDGS-UHFFFAOYSA-N -1 3 344.375 2.279 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCC1CCOCC1 ZINC001593475490 1349808888 /nfs/dbraw/zinc/80/88/88/1349808888.db2.gz PTYKVAIRKLTTJX-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCC1CCOCC1 ZINC001593475490 1349808892 /nfs/dbraw/zinc/80/88/92/1349808892.db2.gz PTYKVAIRKLTTJX-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCc3cccnc32)c(-c2nnn[n-]2)c1 ZINC001593477990 1349810196 /nfs/dbraw/zinc/81/01/96/1349810196.db2.gz NPKNSGIUEDIHGK-NSHDSACASA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCc3cccnc32)c(-c2nn[n-]n2)c1 ZINC001593477990 1349810199 /nfs/dbraw/zinc/81/01/99/1349810199.db2.gz NPKNSGIUEDIHGK-NSHDSACASA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NC/C=C/Cl)cc(-c3nnn[n-]3)c2c1 ZINC001593480567 1349812861 /nfs/dbraw/zinc/81/28/61/1349812861.db2.gz QBUJOZGQACGXLE-DAFODLJHSA-N -1 3 331.723 2.488 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NC/C=C/Cl)cc(-c3nn[n-]n3)c2c1 ZINC001593480567 1349812865 /nfs/dbraw/zinc/81/28/65/1349812865.db2.gz QBUJOZGQACGXLE-DAFODLJHSA-N -1 3 331.723 2.488 20 5 EEBDHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001603050518 1350628464 /nfs/dbraw/zinc/62/84/64/1350628464.db2.gz QNKWXGOJCYKDTM-UHFFFAOYSA-N -1 3 331.332 2.254 20 5 EEBDHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001603050518 1350628470 /nfs/dbraw/zinc/62/84/70/1350628470.db2.gz QNKWXGOJCYKDTM-UHFFFAOYSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603739301 1350756227 /nfs/dbraw/zinc/75/62/27/1350756227.db2.gz QDEMXIVHMJGXQP-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603739301 1350756230 /nfs/dbraw/zinc/75/62/30/1350756230.db2.gz QDEMXIVHMJGXQP-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM COCC1(C)CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605065545 1351071119 /nfs/dbraw/zinc/07/11/19/1351071119.db2.gz UXXPJLXDKXXAAJ-UHFFFAOYSA-N -1 3 332.364 2.028 20 5 EEBDHM COCC1(C)CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605065545 1351071122 /nfs/dbraw/zinc/07/11/22/1351071122.db2.gz UXXPJLXDKXXAAJ-UHFFFAOYSA-N -1 3 332.364 2.028 20 5 EEBDHM CS[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001605369952 1351145996 /nfs/dbraw/zinc/14/59/96/1351145996.db2.gz CJAXQDJNYZLRJR-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM CS[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001605369952 1351145997 /nfs/dbraw/zinc/14/59/97/1351145997.db2.gz CJAXQDJNYZLRJR-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM Cc1cccc(CN(C)c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001605913690 1351252327 /nfs/dbraw/zinc/25/23/27/1351252327.db2.gz UJSKVMBHQNQKCJ-UHFFFAOYSA-N -1 3 343.322 2.254 20 5 EEBDHM Cc1cccc(CN(C)c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001605913690 1351252331 /nfs/dbraw/zinc/25/23/31/1351252331.db2.gz UJSKVMBHQNQKCJ-UHFFFAOYSA-N -1 3 343.322 2.254 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cscc1-c1nnn[n-]1 ZINC001606978617 1351390958 /nfs/dbraw/zinc/39/09/58/1351390958.db2.gz ACBXLMIRCXOJOA-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cscc1-c1nn[n-]n1 ZINC001606978617 1351390960 /nfs/dbraw/zinc/39/09/60/1351390960.db2.gz ACBXLMIRCXOJOA-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(N2CC[C@H](c3ccco3)C2)ccc1-c1nnn[n-]1 ZINC001607079059 1351408452 /nfs/dbraw/zinc/40/84/52/1351408452.db2.gz VRLBTPOJTKLWAN-JTQLQIEISA-N -1 3 326.316 2.362 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cc2ccccc2[nH]1 ZINC001607079988 1351409550 /nfs/dbraw/zinc/40/95/50/1351409550.db2.gz FOQGRTQQUJAJMN-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cc2ccccc2[nH]1 ZINC001607079988 1351409553 /nfs/dbraw/zinc/40/95/53/1351409553.db2.gz FOQGRTQQUJAJMN-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCC12CCOCC2 ZINC001607084628 1351411839 /nfs/dbraw/zinc/41/18/39/1351411839.db2.gz QBVBEGBSXPUDPW-NSHDSACASA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCC12CCOCC2 ZINC001607084628 1351411841 /nfs/dbraw/zinc/41/18/41/1351411841.db2.gz QBVBEGBSXPUDPW-NSHDSACASA-N -1 3 344.375 2.394 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC001105326456 769721676 /nfs/dbraw/zinc/72/16/76/769721676.db2.gz QCZDOCWXCQNOSP-UHFFFAOYSA-N -1 3 348.334 2.043 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CC=CC1 ZINC001109616462 805779473 /nfs/dbraw/zinc/77/94/73/805779473.db2.gz BOPYEUKLYZXHTN-UHFFFAOYSA-N -1 3 334.376 2.312 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000055572190 789198251 /nfs/dbraw/zinc/19/82/51/789198251.db2.gz NIYQXZZUXKXRQH-UHFFFAOYSA-N -1 3 337.357 2.295 20 5 EEBDHM CCCCC1(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001093197047 794818321 /nfs/dbraw/zinc/81/83/21/794818321.db2.gz WFOSYIXLMPAQCU-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc2[nH]ccc21 ZINC001094142538 795993221 /nfs/dbraw/zinc/99/32/21/795993221.db2.gz LGMMHGQOSGQYHL-UHFFFAOYSA-N -1 3 341.327 2.019 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCc1ccoc1 ZINC001109401970 805413358 /nfs/dbraw/zinc/41/33/58/805413358.db2.gz QMZCSXNEWZGQMQ-UHFFFAOYSA-N -1 3 348.359 2.182 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C)C2)cc1C ZINC000271262273 256226202 /nfs/dbraw/zinc/22/62/02/256226202.db2.gz MPWCQTKCSSSPRU-VXGBXAGGSA-N -1 3 328.390 2.057 20 5 EEBDHM Cc1c(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cccc1[N+](=O)[O-] ZINC000119753151 292248171 /nfs/dbraw/zinc/24/81/71/292248171.db2.gz QPZAJOZWJWCRPW-UHFFFAOYSA-N -1 3 327.300 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ZINC000193981698 463767984 /nfs/dbraw/zinc/76/79/84/463767984.db2.gz FYWDNEGNPNJUFH-LBPRGKRZSA-N -1 3 348.380 2.222 20 5 EEBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000188648801 464332916 /nfs/dbraw/zinc/33/29/16/464332916.db2.gz AEAAWAKUDDWBEZ-UHFFFAOYSA-N -1 3 330.406 2.305 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c1C ZINC000188931171 464398378 /nfs/dbraw/zinc/39/83/78/464398378.db2.gz KZRAIBNVKGFPOW-QWHCGFSZSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@@H]1CCCCO1 ZINC000272013722 464447415 /nfs/dbraw/zinc/44/74/15/464447415.db2.gz GNXTXJVJXHHUPJ-YPMHNXCESA-N -1 3 328.390 2.139 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)c1C ZINC000272062640 464464324 /nfs/dbraw/zinc/46/43/24/464464324.db2.gz PMXNAIBIENXTDR-TZMCWYRMSA-N -1 3 342.417 2.448 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000294440001 464501160 /nfs/dbraw/zinc/50/11/60/464501160.db2.gz 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342.417 2.163 20 5 EEBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000295183916 464736550 /nfs/dbraw/zinc/73/65/50/464736550.db2.gz CDVOKWMSWAUSHJ-UHFFFAOYSA-N -1 3 335.385 2.246 20 5 EEBDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276249055 464863146 /nfs/dbraw/zinc/86/31/46/464863146.db2.gz RQDNHZBDYZJYQV-SNVBAGLBSA-N -1 3 344.389 2.238 20 5 EEBDHM CC(=O)Nc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1C ZINC000362333427 465660678 /nfs/dbraw/zinc/66/06/78/465660678.db2.gz LMNDSFIGZVSNGG-UHFFFAOYSA-N -1 3 330.300 2.215 20 5 EEBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)o1 ZINC000340351314 466015886 /nfs/dbraw/zinc/01/58/86/466015886.db2.gz VMPPGMLQVGEHMT-UHFFFAOYSA-N -1 3 339.373 2.029 20 5 EEBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000361625408 466155460 /nfs/dbraw/zinc/15/54/60/466155460.db2.gz UUEWOAKKISHDSP-UHFFFAOYSA-N -1 3 336.358 2.161 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)cc1C ZINC000372257746 466254289 /nfs/dbraw/zinc/25/42/89/466254289.db2.gz FVFMQHFLLFHGEY-WFASDCNBSA-N -1 3 340.401 2.057 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]C23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000372302261 466289903 /nfs/dbraw/zinc/28/99/03/466289903.db2.gz QWPGHSZLLXCYKG-UHFFFAOYSA-N -1 3 344.364 2.354 20 5 EEBDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000338725343 466337024 /nfs/dbraw/zinc/33/70/24/466337024.db2.gz MIZFZMMNSUONRS-GXSJLCMTSA-N -1 3 348.808 2.484 20 5 EEBDHM CCOc1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])nn2C)c1F ZINC000361874996 466370872 /nfs/dbraw/zinc/37/08/72/466370872.db2.gz XAAFUHRINXEUPV-UHFFFAOYSA-N -1 3 326.259 2.258 20 5 EEBDHM COC(=O)c1cc(NC(=O)c2cc(OC)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000436526147 467543293 /nfs/dbraw/zinc/54/32/93/467543293.db2.gz DVVHLJPGBWSHNI-UHFFFAOYSA-N -1 3 346.295 2.348 20 5 EEBDHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C)C1 ZINC000436794330 467554525 /nfs/dbraw/zinc/55/45/25/467554525.db2.gz VFYZTHYBOYVGOB-YWPYICTPSA-N -1 3 333.388 2.103 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492513885 467660229 /nfs/dbraw/zinc/66/02/29/467660229.db2.gz ZWBJTSAWKXFDLZ-DJWKRKHSSA-N -1 3 329.312 2.034 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCS[C@H]2C)cc1C ZINC000592112088 468628678 /nfs/dbraw/zinc/62/86/78/468628678.db2.gz LEFZNHPLBZELFM-QWRGUYRKSA-N -1 3 330.431 2.384 20 5 EEBDHM CCc1[nH]nc(C(=O)[N-]c2cc(C(=O)OC)sc2C)c1[N+](=O)[O-] ZINC000597757556 468660856 /nfs/dbraw/zinc/66/08/56/468660856.db2.gz NNJNYVVTNQGVMY-UHFFFAOYSA-N -1 3 338.345 2.289 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CSC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601415298 468864866 /nfs/dbraw/zinc/86/48/66/468864866.db2.gz SDJQNLNZEQLZOP-SCZZXKLOSA-N -1 3 334.394 2.072 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(F)cc1[N+](=O)[O-] ZINC000601433064 468870679 /nfs/dbraw/zinc/87/06/79/468870679.db2.gz ABJPFDFLOSIDTB-LLVKDONJSA-N -1 3 346.380 2.137 20 5 EEBDHM CCOC(=O)c1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000610895387 469107569 /nfs/dbraw/zinc/10/75/69/469107569.db2.gz LATMTKGUALWVBQ-UHFFFAOYSA-N -1 3 336.329 2.184 20 5 EEBDHM CCN(C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)CC(F)(F)F ZINC000596148924 469175549 /nfs/dbraw/zinc/17/55/49/469175549.db2.gz IDRZSPKMJSEVCS-SNVBAGLBSA-N -1 3 348.325 2.406 20 5 EEBDHM O=c1[n-]ccc(N2CCC(OC[C@H]3CCCCO3)CC2)c1[N+](=O)[O-] ZINC000596153964 469177771 /nfs/dbraw/zinc/17/77/71/469177771.db2.gz ZEAMGEBTMGCKJH-CYBMUJFWSA-N -1 3 337.376 2.250 20 5 EEBDHM O=C([N-]OC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1Br ZINC000192387834 534714834 /nfs/dbraw/zinc/71/48/34/534714834.db2.gz OGXJPWMBZJABCK-MRVPVSSYSA-N -1 3 345.149 2.055 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CC2)ccc1Br ZINC000130176690 534880531 /nfs/dbraw/zinc/88/05/31/534880531.db2.gz ACFUBIDDGPYQCF-UHFFFAOYSA-N -1 3 335.179 2.046 20 5 EEBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000183319425 529140182 /nfs/dbraw/zinc/14/01/82/529140182.db2.gz LLCVUSOXFHTVIJ-GFCCVEGCSA-N -1 3 328.390 2.219 20 5 EEBDHM O=[N+]([O-])c1cc(CNCc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000738359701 578010636 /nfs/dbraw/zinc/01/06/36/578010636.db2.gz MGBABXUHTVHDGS-UHFFFAOYSA-N -1 3 334.336 2.265 20 5 EEBDHM O=[N+]([O-])c1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000738359701 578010637 /nfs/dbraw/zinc/01/06/37/578010637.db2.gz MGBABXUHTVHDGS-UHFFFAOYSA-N -1 3 334.336 2.265 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCCc2nccs2)c(-c2nnn[n-]2)c1 ZINC000738370212 578011197 /nfs/dbraw/zinc/01/11/97/578011197.db2.gz ODOUMMGHDRFEGG-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCCc2nccs2)c(-c2nn[n-]n2)c1 ZINC000738370212 578011198 /nfs/dbraw/zinc/01/11/98/578011198.db2.gz ODOUMMGHDRFEGG-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738370717 578011277 /nfs/dbraw/zinc/01/12/77/578011277.db2.gz YENLBDZDLPSWFL-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738370717 578011278 /nfs/dbraw/zinc/01/12/78/578011278.db2.gz YENLBDZDLPSWFL-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=C([N-]OC1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000775247078 577433582 /nfs/dbraw/zinc/43/35/82/577433582.db2.gz ZFCHGLKVSDZHSW-UHFFFAOYSA-N -1 3 345.149 2.198 20 5 EEBDHM CC1CC([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000765193915 577496896 /nfs/dbraw/zinc/49/68/96/577496896.db2.gz FGMZAQJOEPLJQG-UHFFFAOYSA-N -1 3 349.206 2.434 20 5 EEBDHM O=C([O-])[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000739532017 578056958 /nfs/dbraw/zinc/05/69/58/578056958.db2.gz KAYHDAQUBQPIMA-CQSZACIVSA-N -1 3 348.355 2.148 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]2CCO[C@H]21 ZINC000736208088 578187290 /nfs/dbraw/zinc/18/72/90/578187290.db2.gz VYEPODYRUKRYLB-OASPWFOLSA-N -1 3 330.348 2.000 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]2CCO[C@H]21 ZINC000736208088 578187291 /nfs/dbraw/zinc/18/72/91/578187291.db2.gz VYEPODYRUKRYLB-OASPWFOLSA-N -1 3 330.348 2.000 20 5 EEBDHM Cc1noc(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737536633 578262957 /nfs/dbraw/zinc/26/29/57/578262957.db2.gz HJFUETNFHVFPRM-QMMMGPOBSA-N -1 3 343.347 2.423 20 5 EEBDHM Cc1noc(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737536633 578262958 /nfs/dbraw/zinc/26/29/58/578262958.db2.gz HJFUETNFHVFPRM-QMMMGPOBSA-N -1 3 343.347 2.423 20 5 EEBDHM COCC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821685542 599513985 /nfs/dbraw/zinc/51/39/85/599513985.db2.gz HONSQQKTJZFBJY-SECBINFHSA-N -1 3 343.347 2.160 20 5 EEBDHM COCC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821685542 599513987 /nfs/dbraw/zinc/51/39/87/599513987.db2.gz HONSQQKTJZFBJY-SECBINFHSA-N -1 3 343.347 2.160 20 5 EEBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396674 599522180 /nfs/dbraw/zinc/52/21/80/599522180.db2.gz IAJGSZUQSCZRQP-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396674 599522181 /nfs/dbraw/zinc/52/21/81/599522181.db2.gz IAJGSZUQSCZRQP-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000823472281 606514955 /nfs/dbraw/zinc/51/49/55/606514955.db2.gz GVGQQPLXLGPCQG-UHFFFAOYSA-N -1 3 342.340 2.039 20 5 EEBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000823472281 606514958 /nfs/dbraw/zinc/51/49/58/606514958.db2.gz GVGQQPLXLGPCQG-UHFFFAOYSA-N -1 3 342.340 2.039 20 5 EEBDHM Cc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826291951 607872733 /nfs/dbraw/zinc/87/27/33/607872733.db2.gz CFLNQYXQMFZECY-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826291951 607872734 /nfs/dbraw/zinc/87/27/34/607872734.db2.gz CFLNQYXQMFZECY-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293644 607874373 /nfs/dbraw/zinc/87/43/73/607874373.db2.gz WWXPTVKJWRTOLD-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293644 607874374 /nfs/dbraw/zinc/87/43/74/607874374.db2.gz WWXPTVKJWRTOLD-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM CC(C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824216657 608242872 /nfs/dbraw/zinc/24/28/72/608242872.db2.gz USDCLALKUNNALP-YGRLFVJLSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824216657 608242873 /nfs/dbraw/zinc/24/28/73/608242873.db2.gz USDCLALKUNNALP-YGRLFVJLSA-N -1 3 332.364 2.390 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3cc(F)ccc3C2)c(-c2nnn[n-]2)c1 ZINC000826499024 608561139 /nfs/dbraw/zinc/56/11/39/608561139.db2.gz SAFHLFHPASEEMA-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3cc(F)ccc3C2)c(-c2nn[n-]n2)c1 ZINC000826499024 608561141 /nfs/dbraw/zinc/56/11/41/608561141.db2.gz 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000359912600 164195013 /nfs/dbraw/zinc/19/50/13/164195013.db2.gz ORDZMMXCKAXYNS-CYBMUJFWSA-N -1 3 342.417 2.062 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ncccc2F)c1C ZINC000156763742 292559824 /nfs/dbraw/zinc/55/98/24/292559824.db2.gz FDJWGPSAPZHJBE-UHFFFAOYSA-N -1 3 339.348 2.224 20 5 EEBDHM CN(C)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000275472532 269119296 /nfs/dbraw/zinc/11/92/96/269119296.db2.gz MEGSXNHNKZARHY-UHFFFAOYSA-N -1 3 347.824 2.011 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000278883968 269247332 /nfs/dbraw/zinc/24/73/32/269247332.db2.gz ZUWDCRCCKCVQBV-UHFFFAOYSA-N -1 3 346.430 2.167 20 5 EEBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000295264641 293665730 /nfs/dbraw/zinc/66/57/30/293665730.db2.gz DLGFQOCAOAOTTI-UHFFFAOYSA-N -1 3 341.414 2.189 20 5 EEBDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000360888446 294515113 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CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451930219 315467484 /nfs/dbraw/zinc/46/74/84/315467484.db2.gz JEENKXZDAOUJGM-NSHDSACASA-N -1 3 338.389 2.159 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c([N+](=O)[O-])c1 ZINC000452039509 315487541 /nfs/dbraw/zinc/48/75/41/315487541.db2.gz CFMJHCXNLYUMOP-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC1 ZINC000563182072 318980815 /nfs/dbraw/zinc/98/08/15/318980815.db2.gz IHFGFOCUBPVSDW-SECBINFHSA-N -1 3 327.768 2.168 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000190171837 533707988 /nfs/dbraw/zinc/70/79/88/533707988.db2.gz GRCJXDQYCFVZOM-QWHCGFSZSA-N -1 3 342.417 2.041 20 5 EEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000074973455 462660225 /nfs/dbraw/zinc/66/02/25/462660225.db2.gz POWMNUXETUZGQZ-ZDUSSCGKSA-N -1 3 330.406 2.243 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(F)c1 ZINC000193979976 463767836 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20 5 EEBDHM CN(C)Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000356725537 465507756 /nfs/dbraw/zinc/50/77/56/465507756.db2.gz JRPGLZIOMZGRLU-UHFFFAOYSA-N -1 3 347.346 2.431 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)CC3CCCC3)n2)cc1 ZINC000337853974 465630126 /nfs/dbraw/zinc/63/01/26/465630126.db2.gz GRVNTTPADCWSNE-CYBMUJFWSA-N -1 3 332.360 2.998 20 5 EEBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330651758 465746215 /nfs/dbraw/zinc/74/62/15/465746215.db2.gz XZJLRIHIQWCXJC-VHSXEESVSA-N -1 3 348.808 2.342 20 5 EEBDHM COC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1C(=O)OC ZINC000362466877 465761477 /nfs/dbraw/zinc/76/14/77/465761477.db2.gz HQULZLRRSXKECS-UHFFFAOYSA-N -1 3 348.267 2.013 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000371684258 465939793 /nfs/dbraw/zinc/93/97/93/465939793.db2.gz ZRJZPMUQMPZRSN-OAHLLOKOSA-N -1 3 348.380 2.187 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)COCC2CC2)c1C ZINC000593654632 469081278 /nfs/dbraw/zinc/08/12/78/469081278.db2.gz QKGIGQLHKSTJJG-NSHDSACASA-N -1 3 342.417 2.305 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000612174651 469411107 /nfs/dbraw/zinc/41/11/07/469411107.db2.gz VQAUFMVDFNQFLN-CABCVRRESA-N -1 3 340.401 2.139 20 5 EEBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000612674581 469522510 /nfs/dbraw/zinc/52/25/10/469522510.db2.gz QBDMLTFEFJTFBI-JTQLQIEISA-N -1 3 339.373 2.380 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000738367940 578011013 /nfs/dbraw/zinc/01/10/13/578011013.db2.gz XICBWTNUUYSGFP-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738367940 578011014 /nfs/dbraw/zinc/01/10/14/578011014.db2.gz XICBWTNUUYSGFP-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738358996 576343051 /nfs/dbraw/zinc/34/30/51/576343051.db2.gz HZITUCPFFPBHSV-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738358996 576343053 /nfs/dbraw/zinc/34/30/53/576343053.db2.gz HZITUCPFFPBHSV-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM Cc1cnccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000732911241 577197052 /nfs/dbraw/zinc/19/70/52/577197052.db2.gz SJCLQUJHHNGGFO-UHFFFAOYSA-N -1 3 327.749 2.174 20 5 EEBDHM Cc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1Cl ZINC000775676995 577442514 /nfs/dbraw/zinc/44/25/14/577442514.db2.gz PNCJCUNZRAMJTC-UHFFFAOYSA-N -1 3 342.764 2.257 20 5 EEBDHM Cc1cccc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1Cl ZINC000775676995 577442515 /nfs/dbraw/zinc/44/25/15/577442515.db2.gz PNCJCUNZRAMJTC-UHFFFAOYSA-N -1 3 342.764 2.257 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000767697245 577543121 /nfs/dbraw/zinc/54/31/21/577543121.db2.gz BAJPBBYPOWLILE-ZCFIWIBFSA-N -1 3 345.229 2.437 20 5 EEBDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768847691 577564016 /nfs/dbraw/zinc/56/40/16/577564016.db2.gz NHNOULQBVHJDMO-VIFPVBQESA-N -1 3 342.398 2.271 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC2CCC2)cc1C ZINC000742336239 577871285 /nfs/dbraw/zinc/87/12/85/577871285.db2.gz JDIAHSJCYNAYAD-UHFFFAOYSA-N -1 3 328.390 2.059 20 5 EEBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccsc1 ZINC000736143227 578183162 /nfs/dbraw/zinc/18/31/62/578183162.db2.gz SFRJSSPRSSKIRB-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccsc1 ZINC000736143227 578183163 /nfs/dbraw/zinc/18/31/63/578183163.db2.gz SFRJSSPRSSKIRB-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM Cc1ccnc(NCc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000737437758 578257657 /nfs/dbraw/zinc/25/76/57/578257657.db2.gz QFBBVYYQJVFYBJ-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccnc(NCc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000737437758 578257658 /nfs/dbraw/zinc/25/76/58/578257658.db2.gz QFBBVYYQJVFYBJ-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM COc1ccc([C@@H](NCCOc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737971513 578275099 /nfs/dbraw/zinc/27/50/99/578275099.db2.gz KRNHIZFYHHSXSE-MRXNPFEDSA-N -1 3 346.339 2.398 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000826250247 607432054 /nfs/dbraw/zinc/43/20/54/607432054.db2.gz RCWAKBLVVOFYHV-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000826250247 607432055 /nfs/dbraw/zinc/43/20/55/607432055.db2.gz RCWAKBLVVOFYHV-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cnc(OCc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822399541 607039947 /nfs/dbraw/zinc/03/99/47/607039947.db2.gz IYCJQKALXMDBQF-UHFFFAOYSA-N -1 3 330.279 2.196 20 5 EEBDHM Cc1cnc(OCc2cc(F)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822399541 607039948 /nfs/dbraw/zinc/03/99/48/607039948.db2.gz IYCJQKALXMDBQF-UHFFFAOYSA-N -1 3 330.279 2.196 20 5 EEBDHM Cc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826292185 607874195 /nfs/dbraw/zinc/87/41/95/607874195.db2.gz LGFGKGWRQAPRMD-OAHLLOKOSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826292185 607874196 /nfs/dbraw/zinc/87/41/96/607874196.db2.gz LGFGKGWRQAPRMD-OAHLLOKOSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826263804 609383550 /nfs/dbraw/zinc/38/35/50/609383550.db2.gz RFZYELFEFBIDCA-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826263804 609383552 /nfs/dbraw/zinc/38/35/52/609383552.db2.gz RFZYELFEFBIDCA-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM CC(C)(C)/C=C/C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107079262 1193150951 /nfs/dbraw/zinc/15/09/51/1193150951.db2.gz SVBDNADVZGYDRH-DVBIZMGNSA-N -1 3 334.376 2.382 20 5 EEBDHM CCc1occc1C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095536313 1205863193 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2.299 20 5 EEBDHM CC(C)N(CCCNC(=O)C(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102103691 1300311316 /nfs/dbraw/zinc/31/13/16/1300311316.db2.gz JQRMPXQFONZOJP-UHFFFAOYSA-N -1 3 338.408 2.463 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1[nH]c(=S)nc3nc[n-]c31)C2 ZINC001227612910 1301909108 /nfs/dbraw/zinc/90/91/08/1301909108.db2.gz LZPGGHGLUFWHIZ-JTQLQIEISA-N -1 3 329.341 2.096 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837355870 1315072980 /nfs/dbraw/zinc/07/29/80/1315072980.db2.gz JXLFVMYZZCOVBW-UHFFFAOYSA-N -1 3 345.311 2.333 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001164372442 1321364948 /nfs/dbraw/zinc/36/49/48/1321364948.db2.gz NOAWILJAVKXBIV-SECBINFHSA-N -1 3 331.307 2.206 20 5 EEBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1C ZINC001605855858 1351238116 /nfs/dbraw/zinc/23/81/16/1351238116.db2.gz BVHJJWRALPFPDA-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1C ZINC001605855858 1351238120 /nfs/dbraw/zinc/23/81/20/1351238120.db2.gz BVHJJWRALPFPDA-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM O=C(C=Cc1ccccc1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001307099746 1331509603 /nfs/dbraw/zinc/50/96/03/1331509603.db2.gz KCBAKQCVUSBINT-BQYQJAHWSA-N -1 3 342.355 2.327 20 5 EEBDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)o1 ZINC001309575914 1331635230 /nfs/dbraw/zinc/63/52/30/1331635230.db2.gz TUWMKBYFSXTJIL-UHFFFAOYSA-N -1 3 345.764 2.332 20 5 EEBDHM CC(C)[C@H]1C[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001609090871 1351838309 /nfs/dbraw/zinc/83/83/09/1351838309.db2.gz HSFCQCCWIOIUIA-ZWNOBZJWSA-N -1 3 347.379 2.033 20 5 EEBDHM CC(C)[C@H]1C[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001609090871 1351838315 /nfs/dbraw/zinc/83/83/15/1351838315.db2.gz HSFCQCCWIOIUIA-ZWNOBZJWSA-N -1 3 347.379 2.033 20 5 EEBDHM Cc1cc(NC[C@@H](C)Cn2cccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409823 1351965114 /nfs/dbraw/zinc/96/51/14/1351965114.db2.gz YDRBPEKUYQWYPZ-SNVBAGLBSA-N -1 3 342.363 2.028 20 5 EEBDHM Cc1cc(NC[C@@H](C)Cn2cccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409823 1351965119 /nfs/dbraw/zinc/96/51/19/1351965119.db2.gz YDRBPEKUYQWYPZ-SNVBAGLBSA-N -1 3 342.363 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCO[C@H]1CCCCO1 ZINC001609600171 1352031278 /nfs/dbraw/zinc/03/12/78/1352031278.db2.gz ULGOPMZHSVJSNV-AWEZNQCLSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCO[C@H]1CCCCO1 ZINC001609600171 1352031282 /nfs/dbraw/zinc/03/12/82/1352031282.db2.gz ULGOPMZHSVJSNV-AWEZNQCLSA-N -1 3 348.363 2.120 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001340072846 1337119078 /nfs/dbraw/zinc/11/90/78/1337119078.db2.gz JCOWXSUBMTZRSO-UHFFFAOYSA-N -1 3 344.371 2.033 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC001582804102 1344792732 /nfs/dbraw/zinc/79/27/32/1344792732.db2.gz IYQRNXMXARBLAC-UHFFFAOYSA-N -1 3 347.316 2.357 20 5 EEBDHM CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-c2nnn[n-]2)c1 ZINC001589319813 1348982639 /nfs/dbraw/zinc/98/26/39/1348982639.db2.gz XAFYMVZTGVJLRB-UHFFFAOYSA-N -1 3 342.315 2.033 20 5 EEBDHM CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-c2nn[n-]n2)c1 ZINC001589319813 1348982642 /nfs/dbraw/zinc/98/26/42/1348982642.db2.gz XAFYMVZTGVJLRB-UHFFFAOYSA-N -1 3 342.315 2.033 20 5 EEBDHM CC(C)CO[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589640245 1349014616 /nfs/dbraw/zinc/01/46/16/1349014616.db2.gz HLNOKIKOVZAVQI-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)CO[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589640245 1349014622 /nfs/dbraw/zinc/01/46/22/1349014622.db2.gz HLNOKIKOVZAVQI-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133863 1349168845 /nfs/dbraw/zinc/16/88/45/1349168845.db2.gz HTSLPOISIQXXEB-HOCLYGCPSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133863 1349168851 /nfs/dbraw/zinc/16/88/51/1349168851.db2.gz HTSLPOISIQXXEB-HOCLYGCPSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@H]1COC2(CCCC2)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590322435 1349263086 /nfs/dbraw/zinc/26/30/86/1349263086.db2.gz BNTHPZGIFYOEBL-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@H]1COC2(CCCC2)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590322435 1349263089 /nfs/dbraw/zinc/26/30/89/1349263089.db2.gz BNTHPZGIFYOEBL-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001591614426 1349514701 /nfs/dbraw/zinc/51/47/01/1349514701.db2.gz LYLOQIFADPIWTB-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001591614426 1349514706 /nfs/dbraw/zinc/51/47/06/1349514706.db2.gz LYLOQIFADPIWTB-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM Cc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC001591937022 1349560362 /nfs/dbraw/zinc/56/03/62/1349560362.db2.gz CXTJSVFNDAPESS-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC001591937022 1349560368 /nfs/dbraw/zinc/56/03/68/1349560368.db2.gz CXTJSVFNDAPESS-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cn1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC001592574856 1349661033 /nfs/dbraw/zinc/66/10/33/1349661033.db2.gz PQTHAAFSXBCKNZ-UHFFFAOYSA-N -1 3 326.320 2.129 20 5 EEBDHM Cn1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC001592574856 1349661035 /nfs/dbraw/zinc/66/10/35/1349661035.db2.gz PQTHAAFSXBCKNZ-UHFFFAOYSA-N -1 3 326.320 2.129 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592756566 1349712634 /nfs/dbraw/zinc/71/26/34/1349712634.db2.gz BFUCXBKQHUHWIP-ZETCQYMHSA-N -1 3 339.306 2.347 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592756566 1349712638 /nfs/dbraw/zinc/71/26/38/1349712638.db2.gz BFUCXBKQHUHWIP-ZETCQYMHSA-N -1 3 339.306 2.347 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC2(CCCCO2)CC1 ZINC001593474432 1349807771 /nfs/dbraw/zinc/80/77/71/1349807771.db2.gz JAKXLXSESOYCDX-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC2(CCCCO2)CC1 ZINC001593474432 1349807774 /nfs/dbraw/zinc/80/77/74/1349807774.db2.gz JAKXLXSESOYCDX-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM Cc1nn(CN(CC(C)C)CC(C)(C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600788249 1350137465 /nfs/dbraw/zinc/13/74/65/1350137465.db2.gz VMWVLCZHRXCSOA-UHFFFAOYSA-N -1 3 326.397 2.434 20 5 EEBDHM CC(C)(C)/C=C/C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603069226 1350631845 /nfs/dbraw/zinc/63/18/45/1350631845.db2.gz SIDDZQHGIAMVIP-BQYQJAHWSA-N -1 3 331.332 2.420 20 5 EEBDHM CC(C)(C)/C=C/C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603069226 1350631846 /nfs/dbraw/zinc/63/18/46/1350631846.db2.gz SIDDZQHGIAMVIP-BQYQJAHWSA-N -1 3 331.332 2.420 20 5 EEBDHM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001603180758 1350657717 /nfs/dbraw/zinc/65/77/17/1350657717.db2.gz LEGLBTPKDAVMCQ-ZLENFMNRSA-N -1 3 347.371 2.251 20 5 EEBDHM CC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC001604107127 1350860008 /nfs/dbraw/zinc/86/00/08/1350860008.db2.gz CIXBNXRMIRWGRS-KBPBESRZSA-N -1 3 346.391 2.164 20 5 EEBDHM CC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC001604107127 1350860011 /nfs/dbraw/zinc/86/00/11/1350860011.db2.gz CIXBNXRMIRWGRS-KBPBESRZSA-N -1 3 346.391 2.164 20 5 EEBDHM COc1ccc2c(c1)CCN2c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605308670 1351132697 /nfs/dbraw/zinc/13/26/97/1351132697.db2.gz KHJKKLLJVNGBSO-UHFFFAOYSA-N -1 3 338.327 2.478 20 5 EEBDHM COc1ccc2c(c1)CCN2c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605308670 1351132699 /nfs/dbraw/zinc/13/26/99/1351132699.db2.gz KHJKKLLJVNGBSO-UHFFFAOYSA-N -1 3 338.327 2.478 20 5 EEBDHM CS[C@H]1CCCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001605369953 1351145834 /nfs/dbraw/zinc/14/58/34/1351145834.db2.gz CJAXQDJNYZLRJR-NSHDSACASA-N -1 3 334.405 2.497 20 5 EEBDHM CS[C@H]1CCCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001605369953 1351145837 /nfs/dbraw/zinc/14/58/37/1351145837.db2.gz CJAXQDJNYZLRJR-NSHDSACASA-N -1 3 334.405 2.497 20 5 EEBDHM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001605857944 1351238650 /nfs/dbraw/zinc/23/86/50/1351238650.db2.gz CQQOWBWPCYTEFG-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001605857944 1351238653 /nfs/dbraw/zinc/23/86/53/1351238653.db2.gz CQQOWBWPCYTEFG-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H](F)C1 ZINC001606973802 1351388935 /nfs/dbraw/zinc/38/89/35/1351388935.db2.gz LXOWJWFVWKZQMM-VHSXEESVSA-N -1 3 349.322 2.346 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H](F)C1 ZINC001606973802 1351388940 /nfs/dbraw/zinc/38/89/40/1351388940.db2.gz LXOWJWFVWKZQMM-VHSXEESVSA-N -1 3 349.322 2.346 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](F)C1 ZINC001606973800 1351389293 /nfs/dbraw/zinc/38/92/93/1351389293.db2.gz LXOWJWFVWKZQMM-NXEZZACHSA-N -1 3 349.322 2.346 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](F)C1 ZINC001606973800 1351389298 /nfs/dbraw/zinc/38/92/98/1351389298.db2.gz LXOWJWFVWKZQMM-NXEZZACHSA-N -1 3 349.322 2.346 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC(F)(F)Br ZINC001607082754 1351410710 /nfs/dbraw/zinc/41/07/10/1351410710.db2.gz RPOMYISOXKCDFQ-UHFFFAOYSA-N -1 3 349.095 2.175 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC(F)(F)Br ZINC001607082754 1351410712 /nfs/dbraw/zinc/41/07/12/1351410712.db2.gz RPOMYISOXKCDFQ-UHFFFAOYSA-N -1 3 349.095 2.175 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CCCC1 ZINC001105316686 769693493 /nfs/dbraw/zinc/69/34/93/769693493.db2.gz NNBFBGWOKSDCPZ-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001112162403 781727077 /nfs/dbraw/zinc/72/70/77/781727077.db2.gz IOSVCIUGESEYMJ-ITGUQSILSA-N -1 3 348.403 2.026 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1C=CC=CC=C1 ZINC001107376584 787043701 /nfs/dbraw/zinc/04/37/01/787043701.db2.gz OEFNNLOEGMMWMF-WAYWQWQTSA-N -1 3 342.355 2.078 20 5 EEBDHM O=C(C1CCC1)N1C[C@H]2CCC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001064502927 793229576 /nfs/dbraw/zinc/22/95/76/793229576.db2.gz JBBFFZTYNWASMN-BETUJISGSA-N -1 3 346.387 2.065 20 5 EEBDHM CCCC1(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001093189831 794853140 /nfs/dbraw/zinc/85/31/40/794853140.db2.gz GYGTZJOWZMKCMY-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(C2CC2)s1 ZINC001093747000 795652629 /nfs/dbraw/zinc/65/26/29/795652629.db2.gz XDQGJKZVICZMCX-UHFFFAOYSA-N -1 3 348.384 2.476 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccsc1Cl ZINC001093873817 795754393 /nfs/dbraw/zinc/75/43/93/795754393.db2.gz CMLAINWISABRDJ-UHFFFAOYSA-N -1 3 342.764 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NAHAKYNBUTYXPP-UHFFFAOYSA-N -1 3 344.323 2.212 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000277647767 269167310 /nfs/dbraw/zinc/16/73/10/269167310.db2.gz FEHQAFARVBIBFH-UHFFFAOYSA-N -1 3 347.396 2.347 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c1[N+](=O)[O-] ZINC000280254234 269343518 /nfs/dbraw/zinc/34/35/18/269343518.db2.gz NKKFCOSKWVHAOK-CYBMUJFWSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000288367894 275051080 /nfs/dbraw/zinc/05/10/80/275051080.db2.gz JFHQRVPKEDXLSN-LBPRGKRZSA-N -1 3 348.380 2.358 20 5 EEBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000291792228 275340741 /nfs/dbraw/zinc/34/07/41/275340741.db2.gz XXTIYBCQCQIZJL-CYBMUJFWSA-N -1 3 348.808 2.342 20 5 EEBDHM C[C@H](C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000237444201 279239732 /nfs/dbraw/zinc/23/97/32/279239732.db2.gz KXHYBUXMBQKJIQ-SECBINFHSA-N -1 3 347.293 2.209 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000287475589 293062805 /nfs/dbraw/zinc/06/28/05/293062805.db2.gz PZMANJOZLZCVCV-SNVBAGLBSA-N -1 3 346.430 2.025 20 5 EEBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000416595715 313268989 /nfs/dbraw/zinc/26/89/89/313268989.db2.gz MRQWETDRYXENFM-ABAIWWIYSA-N -1 3 342.417 2.385 20 5 EEBDHM COC(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000495912865 316168951 /nfs/dbraw/zinc/16/89/51/316168951.db2.gz UAYHSUROVMBEHW-UHFFFAOYSA-N -1 3 346.299 2.434 20 5 EEBDHM O=[N+]([O-])c1cc(Br)ccc1Sc1n[n-]c(CO)n1 ZINC000526074517 317114963 /nfs/dbraw/zinc/11/49/63/317114963.db2.gz ACXFEMMILYMIGG-UHFFFAOYSA-N -1 3 331.151 2.119 20 5 EEBDHM COc1cc(CN[C@@H](C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000570689253 319689072 /nfs/dbraw/zinc/68/90/72/319689072.db2.gz KBZIDOBAZIRKFO-SFYZADRCSA-N -1 3 348.302 2.404 20 5 EEBDHM COC(=O)[C@]12CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000339163383 465117312 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CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157766238 463167044 /nfs/dbraw/zinc/16/70/44/463167044.db2.gz ZYCMCCITFRMQFC-YPMHNXCESA-N -1 3 328.390 2.139 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(Cl)c1 ZINC000145422234 463381591 /nfs/dbraw/zinc/38/15/91/463381591.db2.gz MIKVIILSEFKDGY-SNVBAGLBSA-N -1 3 334.781 2.096 20 5 EEBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000059384531 463642598 /nfs/dbraw/zinc/64/25/98/463642598.db2.gz RKJQKPSVSXUNOZ-UHFFFAOYSA-N -1 3 341.414 2.485 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccccc1F ZINC000193985354 463768888 /nfs/dbraw/zinc/76/88/88/463768888.db2.gz CPDOCKKQPLGKLS-UHFFFAOYSA-N -1 3 340.332 2.221 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000287121254 463806933 /nfs/dbraw/zinc/80/69/33/463806933.db2.gz ASNRWIJMSWOTGG-LLVKDONJSA-N -1 3 330.431 2.325 20 5 EEBDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000271686612 464359345 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@H](O)c1ccccc1 ZINC000823629867 599086234 /nfs/dbraw/zinc/08/62/34/599086234.db2.gz KFYUDQLVCWZSPS-HNNXBMFYSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@H](O)c1ccccc1 ZINC000823629867 599086237 /nfs/dbraw/zinc/08/62/37/599086237.db2.gz KFYUDQLVCWZSPS-HNNXBMFYSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2ccc(F)cc2C1 ZINC000823629929 607332238 /nfs/dbraw/zinc/33/22/38/607332238.db2.gz MJTPSWFKVRUOBB-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2ccc(F)cc2C1 ZINC000823629929 607332239 /nfs/dbraw/zinc/33/22/39/607332239.db2.gz MJTPSWFKVRUOBB-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM CC(C)CN(CCC(=O)[O-])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000833486548 604577334 /nfs/dbraw/zinc/57/73/34/604577334.db2.gz LRMISWDKUXONPA-UHFFFAOYSA-N -1 3 338.360 2.299 20 5 EEBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000820508615 606230577 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COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609359253 1351945530 /nfs/dbraw/zinc/94/55/30/1351945530.db2.gz FWHYQIUXPFQRPE-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC001609601443 1352030606 /nfs/dbraw/zinc/03/06/06/1352030606.db2.gz XOOCEGOPDKRXIX-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC001609601443 1352030609 /nfs/dbraw/zinc/03/06/09/1352030609.db2.gz XOOCEGOPDKRXIX-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1cc(NCC2(CCO)CCCC2)ccc1-c1nnn[n-]1 ZINC001609600965 1352031113 /nfs/dbraw/zinc/03/11/13/1352031113.db2.gz LCXICQQYNYBIQW-UHFFFAOYSA-N -1 3 332.364 2.130 20 5 EEBDHM Cc1ncsc1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592426041 1349629493 /nfs/dbraw/zinc/62/94/93/1349629493.db2.gz ONQNLFBLWFDSQP-UHFFFAOYSA-N -1 3 335.324 2.291 20 5 EEBDHM Cc1ncsc1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592426041 1349629496 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ORQOYWQSVZFZAS-UHFFFAOYSA-N -1 3 336.355 2.454 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(Cc2ccccc2)C1 ZINC001593481094 1349813421 /nfs/dbraw/zinc/81/34/21/1349813421.db2.gz ORQOYWQSVZFZAS-UHFFFAOYSA-N -1 3 336.355 2.454 20 5 EEBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001593483179 1349814149 /nfs/dbraw/zinc/81/41/49/1349814149.db2.gz LYSJCCSRVNJKTL-AWEZNQCLSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001593483179 1349814152 /nfs/dbraw/zinc/81/41/52/1349814152.db2.gz LYSJCCSRVNJKTL-AWEZNQCLSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001593486985 1349814846 /nfs/dbraw/zinc/81/48/46/1349814846.db2.gz FUBQMWJERDKBHW-UHFFFAOYSA-N -1 3 347.338 2.357 20 5 EEBDHM O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001593486985 1349814850 /nfs/dbraw/zinc/81/48/50/1349814850.db2.gz FUBQMWJERDKBHW-UHFFFAOYSA-N -1 3 347.338 2.357 20 5 EEBDHM 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606426162 /nfs/dbraw/zinc/42/61/62/606426162.db2.gz AJKLETLIBFCWAN-NSHDSACASA-N -1 3 346.372 2.290 20 5 EEBDHM Cc1ccsc1[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822379296 606426264 /nfs/dbraw/zinc/42/62/64/606426264.db2.gz MYMWBOUFLRNNKH-LBPRGKRZSA-N -1 3 346.372 2.290 20 5 EEBDHM Cc1ccsc1[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822379296 606426266 /nfs/dbraw/zinc/42/62/66/606426266.db2.gz MYMWBOUFLRNNKH-LBPRGKRZSA-N -1 3 346.372 2.290 20 5 EEBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826498663 607873614 /nfs/dbraw/zinc/87/36/14/607873614.db2.gz DVEAWDDPFPGJBJ-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826498663 607873615 /nfs/dbraw/zinc/87/36/15/607873615.db2.gz DVEAWDDPFPGJBJ-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2ccsc2C1 ZINC000826497648 608019227 /nfs/dbraw/zinc/01/92/27/608019227.db2.gz OLUGGJTZLBYZIL-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2ccsc2C1 ZINC000826497648 608019228 /nfs/dbraw/zinc/01/92/28/608019228.db2.gz OLUGGJTZLBYZIL-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM COc1c([O-])ccc(CN2CCO[C@@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000892182281 678217898 /nfs/dbraw/zinc/21/78/98/678217898.db2.gz BRCIFZMPJVQXOJ-CQSZACIVSA-N -1 3 334.328 2.476 20 5 EEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2c(cc1[O-])OCO2 ZINC000436528942 694262450 /nfs/dbraw/zinc/26/24/50/694262450.db2.gz YVMMMTLLAFZMGJ-UHFFFAOYSA-N -1 3 330.296 2.002 20 5 EEBDHM Cc1ccnc(NC/C=C\CNC(=O)c2ccccc2[O-])c1[N+](=O)[O-] ZINC001107047042 1193005863 /nfs/dbraw/zinc/00/58/63/1193005863.db2.gz LDZKNJOARCGUSZ-PLNGDYQASA-N -1 3 342.355 2.402 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001105513286 1188138470 /nfs/dbraw/zinc/13/84/70/1188138470.db2.gz YZNKZIJSTOYORZ-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OC/C=C\Cl ZINC000812407402 1200709241 /nfs/dbraw/zinc/70/92/41/1200709241.db2.gz AQUUTWPEFRERCI-BHQIHCQQSA-N -1 3 329.696 2.236 20 5 EEBDHM CC(C)C1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097251417 1243896377 /nfs/dbraw/zinc/89/63/77/1243896377.db2.gz SCWNXKWKCIBAIA-PHIMTYICSA-N -1 3 334.376 2.191 20 5 EEBDHM O=C(/C=C\C1CC1)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057483723 1243936770 /nfs/dbraw/zinc/93/67/70/1243936770.db2.gz JVCAJXMJPABBEW-ARJAWSKDSA-N -1 3 346.387 2.312 20 5 EEBDHM CN(C(=O)C=C1CCC1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001058044623 1248354483 /nfs/dbraw/zinc/35/44/83/1248354483.db2.gz VPYFLGPCEXHHNH-UHFFFAOYSA-N -1 3 346.387 2.233 20 5 EEBDHM C[C@H](CN(C)c1cccc(Br)c1[N+](=O)[O-])c1nnn[n-]1 ZINC000856740967 1293615198 /nfs/dbraw/zinc/61/51/98/1293615198.db2.gz USMPNJXYNQXNJF-SSDOTTSWSA-N -1 3 341.169 2.110 20 5 EEBDHM C[C@H](CN(C)c1cccc(Br)c1[N+](=O)[O-])c1nn[n-]n1 ZINC000856740967 1293615201 /nfs/dbraw/zinc/61/52/01/1293615201.db2.gz USMPNJXYNQXNJF-SSDOTTSWSA-N -1 3 341.169 2.110 20 5 EEBDHM Cc1nc(O[C@H]2CCN3Cc4ccccc4N=C23)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382134 1302756077 /nfs/dbraw/zinc/75/60/77/1302756077.db2.gz PYMBHQNBJCKQGG-LBPRGKRZSA-N -1 3 341.327 2.096 20 5 EEBDHM COc1cc(NCCc2c(C)[n-][nH]c2=O)c(Cl)cc1[N+](=O)[O-] ZINC001306967971 1331503865 /nfs/dbraw/zinc/50/38/65/1331503865.db2.gz HTHWFLFYBGHNIS-QMMMGPOBSA-N -1 3 326.740 2.181 20 5 EEBDHM CC(C)(NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001609085000 1351835380 /nfs/dbraw/zinc/83/53/80/1351835380.db2.gz PQAPEALWUPEJCF-UHFFFAOYSA-N -1 3 339.359 2.195 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001329400950 1334642290 /nfs/dbraw/zinc/64/22/90/1334642290.db2.gz SQLPSLOZECAXNP-UHFFFAOYSA-N -1 3 335.291 2.214 20 5 EEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609479745 1351992484 /nfs/dbraw/zinc/99/24/84/1351992484.db2.gz LCUKXSSXPKROFP-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609479745 1351992486 /nfs/dbraw/zinc/99/24/86/1351992486.db2.gz LCUKXSSXPKROFP-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cc1cc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581032702 1344582804 /nfs/dbraw/zinc/58/28/04/1344582804.db2.gz LQHBIVFDLJJHGH-TUAOUCFPSA-N -1 3 342.359 2.086 20 5 EEBDHM Cc1cc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581032702 1344582808 /nfs/dbraw/zinc/58/28/08/1344582808.db2.gz LQHBIVFDLJJHGH-TUAOUCFPSA-N -1 3 342.359 2.086 20 5 EEBDHM CC(C)(C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589119752 1348961902 /nfs/dbraw/zinc/96/19/02/1348961902.db2.gz YAOXFKXCXZFXMH-SNVBAGLBSA-N -1 3 331.380 2.432 20 5 EEBDHM CC(C)(C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589119752 1348961905 /nfs/dbraw/zinc/96/19/05/1348961905.db2.gz YAOXFKXCXZFXMH-SNVBAGLBSA-N -1 3 331.380 2.432 20 5 EEBDHM C[C@@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590024751 1349114261 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2.499 20 5 EEBDHM CCOC1(C)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590784698 1349399226 /nfs/dbraw/zinc/39/92/26/1349399226.db2.gz YWTRMFZSYZOGKA-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM CCOC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590784698 1349399235 /nfs/dbraw/zinc/39/92/35/1349399235.db2.gz YWTRMFZSYZOGKA-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM COCC1(C2CCC2)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591385269 1349478759 /nfs/dbraw/zinc/47/87/59/1349478759.db2.gz MDAATRHPVQXMQV-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC001591868233 1349553421 /nfs/dbraw/zinc/55/34/21/1349553421.db2.gz ZLRPGIMPDLWVSB-UHFFFAOYSA-N -1 3 325.332 2.206 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC001591868233 1349553429 /nfs/dbraw/zinc/55/34/29/1349553429.db2.gz ZLRPGIMPDLWVSB-UHFFFAOYSA-N -1 3 325.332 2.206 20 5 EEBDHM Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592018993 1349582873 /nfs/dbraw/zinc/58/28/73/1349582873.db2.gz YMAMSPQZAZDQDM-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592018993 1349582876 /nfs/dbraw/zinc/58/28/76/1349582876.db2.gz YMAMSPQZAZDQDM-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592198026 1349606123 /nfs/dbraw/zinc/60/61/23/1349606123.db2.gz ULJKBGTZVKBNDA-UHFFFAOYSA-N -1 3 343.259 2.179 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592198026 1349606127 /nfs/dbraw/zinc/60/61/27/1349606127.db2.gz ULJKBGTZVKBNDA-UHFFFAOYSA-N -1 3 343.259 2.179 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(C3CCC3)CC2)c1-c1nnn[n-]1 ZINC001592757189 1349712907 /nfs/dbraw/zinc/71/29/07/1349712907.db2.gz NJRJKZYUPYLTFK-UHFFFAOYSA-N -1 3 343.391 2.374 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(C3CCC3)CC2)c1-c1nn[n-]n1 ZINC001592757189 1349712909 /nfs/dbraw/zinc/71/29/09/1349712909.db2.gz 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ZINC001059633145 687592175 /nfs/dbraw/zinc/59/21/75/687592175.db2.gz ZSOVEBVWUBKXSK-BETUJISGSA-N -1 3 342.355 2.377 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001107015214 1192657219 /nfs/dbraw/zinc/65/72/19/1192657219.db2.gz VWMPOOPMXLKYDA-UPHRSURJSA-N -1 3 346.318 2.233 20 5 EEBDHM COc1ccc(COC(=O)c2cccc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000800208651 1202221358 /nfs/dbraw/zinc/22/13/58/1202221358.db2.gz LMVAATFHOMZZEL-UHFFFAOYSA-N -1 3 328.284 2.232 20 5 EEBDHM COc1ccc(COC(=O)c2cccc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000800208651 1202221359 /nfs/dbraw/zinc/22/13/59/1202221359.db2.gz LMVAATFHOMZZEL-UHFFFAOYSA-N -1 3 328.284 2.232 20 5 EEBDHM COc1ccc(COC(=O)c2cccc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000800208651 1202221360 /nfs/dbraw/zinc/22/13/60/1202221360.db2.gz LMVAATFHOMZZEL-UHFFFAOYSA-N -1 3 328.284 2.232 20 5 EEBDHM CC(C)=C(F)C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095401382 1204889548 /nfs/dbraw/zinc/88/95/48/1204889548.db2.gz RHFUOFKTUFCBFN-UHFFFAOYSA-N -1 3 338.339 2.044 20 5 EEBDHM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000777947759 1206595137 /nfs/dbraw/zinc/59/51/37/1206595137.db2.gz VXPXUIMMSPPUTC-UHFFFAOYSA-N -1 3 349.293 2.442 20 5 EEBDHM CC(C)=CC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096000455 1233385189 /nfs/dbraw/zinc/38/51/89/1233385189.db2.gz OUPOKOQTCPLDBN-UHFFFAOYSA-N -1 3 334.376 2.137 20 5 EEBDHM CCC1(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001057418343 1243694638 /nfs/dbraw/zinc/69/46/38/1243694638.db2.gz UJTXKGXUOUDCII-UHFFFAOYSA-N -1 3 334.376 2.289 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(F)=C1CCCC1 ZINC001101558290 1245961376 /nfs/dbraw/zinc/96/13/76/1245961376.db2.gz FXQLVCNDSKNXBX-UHFFFAOYSA-N -1 3 338.339 2.363 20 5 EEBDHM CN(C(=O)C(C)(C)C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001058054112 1248371913 /nfs/dbraw/zinc/37/19/13/1248371913.db2.gz HHQFZWUPVVPQAZ-UHFFFAOYSA-N -1 3 336.392 2.169 20 5 EEBDHM CCOC(=O)c1cc(Nc2ccc(C(N)=O)c([O-])c2)cc([N+](=O)[O-])c1 ZINC001211375495 1295858104 /nfs/dbraw/zinc/85/81/04/1295858104.db2.gz HWJSPIGYOSFDBY-UHFFFAOYSA-N -1 3 345.311 2.320 20 5 EEBDHM Cc1cccc(CC(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001101943951 1300048854 /nfs/dbraw/zinc/04/88/54/1300048854.db2.gz UJAQNAXIXAIDJO-UHFFFAOYSA-N -1 3 344.371 2.117 20 5 EEBDHM Cc1cc2[n-]c(O[C@@H]3[C@H]4C[C@H]5C(=O)O[C@@H]3[C@H]5C4)nc2cc1[N+](=O)[O-] ZINC001228676112 1302374318 /nfs/dbraw/zinc/37/43/18/1302374318.db2.gz VTJSHQXSULJSEP-VSUSAZAXSA-N -1 3 329.312 2.108 20 5 EEBDHM O=c1nc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c([n-]1)CCS2 ZINC001230789850 1303458993 /nfs/dbraw/zinc/45/89/93/1303458993.db2.gz DVIHDHOFEWAATM-NSHDSACASA-N -1 3 331.353 2.285 20 5 EEBDHM CC(C)(CCC(=O)OCc1noc(-c2ccccc2[O-])n1)[N+](=O)[O-] ZINC000837925860 1315122688 /nfs/dbraw/zinc/12/26/88/1315122688.db2.gz XXMDXUUVVCGLLF-UHFFFAOYSA-N -1 3 335.316 2.321 20 5 EEBDHM CN1CCN(c2ncccc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210393620 1325263434 /nfs/dbraw/zinc/26/34/34/1325263434.db2.gz WPNHFODFBJMJTF-UHFFFAOYSA-N -1 3 329.360 2.191 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC001309588855 1331634897 /nfs/dbraw/zinc/63/48/97/1331634897.db2.gz ZBVBHAQZFALVCF-KOLCDFICSA-N -1 3 336.435 2.039 20 5 EEBDHM C/C(=C/C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001609060477 1351827594 /nfs/dbraw/zinc/82/75/94/1351827594.db2.gz MTTRPMLSCDZFEA-CLFYSBASSA-N -1 3 329.316 2.174 20 5 EEBDHM C/C(=C/C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001609060477 1351827598 /nfs/dbraw/zinc/82/75/98/1351827598.db2.gz MTTRPMLSCDZFEA-CLFYSBASSA-N -1 3 329.316 2.174 20 5 EEBDHM C[C@@H]1CC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609161739 1351870462 /nfs/dbraw/zinc/87/04/62/1351870462.db2.gz YOWWZVGLGDLQSX-ZJUUUORDSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H]1CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609161739 1351870467 /nfs/dbraw/zinc/87/04/67/1351870467.db2.gz YOWWZVGLGDLQSX-ZJUUUORDSA-N -1 3 331.332 2.254 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCCC(F)(F)C1 ZINC001609600672 1352030428 /nfs/dbraw/zinc/03/04/28/1352030428.db2.gz XWQPCYJIMHKCQN-MRVPVSSYSA-N -1 3 325.279 2.160 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCCC(F)(F)C1 ZINC001609600672 1352030431 /nfs/dbraw/zinc/03/04/31/1352030431.db2.gz XWQPCYJIMHKCQN-MRVPVSSYSA-N -1 3 325.279 2.160 20 5 EEBDHM COc1cc(C[NH2+][C@H](C)[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001345636572 1337454855 /nfs/dbraw/zinc/45/48/55/1337454855.db2.gz MTIVDVMUIAKEAF-YMTOWFKASA-N -1 3 326.349 2.144 20 5 EEBDHM CCN(CCNC(=O)c1cccs1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100428564 1338365739 /nfs/dbraw/zinc/36/57/39/1338365739.db2.gz ZSXJGKDYXKXPNH-UHFFFAOYSA-N -1 3 336.373 2.013 20 5 EEBDHM CC(C)(C)C1=CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589096763 1348958428 /nfs/dbraw/zinc/95/84/28/1348958428.db2.gz RJDSGBSIYRJOLH-UHFFFAOYSA-N -1 3 329.364 2.353 20 5 EEBDHM CC(C)(C)C1=CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589096763 1348958430 /nfs/dbraw/zinc/95/84/30/1348958430.db2.gz RJDSGBSIYRJOLH-UHFFFAOYSA-N -1 3 329.364 2.353 20 5 EEBDHM C[C@@H](CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001589795255 1349045421 /nfs/dbraw/zinc/04/54/21/1349045421.db2.gz LIAKAASMCYHSFL-VIFPVBQESA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H](CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001589795255 1349045425 /nfs/dbraw/zinc/04/54/25/1349045425.db2.gz LIAKAASMCYHSFL-VIFPVBQESA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226475 1349210107 /nfs/dbraw/zinc/21/01/07/1349210107.db2.gz PSEFOVGNAOJPOZ-GXSJLCMTSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226475 1349210109 /nfs/dbraw/zinc/21/01/09/1349210109.db2.gz PSEFOVGNAOJPOZ-GXSJLCMTSA-N -1 3 331.332 2.254 20 5 EEBDHM CCN(CC(F)F)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590682773 1349388937 /nfs/dbraw/zinc/38/89/37/1349388937.db2.gz LOGUWTMDLGERJU-UHFFFAOYSA-N -1 3 349.301 2.415 20 5 EEBDHM CCN(CC(F)F)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590682773 1349388943 /nfs/dbraw/zinc/38/89/43/1349388943.db2.gz LOGUWTMDLGERJU-UHFFFAOYSA-N -1 3 349.301 2.415 20 5 EEBDHM COC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccco1 ZINC001591382276 1349476563 /nfs/dbraw/zinc/47/65/63/1349476563.db2.gz HLRFBCTWXYXQKE-LLVKDONJSA-N -1 3 330.304 2.168 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001591494004 1349493791 /nfs/dbraw/zinc/49/37/91/1349493791.db2.gz DJSDQLLELBFEMJ-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001591494004 1349493795 /nfs/dbraw/zinc/49/37/95/1349493795.db2.gz DJSDQLLELBFEMJ-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM C[C@@H](NCc1cccc(-c2nnn[n-]2)n1)c1ccccc1[N+](=O)[O-] ZINC001591730604 1349536195 /nfs/dbraw/zinc/53/61/95/1349536195.db2.gz YKTNCAACZNOXJJ-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@@H](NCc1cccc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001591730604 1349536202 /nfs/dbraw/zinc/53/62/02/1349536202.db2.gz YKTNCAACZNOXJJ-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM Cc1csc([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592313399 1349620130 /nfs/dbraw/zinc/62/01/30/1349620130.db2.gz RIEZYCMZIKXCLB-SECBINFHSA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1csc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592313399 1349620133 /nfs/dbraw/zinc/62/01/33/1349620133.db2.gz RIEZYCMZIKXCLB-SECBINFHSA-N -1 3 345.388 2.391 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCCCS2)c1-c1nnn[n-]1 ZINC001592757084 1349714094 /nfs/dbraw/zinc/71/40/94/1349714094.db2.gz HFPYTPFOQDFQDV-QMMMGPOBSA-N -1 3 335.393 2.055 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCCCS2)c1-c1nn[n-]n1 ZINC001592757084 1349714097 /nfs/dbraw/zinc/71/40/97/1349714097.db2.gz HFPYTPFOQDFQDV-QMMMGPOBSA-N -1 3 335.393 2.055 20 5 EEBDHM O=C(CCC1CCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592830192 1349717555 /nfs/dbraw/zinc/71/75/55/1349717555.db2.gz UAPVRRRXZUCKKM-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM O=C(CCC1CCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592830192 1349717558 /nfs/dbraw/zinc/71/75/58/1349717558.db2.gz UAPVRRRXZUCKKM-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc(-c2nnn[n-]2)c1 ZINC001593211778 1349746876 /nfs/dbraw/zinc/74/68/76/1349746876.db2.gz AKMHJHAOJZEZOI-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCc1cccs1 ZINC001593472292 1349806976 /nfs/dbraw/zinc/80/69/76/1349806976.db2.gz XYLPSBNQFRYDHG-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCc1cccs1 ZINC001593472292 1349806977 /nfs/dbraw/zinc/80/69/77/1349806977.db2.gz XYLPSBNQFRYDHG-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OCO2 ZINC001593474743 1349809482 /nfs/dbraw/zinc/80/94/82/1349809482.db2.gz ISEQWMDBIVVBOA-UHFFFAOYSA-N -1 3 340.299 2.116 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OCO2 ZINC001593474743 1349809488 /nfs/dbraw/zinc/80/94/88/1349809488.db2.gz ISEQWMDBIVVBOA-UHFFFAOYSA-N -1 3 340.299 2.116 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001593481803 1349813472 /nfs/dbraw/zinc/81/34/72/1349813472.db2.gz JRDYAJFTBDVMRZ-UHFFFAOYSA-N -1 3 328.244 2.475 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001593481803 1349813475 /nfs/dbraw/zinc/81/34/75/1349813475.db2.gz JRDYAJFTBDVMRZ-UHFFFAOYSA-N -1 3 328.244 2.475 20 5 EEBDHM O=[N+]([O-])c1ccccc1N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593484696 1349814328 /nfs/dbraw/zinc/81/43/28/1349814328.db2.gz DKDPIRVXJGCROV-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM CCc1onc(C)c1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604593473 1350966900 /nfs/dbraw/zinc/96/69/00/1350966900.db2.gz VGWBWMPZVFVIRU-UHFFFAOYSA-N -1 3 347.310 2.385 20 5 EEBDHM CCc1onc(C)c1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604593473 1350966902 /nfs/dbraw/zinc/96/69/02/1350966902.db2.gz VGWBWMPZVFVIRU-UHFFFAOYSA-N -1 3 347.310 2.385 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCCC[C@H]1C(F)F ZINC001607077891 1351407385 /nfs/dbraw/zinc/40/73/85/1351407385.db2.gz UUOXOTLFLJZDNK-NSHDSACASA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1C(F)F ZINC001607077891 1351407389 /nfs/dbraw/zinc/40/73/89/1351407389.db2.gz UUOXOTLFLJZDNK-NSHDSACASA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccc2[nH]ccc21 ZINC001607080436 1351409319 /nfs/dbraw/zinc/40/93/19/1351409319.db2.gz KEHHMHHWMMQHCA-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccc2[nH]ccc21 ZINC001607080436 1351409322 /nfs/dbraw/zinc/40/93/22/1351409322.db2.gz KEHHMHHWMMQHCA-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCc2ccc(F)cc21 ZINC001607080879 1351409564 /nfs/dbraw/zinc/40/95/64/1351409564.db2.gz SPWPYNWBYHNAOW-LBPRGKRZSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCc2ccc(F)cc21 ZINC001607080879 1351409567 /nfs/dbraw/zinc/40/95/67/1351409567.db2.gz SPWPYNWBYHNAOW-LBPRGKRZSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC001607081518 1351410411 /nfs/dbraw/zinc/41/04/11/1351410411.db2.gz CFEJRBKGCFETAN-UHFFFAOYSA-N -1 3 340.299 2.290 20 5 EEBDHM O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC001607081518 1351410412 /nfs/dbraw/zinc/41/04/12/1351410412.db2.gz CFEJRBKGCFETAN-UHFFFAOYSA-N -1 3 340.299 2.290 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(F)c1 ZINC001607083093 1351410867 /nfs/dbraw/zinc/41/08/67/1351410867.db2.gz WTBBDKXACFXDAS-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(F)c1 ZINC001607083093 1351410869 /nfs/dbraw/zinc/41/08/69/1351410869.db2.gz 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3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499132 607681692 /nfs/dbraw/zinc/68/16/92/607681692.db2.gz WWFKRZNNCURPPH-NWDGAFQWSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826497760 607681722 /nfs/dbraw/zinc/68/17/22/607681722.db2.gz TUSADVZACALRIE-STQMWFEESA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826497760 607681724 /nfs/dbraw/zinc/68/17/24/607681724.db2.gz TUSADVZACALRIE-STQMWFEESA-N -1 3 344.375 2.028 20 5 EEBDHM COc1cc(C)cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826178379 607731855 /nfs/dbraw/zinc/73/18/55/607731855.db2.gz VUMIONLGOLUXCS-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1cc(C)cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826178379 607731857 /nfs/dbraw/zinc/73/18/57/607731857.db2.gz VUMIONLGOLUXCS-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM CO[C@]1(C)C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678884 606061423 /nfs/dbraw/zinc/06/14/23/606061423.db2.gz UFNRMTQBJLZHSU-XJKSGUPXSA-N -1 3 346.391 2.415 20 5 EEBDHM CO[C@]1(C)C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678884 606061426 /nfs/dbraw/zinc/06/14/26/606061426.db2.gz UFNRMTQBJLZHSU-XJKSGUPXSA-N -1 3 346.391 2.415 20 5 EEBDHM CCCCCOC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821056140 606240134 /nfs/dbraw/zinc/24/01/34/606240134.db2.gz MACRITMTSYIZEO-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM CCCCCOC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821056140 606240135 /nfs/dbraw/zinc/24/01/35/606240135.db2.gz MACRITMTSYIZEO-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823337483 606484720 /nfs/dbraw/zinc/48/47/20/606484720.db2.gz MKMFUDBMEYQGDD-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823337483 606484721 /nfs/dbraw/zinc/48/47/21/606484721.db2.gz MKMFUDBMEYQGDD-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822271053 606655987 /nfs/dbraw/zinc/65/59/87/606655987.db2.gz KMXNRFQBGAYELJ-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822271053 606655988 /nfs/dbraw/zinc/65/59/88/606655988.db2.gz KMXNRFQBGAYELJ-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823557231 607008047 /nfs/dbraw/zinc/00/80/47/607008047.db2.gz HOCXXIFHBJFDJV-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823557231 607008049 /nfs/dbraw/zinc/00/80/49/607008049.db2.gz HOCXXIFHBJFDJV-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000823451001 607247382 /nfs/dbraw/zinc/24/73/82/607247382.db2.gz RTYSBDZZGOJWFN-UHFFFAOYSA-N -1 3 335.276 2.195 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000823451001 607247383 /nfs/dbraw/zinc/24/73/83/607247383.db2.gz RTYSBDZZGOJWFN-UHFFFAOYSA-N -1 3 335.276 2.195 20 5 EEBDHM CN(Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825966352 608016060 /nfs/dbraw/zinc/01/60/60/608016060.db2.gz ZSCARQMJSAEWNZ-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM CN(Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825966352 608016061 /nfs/dbraw/zinc/01/60/61/608016061.db2.gz ZSCARQMJSAEWNZ-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM CC(C)(C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824078656 608149258 /nfs/dbraw/zinc/14/92/58/608149258.db2.gz JMGFLWLQSLOCMQ-SKDRFNHKSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)(C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824078656 608149259 /nfs/dbraw/zinc/14/92/59/608149259.db2.gz JMGFLWLQSLOCMQ-SKDRFNHKSA-N -1 3 347.379 2.176 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000826450484 608163944 /nfs/dbraw/zinc/16/39/44/608163944.db2.gz OJBJNSCNBAMWNZ-BDAKNGLRSA-N -1 3 348.750 2.413 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000826450484 608163945 /nfs/dbraw/zinc/16/39/45/608163945.db2.gz OJBJNSCNBAMWNZ-BDAKNGLRSA-N -1 3 348.750 2.413 20 5 EEBDHM Cc1ccnc(N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826309220 609531033 /nfs/dbraw/zinc/53/10/33/609531033.db2.gz HXRIWVBFVXNKIQ-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1ccnc(N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826309220 609531036 /nfs/dbraw/zinc/53/10/36/609531036.db2.gz HXRIWVBFVXNKIQ-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM CS[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C ZINC000826225489 609590745 /nfs/dbraw/zinc/59/07/45/609590745.db2.gz DBUVGMQERAJZET-JTQLQIEISA-N -1 3 337.409 2.360 20 5 EEBDHM CS[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C ZINC000826225489 609590746 /nfs/dbraw/zinc/59/07/46/609590746.db2.gz DBUVGMQERAJZET-JTQLQIEISA-N -1 3 337.409 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1352245984 /nfs/dbraw/zinc/24/59/84/1352245984.db2.gz PMUVASBRMPZFPS-UHFFFAOYSA-N -1 3 332.360 2.320 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001589104979 1348960968 /nfs/dbraw/zinc/96/09/68/1348960968.db2.gz LPLIHTDWPXRFIK-RISCZKNCSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001589104979 1348960971 /nfs/dbraw/zinc/96/09/71/1348960971.db2.gz LPLIHTDWPXRFIK-RISCZKNCSA-N -1 3 346.391 2.008 20 5 EEBDHM C[C@@H](OC(=O)c1cnccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001590013750 1349108703 /nfs/dbraw/zinc/10/87/03/1349108703.db2.gz HIOWCHYEPMOSBA-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM C[C@@H](OC(=O)c1cnccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001590013750 1349108704 /nfs/dbraw/zinc/10/87/04/1349108704.db2.gz HIOWCHYEPMOSBA-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)CO1 ZINC001590104908 1349158254 /nfs/dbraw/zinc/15/82/54/1349158254.db2.gz YMJIRCAEPMNVJX-UHFFFAOYSA-N -1 3 346.391 2.164 20 5 EEBDHM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)CO1 ZINC001590104908 1349158258 /nfs/dbraw/zinc/15/82/58/1349158258.db2.gz YMJIRCAEPMNVJX-UHFFFAOYSA-N -1 3 346.391 2.164 20 5 EEBDHM CCC(C)(C)OCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590379246 1349293150 /nfs/dbraw/zinc/29/31/50/1349293150.db2.gz TUAONUPHAIQVPV-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM CCC(C)(C)OCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590379246 1349293156 /nfs/dbraw/zinc/29/31/56/1349293156.db2.gz TUAONUPHAIQVPV-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM COCCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1 ZINC001591400971 1349482038 /nfs/dbraw/zinc/48/20/38/1349482038.db2.gz JNXHISFWAPLBRH-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COCCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1 ZINC001591400971 1349482039 /nfs/dbraw/zinc/48/20/39/1349482039.db2.gz JNXHISFWAPLBRH-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM Cn1ccc2ccc(Nc3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc21 ZINC001592581603 1349662121 /nfs/dbraw/zinc/66/21/21/1349662121.db2.gz IPDJDPNNQSOHBI-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM Cn1ccc2ccc(Nc3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc21 ZINC001592581603 1349662124 /nfs/dbraw/zinc/66/21/24/1349662124.db2.gz IPDJDPNNQSOHBI-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)ccc1F ZINC001593309209 1349778121 /nfs/dbraw/zinc/77/81/21/1349778121.db2.gz SKEQCIFHRDXDPS-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)ccc1F ZINC001593309209 1349778125 /nfs/dbraw/zinc/77/81/25/1349778125.db2.gz SKEQCIFHRDXDPS-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC1SCCS1 ZINC001593469299 1349805041 /nfs/dbraw/zinc/80/50/41/1349805041.db2.gz XRESGTUISCWICD-UHFFFAOYSA-N -1 3 342.381 2.132 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC1SCCS1 ZINC001593469299 1349805043 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EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000823111184 787549305 /nfs/dbraw/zinc/54/93/05/787549305.db2.gz FFFSJQZOZFAITA-UHFFFAOYSA-N -1 3 339.311 2.061 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000823111184 787549308 /nfs/dbraw/zinc/54/93/08/787549308.db2.gz FFFSJQZOZFAITA-UHFFFAOYSA-N -1 3 339.311 2.061 20 5 EEBDHM C/C=C(\C)C(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089925529 791835240 /nfs/dbraw/zinc/83/52/40/791835240.db2.gz GFZYNHWUPIGAOJ-QDEBKDIKSA-N -1 3 334.376 2.360 20 5 EEBDHM CCCC(C)(C)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093195685 794815861 /nfs/dbraw/zinc/81/58/61/794815861.db2.gz QNRUFYOKSHGLFS-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM CC(C)c1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC001094117956 795938981 /nfs/dbraw/zinc/93/89/81/795938981.db2.gz CTUZZZRFXWGTKC-UHFFFAOYSA-N -1 3 345.359 2.056 20 5 EEBDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000270650386 256156948 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CC(C)(F)C(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067232441 1224964340 /nfs/dbraw/zinc/96/43/40/1224964340.db2.gz NDPQZUXNNYPEIY-UHFFFAOYSA-N -1 3 340.355 2.237 20 5 EEBDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000042674755 1208311161 /nfs/dbraw/zinc/31/11/61/1208311161.db2.gz JSJUZYYEZQZJJW-UHFFFAOYSA-N -1 3 325.321 2.425 20 5 EEBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)C2CC=CC2)CC1 ZINC001067249881 1229672765 /nfs/dbraw/zinc/67/27/65/1229672765.db2.gz XSYFLWHBBIWUNQ-UHFFFAOYSA-N -1 3 346.387 2.455 20 5 EEBDHM CCN(CCCNC(=O)C(C)(C)CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095953478 1232545011 /nfs/dbraw/zinc/54/50/11/1232545011.db2.gz DVDSSBFDIUCPQU-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM Nc1ncc(Br)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801159 1285834972 /nfs/dbraw/zinc/83/49/72/1285834972.db2.gz AFRYSZHPYZPKSZ-UHFFFAOYSA-N -1 3 326.110 2.179 20 5 EEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000855133690 1293082822 /nfs/dbraw/zinc/08/28/22/1293082822.db2.gz NQPDLULLQWGPIW-UHFFFAOYSA-N -1 3 330.724 2.251 20 5 EEBDHM Cc1cc(NCCN(C)C(=O)c2ccccc2[O-])ncc1[N+](=O)[O-] ZINC001101520339 1299676814 /nfs/dbraw/zinc/67/68/14/1299676814.db2.gz VZLGQVRMBWTKPK-UHFFFAOYSA-N -1 3 330.344 2.188 20 5 EEBDHM CC(C)N(CCCNC(=O)C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102070965 1300240036 /nfs/dbraw/zinc/24/00/36/1300240036.db2.gz XWJOOQIGSIPUOP-UHFFFAOYSA-N -1 3 336.392 2.217 20 5 EEBDHM Cc1nnc(=O)[n-]c1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001226464632 1301426349 /nfs/dbraw/zinc/42/63/49/1301426349.db2.gz ROZXGSRCCWOOBG-VIFPVBQESA-N -1 3 330.222 2.476 20 5 EEBDHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692688 1301931067 /nfs/dbraw/zinc/93/10/67/1301931067.db2.gz ANVRMDMVIDEBHF-MRVPVSSYSA-N -1 3 344.274 2.222 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609110093 1351847256 /nfs/dbraw/zinc/84/72/56/1351847256.db2.gz JTBYDVZASWLZCJ-NOZJJQNGSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609110093 1351847267 /nfs/dbraw/zinc/84/72/67/1351847267.db2.gz JTBYDVZASWLZCJ-NOZJJQNGSA-N -1 3 344.331 2.292 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)ccc1-c1nnn[n-]1 ZINC001609601298 1352031028 /nfs/dbraw/zinc/03/10/28/1352031028.db2.gz WBIDWYAPSIJDJQ-RISCZKNCSA-N -1 3 330.348 2.144 20 5 EEBDHM CCN(CCNC(=O)C(C1CC1)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100613656 1338548088 /nfs/dbraw/zinc/54/80/88/1338548088.db2.gz LESQOAUDJZTJHY-UHFFFAOYSA-N -1 3 348.403 2.074 20 5 EEBDHM C=COc1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588717201 1348930045 /nfs/dbraw/zinc/93/00/45/1348930045.db2.gz TYFOPGCLGIZYLG-UHFFFAOYSA-N -1 3 325.288 2.436 20 5 EEBDHM C=COc1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588717201 1348930049 /nfs/dbraw/zinc/93/00/49/1348930049.db2.gz TYFOPGCLGIZYLG-UHFFFAOYSA-N -1 3 325.288 2.436 20 5 EEBDHM CC[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590473064 1349345697 /nfs/dbraw/zinc/34/56/97/1349345697.db2.gz XYFFCKSUJUUIBI-JQWIXIFHSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590473064 1349345702 /nfs/dbraw/zinc/34/57/02/1349345702.db2.gz XYFFCKSUJUUIBI-JQWIXIFHSA-N -1 3 332.364 2.392 20 5 EEBDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccsc1[N+](=O)[O-] ZINC001591053151 1349435650 /nfs/dbraw/zinc/43/56/50/1349435650.db2.gz MLWVXJCDIOLJBI-GFCCVEGCSA-N -1 3 346.372 2.006 20 5 EEBDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccsc1[N+](=O)[O-] ZINC001591053151 1349435659 /nfs/dbraw/zinc/43/56/59/1349435659.db2.gz MLWVXJCDIOLJBI-GFCCVEGCSA-N -1 3 346.372 2.006 20 5 EEBDHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001591620560 1349516014 /nfs/dbraw/zinc/51/60/14/1349516014.db2.gz CVQHPAOKCQXTKJ-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001591620560 1349516019 /nfs/dbraw/zinc/51/60/19/1349516019.db2.gz CVQHPAOKCQXTKJ-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(OCc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591621306 1349516581 /nfs/dbraw/zinc/51/65/81/1349516581.db2.gz MQQUWALJAPEYLV-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(OCc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591621306 1349516592 /nfs/dbraw/zinc/51/65/92/1349516592.db2.gz MQQUWALJAPEYLV-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC001593300251 1349772974 /nfs/dbraw/zinc/77/29/74/1349772974.db2.gz VOLMIJOLOHSNMQ-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H](O)c2ccccc21 ZINC001593469860 1349806156 /nfs/dbraw/zinc/80/61/56/1349806156.db2.gz BAEKEHFKSHWNOS-UKRRQHHQSA-N -1 3 338.327 2.365 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@@H](O)c2ccccc21 ZINC001593469860 1349806160 /nfs/dbraw/zinc/80/61/60/1349806160.db2.gz BAEKEHFKSHWNOS-UKRRQHHQSA-N -1 3 338.327 2.365 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(N3CCc4ccc(-c5nnn[n-]5)cc43)nc2c1 ZINC001593479671 1349811962 /nfs/dbraw/zinc/81/19/62/1349811962.db2.gz QBFHRZZSSFQQJO-UHFFFAOYSA-N -1 3 348.326 2.345 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(N3CCc4ccc(-c5nn[n-]n5)cc43)nc2c1 ZINC001593479671 1349811967 /nfs/dbraw/zinc/81/19/67/1349811967.db2.gz QBFHRZZSSFQQJO-UHFFFAOYSA-N -1 3 348.326 2.345 20 5 EEBDHM O=[N+]([O-])c1cnn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC001593486925 1349815118 /nfs/dbraw/zinc/81/51/18/1349815118.db2.gz DANIGSCQJDOWNH-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cnn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC001593486925 1349815120 /nfs/dbraw/zinc/81/51/20/1349815120.db2.gz DANIGSCQJDOWNH-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM CC(C)(CCC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)[N+](=O)[O-] ZINC001603159983 1350652668 /nfs/dbraw/zinc/65/26/68/1350652668.db2.gz CLIJEWIVWBLUSF-UHFFFAOYSA-N -1 3 346.391 2.054 20 5 EEBDHM CC(C)(CCC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)[N+](=O)[O-] ZINC001603159983 1350652675 /nfs/dbraw/zinc/65/26/75/1350652675.db2.gz CLIJEWIVWBLUSF-UHFFFAOYSA-N -1 3 346.391 2.054 20 5 EEBDHM CC(C)N(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC001603883520 1350791681 /nfs/dbraw/zinc/79/16/81/1350791681.db2.gz JCHBISXVZZGYOC-ZDUSSCGKSA-N -1 3 338.360 2.058 20 5 EEBDHM CCc1csc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001604538568 1350957962 /nfs/dbraw/zinc/95/79/62/1350957962.db2.gz JUDGFTCTTXXVRT-SSDOTTSWSA-N -1 3 346.376 2.362 20 5 EEBDHM CCc1csc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001604538568 1350957966 /nfs/dbraw/zinc/95/79/66/1350957966.db2.gz JUDGFTCTTXXVRT-SSDOTTSWSA-N -1 3 346.376 2.362 20 5 EEBDHM Cc1cc(N2CCC(O)(C(C)C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605693521 1351215799 /nfs/dbraw/zinc/21/57/99/1351215799.db2.gz SPOSGYVRZSGXHQ-UHFFFAOYSA-N -1 3 346.391 2.071 20 5 EEBDHM Cc1cc(N2CCC(O)(C(C)C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605693521 1351215802 /nfs/dbraw/zinc/21/58/02/1351215802.db2.gz SPOSGYVRZSGXHQ-UHFFFAOYSA-N -1 3 346.391 2.071 20 5 EEBDHM Cc1ncc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001606092829 1351269076 /nfs/dbraw/zinc/26/90/76/1351269076.db2.gz JTLZNQNWWRQAQE-UHFFFAOYSA-N -1 3 326.316 2.366 20 5 EEBDHM Cc1ncc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001606092829 1351269080 /nfs/dbraw/zinc/26/90/80/1351269080.db2.gz JTLZNQNWWRQAQE-UHFFFAOYSA-N -1 3 326.316 2.366 20 5 EEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001606982463 1351391876 /nfs/dbraw/zinc/39/18/76/1351391876.db2.gz ONELKGNAMASRSO-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001606982463 1351391879 /nfs/dbraw/zinc/39/18/79/1351391879.db2.gz ONELKGNAMASRSO-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@H]1C[C@]12CCOC2 ZINC001607079651 1351408217 /nfs/dbraw/zinc/40/82/17/1351408217.db2.gz NVQKVLGIDXOIGE-DOMZBBRYSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@H]1C[C@]12CCOC2 ZINC001607079651 1351408219 /nfs/dbraw/zinc/40/82/19/1351408219.db2.gz NVQKVLGIDXOIGE-DOMZBBRYSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](C2CCC2)[C@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001607079625 1351408430 /nfs/dbraw/zinc/40/84/30/1351408430.db2.gz KGMQEWISEYTEPU-NHYWBVRUSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccccc1F ZINC001607080991 1351409173 /nfs/dbraw/zinc/40/91/73/1351409173.db2.gz WTHJWUDOHGNEAI-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccccc1F ZINC001607080991 1351409175 /nfs/dbraw/zinc/40/91/75/1351409175.db2.gz WTHJWUDOHGNEAI-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001607086362 1351412655 /nfs/dbraw/zinc/41/26/55/1351412655.db2.gz VLWPDNSZSHKUAY-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001607086362 1351412657 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344.371 2.294 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000823112082 787549804 /nfs/dbraw/zinc/54/98/04/787549804.db2.gz SEOHRSTTZMAJFD-UHFFFAOYSA-N -1 3 339.311 2.061 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000823112082 787549811 /nfs/dbraw/zinc/54/98/11/787549811.db2.gz SEOHRSTTZMAJFD-UHFFFAOYSA-N -1 3 339.311 2.061 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823651965 787853133 /nfs/dbraw/zinc/85/31/33/787853133.db2.gz UCCJCVSGTQIADJ-UHFFFAOYSA-N -1 3 341.331 2.051 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCOc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823651965 787853145 /nfs/dbraw/zinc/85/31/45/787853145.db2.gz UCCJCVSGTQIADJ-UHFFFAOYSA-N -1 3 341.331 2.051 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000032588738 796403327 /nfs/dbraw/zinc/40/33/27/796403327.db2.gz VYDJJRMBSIJNHT-UHFFFAOYSA-N -1 3 337.357 2.295 20 5 EEBDHM CC(C)(C)/C=C/C(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095176331 797468816 /nfs/dbraw/zinc/46/88/16/797468816.db2.gz ZVPRTHHGSCBMIA-FNORWQNLSA-N -1 3 348.403 2.336 20 5 EEBDHM COc1ccc([N-]S(=O)(=O)c2ccc(N)c(C)c2)cc1[N+](=O)[O-] ZINC001176363249 798441474 /nfs/dbraw/zinc/44/14/74/798441474.db2.gz LMSZAFBSFBCCCZ-UHFFFAOYSA-N -1 3 337.357 2.295 20 5 EEBDHM O=C(CCCc1ccc([O-])c(F)c1)OCCn1cc([N+](=O)[O-])cn1 ZINC000787842734 807267463 /nfs/dbraw/zinc/26/74/63/807267463.db2.gz ANUGTVUAUSNYPD-UHFFFAOYSA-N -1 3 337.307 2.202 20 5 EEBDHM Cc1noc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001605449585 973531904 /nfs/dbraw/zinc/53/19/04/973531904.db2.gz IJSWZUQRBLXWCE-QWHCGFSZSA-N -1 3 331.328 2.191 20 5 EEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124385475 143720012 /nfs/dbraw/zinc/72/00/12/143720012.db2.gz OJRPWRDWBYPSET-QPUJVOFHSA-N -1 3 336.435 2.040 20 5 EEBDHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354112197 153114621 /nfs/dbraw/zinc/11/46/21/153114621.db2.gz ITFZEGCEKOODOY-UHFFFAOYSA-N -1 3 335.385 2.139 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342509521 161070617 /nfs/dbraw/zinc/07/06/17/161070617.db2.gz MBJZEUMKJNXMCP-ONGXEEELSA-N -1 3 348.446 2.448 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000342526264 161071678 /nfs/dbraw/zinc/07/16/78/161071678.db2.gz LIVUFFYAJWQVLB-UMNHJUIQSA-N -1 3 346.430 2.201 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c2ncccc12 ZINC000344908420 161255233 /nfs/dbraw/zinc/25/52/33/161255233.db2.gz MDULIRYKBRSUAY-UWVGGRQHSA-N -1 3 339.348 2.312 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000344944668 161258101 /nfs/dbraw/zinc/25/81/01/161258101.db2.gz CSPDDBIXWOAOER-VIFPVBQESA-N -1 3 336.460 2.386 20 5 EEBDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc1 ZINC000355730543 163283258 /nfs/dbraw/zinc/28/32/58/163283258.db2.gz ROEJGHJAJZOTBF-UHFFFAOYSA-N -1 3 349.328 2.011 20 5 EEBDHM 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313259524 /nfs/dbraw/zinc/25/95/24/313259524.db2.gz RVWHDIRIVIWJEI-UBHAPETDSA-N -1 3 344.364 2.209 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000416658141 313288182 /nfs/dbraw/zinc/28/81/82/313288182.db2.gz ZFLFCUTZGKPFAC-AWEZNQCLSA-N -1 3 348.380 2.453 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000416670325 313291501 /nfs/dbraw/zinc/29/15/01/313291501.db2.gz YSOSTPUVENNSGD-RKDXNWHRSA-N -1 3 328.371 2.392 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000425191189 314352833 /nfs/dbraw/zinc/35/28/33/314352833.db2.gz GJVZRWLNNVKUTP-AAEUAGOBSA-N -1 3 340.401 2.318 20 5 EEBDHM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436957172 315015942 /nfs/dbraw/zinc/01/59/42/315015942.db2.gz SHZGMLJBWNXCNS-OAHLLOKOSA-N -1 3 343.383 2.203 20 5 EEBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000443317353 315240829 /nfs/dbraw/zinc/24/08/29/315240829.db2.gz 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EEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cscc2C)c([N+](=O)[O-])c1 ZINC000487367937 468034544 /nfs/dbraw/zinc/03/45/44/468034544.db2.gz NIVIAAIHBNYYJO-UHFFFAOYSA-N -1 3 342.398 2.452 20 5 EEBDHM Cc1cnc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000594476884 468600138 /nfs/dbraw/zinc/60/01/38/468600138.db2.gz YCNJRFUDDWJHDW-UHFFFAOYSA-N -1 3 349.412 2.436 20 5 EEBDHM COc1cc(CN[C@@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000570689255 468678625 /nfs/dbraw/zinc/67/86/25/468678625.db2.gz KBZIDOBAZIRKFO-YUMQZZPRSA-N -1 3 348.302 2.404 20 5 EEBDHM O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592762850 468779160 /nfs/dbraw/zinc/77/91/60/468779160.db2.gz OLPYNPRYURCKMI-NSHDSACASA-N -1 3 339.779 2.168 20 5 EEBDHM O=C([O-])CCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000593753768 469124928 /nfs/dbraw/zinc/12/49/28/469124928.db2.gz XPRVSFVHSTTYOV-UHFFFAOYSA-N -1 3 332.360 2.158 20 5 EEBDHM O=C(NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1ccccc1 ZINC000596064755 469135560 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Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000132354447 534817215 /nfs/dbraw/zinc/81/72/15/534817215.db2.gz AHUCGVCOLYKNJI-UHFFFAOYSA-N -1 3 345.377 2.286 20 5 EEBDHM O=[N+]([O-])c1ccc(N(Cc2cccnc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000738371851 578011342 /nfs/dbraw/zinc/01/13/42/578011342.db2.gz XYLNHZPPQVKLGV-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1ccc(N(Cc2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000738371851 578011343 /nfs/dbraw/zinc/01/13/43/578011343.db2.gz XYLNHZPPQVKLGV-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM COC[C@H](OC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000774678982 577410572 /nfs/dbraw/zinc/41/05/72/577410572.db2.gz IFQNESAMRMZEHY-NSHDSACASA-N -1 3 348.340 2.472 20 5 EEBDHM COC[C@H](OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000774678982 577410573 /nfs/dbraw/zinc/41/05/73/577410573.db2.gz IFQNESAMRMZEHY-NSHDSACASA-N -1 3 348.340 2.472 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000742330987 577871256 /nfs/dbraw/zinc/87/12/56/577871256.db2.gz WYTUPRATQMCDRV-MWLCHTKSSA-N -1 3 346.430 2.166 20 5 EEBDHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748527120 577963484 /nfs/dbraw/zinc/96/34/84/577963484.db2.gz XSMNKZXCNXLLCQ-UHFFFAOYSA-N -1 3 329.721 2.150 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737116837 578238804 /nfs/dbraw/zinc/23/88/04/578238804.db2.gz RUYSJSLFXWBRHJ-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737116837 578238805 /nfs/dbraw/zinc/23/88/05/578238805.db2.gz RUYSJSLFXWBRHJ-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737315683 578249970 /nfs/dbraw/zinc/24/99/70/578249970.db2.gz PNLATLRKILWLBI-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737315683 578249971 /nfs/dbraw/zinc/24/99/71/578249971.db2.gz PNLATLRKILWLBI-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@@H](O)c1ccccc1 ZINC000823629868 599086518 /nfs/dbraw/zinc/08/65/18/599086518.db2.gz KFYUDQLVCWZSPS-OAHLLOKOSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@@H](O)c1ccccc1 ZINC000823629868 599086521 /nfs/dbraw/zinc/08/65/21/599086521.db2.gz KFYUDQLVCWZSPS-OAHLLOKOSA-N -1 3 340.343 2.311 20 5 EEBDHM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(C)C ZINC000821640379 599586647 /nfs/dbraw/zinc/58/66/47/599586647.db2.gz HMULPKCIPYCCJI-LLVKDONJSA-N -1 3 348.363 2.022 20 5 EEBDHM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(C)C ZINC000821640379 599586649 /nfs/dbraw/zinc/58/66/49/599586649.db2.gz HMULPKCIPYCCJI-LLVKDONJSA-N -1 3 348.363 2.022 20 5 EEBDHM CCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOCC1 ZINC000820962676 599688966 /nfs/dbraw/zinc/68/89/66/599688966.db2.gz YDZGBIOUDROGCK-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM CCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOCC1 ZINC000820962676 599688967 /nfs/dbraw/zinc/68/89/67/599688967.db2.gz YDZGBIOUDROGCK-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc([N+](=O)[O-])cn1 ZINC000821752890 607466218 /nfs/dbraw/zinc/46/62/18/607466218.db2.gz UPWNVXLWQBSDAU-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508072 606358163 /nfs/dbraw/zinc/35/81/63/606358163.db2.gz LYAFTRKDPKYNQC-VIFPVBQESA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508072 606358165 /nfs/dbraw/zinc/35/81/65/606358165.db2.gz LYAFTRKDPKYNQC-VIFPVBQESA-N -1 3 342.315 2.031 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293645 607874209 /nfs/dbraw/zinc/87/42/09/607874209.db2.gz WWXPTVKJWRTOLD-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293645 607874210 /nfs/dbraw/zinc/87/42/10/607874210.db2.gz WWXPTVKJWRTOLD-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccccc1C1=CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826306590 608585710 /nfs/dbraw/zinc/58/57/10/608585710.db2.gz FEDPNGQTVWXGBN-UHFFFAOYSA-N -1 3 349.354 2.382 20 5 EEBDHM Cc1ccccc1C1=CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826306590 608585711 /nfs/dbraw/zinc/58/57/11/608585711.db2.gz FEDPNGQTVWXGBN-UHFFFAOYSA-N -1 3 349.354 2.382 20 5 EEBDHM CO[C@@H]1[C@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000826144710 608587814 /nfs/dbraw/zinc/58/78/14/608587814.db2.gz PYDWGPNZQWTLBQ-BZHVJNSISA-N -1 3 332.364 2.246 20 5 EEBDHM CO[C@@H]1[C@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000826144710 608587816 /nfs/dbraw/zinc/58/78/16/608587816.db2.gz PYDWGPNZQWTLBQ-BZHVJNSISA-N -1 3 332.364 2.246 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC2(CCC2)C1 ZINC001059368572 684507740 /nfs/dbraw/zinc/50/77/40/684507740.db2.gz WQPOVLISIGLLOR-HAQNSBGRSA-N -1 3 346.387 2.335 20 5 EEBDHM CCc1ccoc1C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059805848 689794651 /nfs/dbraw/zinc/79/46/51/689794651.db2.gz XQDRSTZGUBLUEQ-PHIMTYICSA-N -1 3 346.343 2.224 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001106995336 1192030483 /nfs/dbraw/zinc/03/04/83/1192030483.db2.gz AOAWAZMQXRYRJO-UHFFFAOYSA-N -1 3 344.371 2.199 20 5 EEBDHM O=C(C=Cc1ccco1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097144991 1243778230 /nfs/dbraw/zinc/77/82/30/1243778230.db2.gz QZQKSPQYYZEBDM-VMDCKITASA-N -1 3 344.327 2.061 20 5 EEBDHM C=C/C(C)=C\CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097239769 1243868318 /nfs/dbraw/zinc/86/83/18/1243868318.db2.gz CCJUBWKBXWVLSJ-FACJSSNHSA-N -1 3 332.360 2.277 20 5 EEBDHM CCCN(CCNC(=O)C1(C)CC=CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101229870 1245545161 /nfs/dbraw/zinc/54/51/61/1245545161.db2.gz HYNHTHSDIFHIAW-UHFFFAOYSA-N -1 3 348.403 2.384 20 5 EEBDHM CN(C(=O)C1(C)CCC1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 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MGVBYSDMEYCAOX-UHFFFAOYSA-N -1 3 342.315 2.041 20 5 EEBDHM COc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC001605302692 1351130494 /nfs/dbraw/zinc/13/04/94/1351130494.db2.gz GIGYQCZIYYNHSJ-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC001605302692 1351130498 /nfs/dbraw/zinc/13/04/98/1351130498.db2.gz GIGYQCZIYYNHSJ-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM Cc1cc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc([N+](=O)[O-])c1 ZINC001311322955 1331770801 /nfs/dbraw/zinc/77/08/01/1331770801.db2.gz OSKZVGLEFIKALC-UHFFFAOYSA-N -1 3 335.345 2.009 20 5 EEBDHM CC(C)(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609075052 1351831933 /nfs/dbraw/zinc/83/19/33/1351831933.db2.gz NEZHUQLDXUSZOR-ZDUSSCGKSA-N -1 3 332.364 2.026 20 5 EEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001609556134 1352015718 /nfs/dbraw/zinc/01/57/18/1352015718.db2.gz KIRCJONDUBGZND-UHFFFAOYSA-N -1 3 339.315 2.097 20 5 EEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001609556134 1352015721 /nfs/dbraw/zinc/01/57/21/1352015721.db2.gz KIRCJONDUBGZND-UHFFFAOYSA-N -1 3 339.315 2.097 20 5 EEBDHM Cc1cc(F)cc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001100340072 1338275715 /nfs/dbraw/zinc/27/57/15/1338275715.db2.gz NYQSKKVXCFLBHN-UHFFFAOYSA-N -1 3 348.334 2.009 20 5 EEBDHM CCN(CCNC(=O)c1ccccc1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100430391 1338367787 /nfs/dbraw/zinc/36/77/87/1338367787.db2.gz VEHUJVTYMFCKMX-UHFFFAOYSA-N -1 3 344.371 2.260 20 5 EEBDHM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001589500799 1348997041 /nfs/dbraw/zinc/99/70/41/1348997041.db2.gz QYOQZJKMSMYHJW-SMDDNHRTSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001589500799 1348997044 /nfs/dbraw/zinc/99/70/44/1348997044.db2.gz QYOQZJKMSMYHJW-SMDDNHRTSA-N -1 3 332.364 2.390 20 5 EEBDHM C[C@H](CC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589793775 1349044560 /nfs/dbraw/zinc/04/45/60/1349044560.db2.gz ASYSNINRPUJJKW-SECBINFHSA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@H](CC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589793775 1349044566 /nfs/dbraw/zinc/04/45/66/1349044566.db2.gz ASYSNINRPUJJKW-SECBINFHSA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cncc(F)c1 ZINC001589978350 1349088572 /nfs/dbraw/zinc/08/85/72/1349088572.db2.gz NZMYVRBQWCWMSY-QMMMGPOBSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cncc(F)c1 ZINC001589978350 1349088581 /nfs/dbraw/zinc/08/85/81/1349088581.db2.gz NZMYVRBQWCWMSY-QMMMGPOBSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1ccccc1 ZINC001589983556 1349092338 /nfs/dbraw/zinc/09/23/38/1349092338.db2.gz DSUKYXJCCFWCSR-MEBBXXQBSA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1ccccc1 ZINC001589983556 1349092342 /nfs/dbraw/zinc/09/23/42/1349092342.db2.gz DSUKYXJCCFWCSR-MEBBXXQBSA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133920 1349169892 /nfs/dbraw/zinc/16/98/92/1349169892.db2.gz JGMVDEBAOXJQJM-HOCLYGCPSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133920 1349169896 /nfs/dbraw/zinc/16/98/96/1349169896.db2.gz JGMVDEBAOXJQJM-HOCLYGCPSA-N -1 3 344.375 2.392 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590944913 1349422383 /nfs/dbraw/zinc/42/23/83/1349422383.db2.gz SKCFPGBMCRXAPP-VIFPVBQESA-N -1 3 342.363 2.473 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590944913 1349422394 /nfs/dbraw/zinc/42/23/94/1349422394.db2.gz SKCFPGBMCRXAPP-VIFPVBQESA-N -1 3 342.363 2.473 20 5 EEBDHM COCC1(C2CCC2)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591385906 1349477776 /nfs/dbraw/zinc/47/77/76/1349477776.db2.gz UUCIOHGTIATYAK-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM COCC1(C2CCC2)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591385906 1349477789 /nfs/dbraw/zinc/47/77/89/1349477789.db2.gz UUCIOHGTIATYAK-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1NCc1csc([N+](=O)[O-])c1 ZINC001591493962 1349492771 /nfs/dbraw/zinc/49/27/71/1349492771.db2.gz ATWJWQMWPYQPFB-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591731694 1349535848 /nfs/dbraw/zinc/53/58/48/1349535848.db2.gz ISNLCMJEKXIDSH-MRVPVSSYSA-N -1 3 327.304 2.049 20 5 EEBDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001591731694 1349535853 /nfs/dbraw/zinc/53/58/53/1349535853.db2.gz ISNLCMJEKXIDSH-MRVPVSSYSA-N -1 3 327.304 2.049 20 5 EEBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001591988304 1349578859 /nfs/dbraw/zinc/57/88/59/1349578859.db2.gz ZDQZXCXNQRFIRQ-UHFFFAOYSA-N -1 3 332.251 2.068 20 5 EEBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001591988304 1349578865 /nfs/dbraw/zinc/57/88/65/1349578865.db2.gz ZDQZXCXNQRFIRQ-UHFFFAOYSA-N -1 3 332.251 2.068 20 5 EEBDHM Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043456 1349586999 /nfs/dbraw/zinc/58/69/99/1349586999.db2.gz GPWYGMNPSHAVBZ-AXFHLTTASA-N -1 3 332.364 2.309 20 5 EEBDHM Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043456 1349587003 /nfs/dbraw/zinc/58/70/03/1349587003.db2.gz GPWYGMNPSHAVBZ-AXFHLTTASA-N -1 3 332.364 2.309 20 5 EEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC001593309713 1349777702 /nfs/dbraw/zinc/77/77/02/1349777702.db2.gz XKBPKSQGHZXPQL-UHFFFAOYSA-N -1 3 329.247 2.133 20 5 EEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC001593309713 1349777705 /nfs/dbraw/zinc/77/77/05/1349777705.db2.gz XKBPKSQGHZXPQL-UHFFFAOYSA-N -1 3 329.247 2.133 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H](c1cccnc1)C1CC1 ZINC001593471177 1349805654 /nfs/dbraw/zinc/80/56/54/1349805654.db2.gz OWKVFYRZPZOTOJ-ZDUSSCGKSA-N -1 3 338.331 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H](c1cccnc1)C1CC1 ZINC001593471177 1349805660 /nfs/dbraw/zinc/80/56/60/1349805660.db2.gz OWKVFYRZPZOTOJ-ZDUSSCGKSA-N -1 3 338.331 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC1CCC(C(F)F)CC1 ZINC001593472006 1349806880 /nfs/dbraw/zinc/80/68/80/1349806880.db2.gz XBFGIBMQRDTLGT-UHFFFAOYSA-N -1 3 339.306 2.406 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC1CCC(C(F)F)CC1 ZINC001593472006 1349806885 /nfs/dbraw/zinc/80/68/85/1349806885.db2.gz XBFGIBMQRDTLGT-UHFFFAOYSA-N -1 3 339.306 2.406 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccnc(Cl)c1 ZINC001593471323 1349806901 /nfs/dbraw/zinc/80/69/01/1349806901.db2.gz RQMXNFPEHUBFCM-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccnc(Cl)c1 ZINC001593471323 1349806902 /nfs/dbraw/zinc/80/69/02/1349806902.db2.gz RQMXNFPEHUBFCM-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@H](CO)CC2CCCC2)ccc1-c1nnn[n-]1 ZINC001593474059 1349807610 /nfs/dbraw/zinc/80/76/10/1349807610.db2.gz OQFYXSJCSBKPFL-GFCCVEGCSA-N -1 3 346.391 2.376 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2cn3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC001593478882 1349811386 /nfs/dbraw/zinc/81/13/86/1349811386.db2.gz OIINSPVIGSYQOL-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2cn3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC001593478882 1349811391 /nfs/dbraw/zinc/81/13/91/1349811391.db2.gz OIINSPVIGSYQOL-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCNc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC001593479455 1349811543 /nfs/dbraw/zinc/81/15/43/1349811543.db2.gz ZBBKMVXJBQJBJE-UHFFFAOYSA-N -1 3 337.343 2.207 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCNc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC001593479455 1349811549 /nfs/dbraw/zinc/81/15/49/1349811549.db2.gz ZBBKMVXJBQJBJE-UHFFFAOYSA-N -1 3 337.343 2.207 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593479283 1349812080 /nfs/dbraw/zinc/81/20/80/1349812080.db2.gz WKTGOGMYHJECIJ-ABAIWWIYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593479283 1349812082 /nfs/dbraw/zinc/81/20/82/1349812082.db2.gz WKTGOGMYHJECIJ-ABAIWWIYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cccc(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC001593484018 1349813734 /nfs/dbraw/zinc/81/37/34/1349813734.db2.gz OOFPCWZWXFXPAA-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=[N+]([O-])c1cccc(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC001593484018 1349813739 /nfs/dbraw/zinc/81/37/39/1349813739.db2.gz OOFPCWZWXFXPAA-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001602984668 1350618575 /nfs/dbraw/zinc/61/85/75/1350618575.db2.gz OVCQOHWPWHAKEM-CKDIWJPDSA-N -1 3 334.372 2.156 20 5 EEBDHM CC(C)[C@H](CO)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001603223747 1350664837 /nfs/dbraw/zinc/66/48/37/1350664837.db2.gz OXJDEPMIWIZDHS-WFASDCNBSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@H](CO)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001603223747 1350664843 /nfs/dbraw/zinc/66/48/43/1350664843.db2.gz OXJDEPMIWIZDHS-WFASDCNBSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)c1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])on1 ZINC001603392300 1350699442 /nfs/dbraw/zinc/69/94/42/1350699442.db2.gz FGGLWJLKXDXDEU-UHFFFAOYSA-N -1 3 329.320 2.498 20 5 EEBDHM CC(C)c1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])on1 ZINC001603392300 1350699446 /nfs/dbraw/zinc/69/94/46/1350699446.db2.gz FGGLWJLKXDXDEU-UHFFFAOYSA-N -1 3 329.320 2.498 20 5 EEBDHM C[C@@H](O)c1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001603698296 1350744729 /nfs/dbraw/zinc/74/47/29/1350744729.db2.gz YCRTXJHVSLTNPU-SNVBAGLBSA-N -1 3 340.343 2.440 20 5 EEBDHM C[C@@H](O)c1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001603698296 1350744734 /nfs/dbraw/zinc/74/47/34/1350744734.db2.gz YCRTXJHVSLTNPU-SNVBAGLBSA-N -1 3 340.343 2.440 20 5 EEBDHM C[C@@]1(C(=O)[O-])CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001604500140 1350950333 /nfs/dbraw/zinc/95/03/33/1350950333.db2.gz IWBFFRAZPIDSFQ-MRXNPFEDSA-N -1 3 330.344 2.212 20 5 EEBDHM Cc1cc(OC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001605747560 1351220935 /nfs/dbraw/zinc/22/09/35/1351220935.db2.gz NJQLVCVYZAVZGR-OAHLLOKOSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(NCC2(C3(O)CCC3)CCC2)ccc1-c1nnn[n-]1 ZINC001607079014 1351408580 /nfs/dbraw/zinc/40/85/80/1351408580.db2.gz DGRGMTUQGAWFLD-UHFFFAOYSA-N -1 3 344.375 2.272 20 5 EEBDHM O=[N+]([O-])c1ccc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)cc1F ZINC001607082166 1351410100 /nfs/dbraw/zinc/41/01/00/1351410100.db2.gz QDQVCTJPIZXHNE-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM O=[N+]([O-])c1ccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)cc1F ZINC001607082166 1351410103 /nfs/dbraw/zinc/41/01/03/1351410103.db2.gz QDQVCTJPIZXHNE-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2ccncc2)C1 ZINC001607083263 1351410762 /nfs/dbraw/zinc/41/07/62/1351410762.db2.gz CTHWNWDLLKAEPQ-GFCCVEGCSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2ccncc2)C1 ZINC001607083263 1351410763 /nfs/dbraw/zinc/41/07/63/1351410763.db2.gz CTHWNWDLLKAEPQ-GFCCVEGCSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCC3CSC3)cc(-c3nnn[n-]3)c2c1 ZINC001607084119 1351410804 /nfs/dbraw/zinc/41/08/04/1351410804.db2.gz YWNLYKYRAJFINM-UHFFFAOYSA-N -1 3 343.372 2.098 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCC3CSC3)cc(-c3nn[n-]n3)c2c1 ZINC001607084119 1351410806 /nfs/dbraw/zinc/41/08/06/1351410806.db2.gz YWNLYKYRAJFINM-UHFFFAOYSA-N -1 3 343.372 2.098 20 5 EEBDHM COc1cc(OCc2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001591553170 1403929871 /nfs/dbraw/zinc/92/98/71/1403929871.db2.gz YEZFRGCVLGWGAX-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc(OCc2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001591553170 1403929878 /nfs/dbraw/zinc/92/98/78/1403929878.db2.gz YEZFRGCVLGWGAX-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591639872 1403932432 /nfs/dbraw/zinc/93/24/32/1403932432.db2.gz WLERDUPXPZVFMF-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591639872 1403932438 /nfs/dbraw/zinc/93/24/38/1403932438.db2.gz WLERDUPXPZVFMF-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM Cc1noc(C)c1N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592459592 1404695153 /nfs/dbraw/zinc/69/51/53/1404695153.db2.gz KPOCWVQHTKVIBV-UHFFFAOYSA-N -1 3 329.320 2.016 20 5 EEBDHM Cc1noc(C)c1N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592459592 1404695160 /nfs/dbraw/zinc/69/51/60/1404695160.db2.gz KPOCWVQHTKVIBV-UHFFFAOYSA-N -1 3 329.320 2.016 20 5 EEBDHM Cc1cocc1C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112153839 781510724 /nfs/dbraw/zinc/51/07/24/781510724.db2.gz APZFCUPTGABCLK-UHFFFAOYSA-N -1 3 348.359 2.195 20 5 EEBDHM COC(=O)c1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c[n-]1 ZINC000816040132 783608189 /nfs/dbraw/zinc/60/81/89/783608189.db2.gz RZFVAXGRBFFGRR-UHFFFAOYSA-N -1 3 333.300 2.078 20 5 EEBDHM Cc1ccccc1CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094146256 795960514 /nfs/dbraw/zinc/96/05/14/795960514.db2.gz QULQQTNOBZLWLN-UHFFFAOYSA-N -1 3 344.371 2.165 20 5 EEBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000193982549 796600625 /nfs/dbraw/zinc/60/06/25/796600625.db2.gz LWVFBJWPOQWQSI-UHFFFAOYSA-N -1 3 338.316 2.470 20 5 EEBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CC1 ZINC001113391056 808877215 /nfs/dbraw/zinc/87/72/15/808877215.db2.gz IHTVYVKMAFBRPV-UHFFFAOYSA-N -1 3 336.392 2.392 20 5 EEBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000825941399 947377867 /nfs/dbraw/zinc/37/78/67/947377867.db2.gz HNBKTKVKSGFZCR-UHFFFAOYSA-N -1 3 339.359 2.323 20 5 EEBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000825941399 947377880 /nfs/dbraw/zinc/37/78/80/947377880.db2.gz HNBKTKVKSGFZCR-UHFFFAOYSA-N -1 3 339.359 2.323 20 5 EEBDHM Cc1ccc([C@@H](C)OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826283848 947815587 /nfs/dbraw/zinc/81/55/87/947815587.db2.gz CLRWKDBFYCPLAU-SECBINFHSA-N -1 3 342.315 2.329 20 5 EEBDHM Cc1ccc([C@@H](C)OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826283848 947815595 /nfs/dbraw/zinc/81/55/95/947815595.db2.gz CLRWKDBFYCPLAU-SECBINFHSA-N -1 3 342.315 2.329 20 5 EEBDHM Cc1nn(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC001594488828 959676242 /nfs/dbraw/zinc/67/62/42/959676242.db2.gz LIVVCMQLEMBSCD-GXFFZTMASA-N -1 3 332.360 2.253 20 5 EEBDHM CSCCCN(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599799097 988145392 /nfs/dbraw/zinc/14/53/92/988145392.db2.gz OIVOBKYBFRTMQW-UHFFFAOYSA-N -1 3 328.390 2.243 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(F)c1 ZINC000055949521 214350735 /nfs/dbraw/zinc/35/07/35/214350735.db2.gz WFFUWPFRWFVGFU-UHFFFAOYSA-N -1 3 328.296 2.352 20 5 EEBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000173813200 529653391 /nfs/dbraw/zinc/65/33/91/529653391.db2.gz NQPFBJQBNKWXMR-UHFFFAOYSA-N -1 3 341.414 2.401 20 5 EEBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000173811139 529653417 /nfs/dbraw/zinc/65/34/17/529653417.db2.gz DZAACOUGHVNQQD-UHFFFAOYSA-N -1 3 341.414 2.401 20 5 EEBDHM Cc1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000098039076 219073905 /nfs/dbraw/zinc/07/39/05/219073905.db2.gz FOYDSBYSIRHHDH-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193272826 240085701 /nfs/dbraw/zinc/08/57/01/240085701.db2.gz NPYXOAVWCXNPLN-LLVKDONJSA-N -1 3 347.824 2.011 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cncs2)c([N+](=O)[O-])c1 ZINC000439205393 242072571 /nfs/dbraw/zinc/07/25/71/242072571.db2.gz VNQLHBLGBMMHDS-QMMMGPOBSA-N -1 3 343.386 2.099 20 5 EEBDHM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000452056619 243338191 /nfs/dbraw/zinc/33/81/91/243338191.db2.gz WYHKILREQPNIHO-UHFFFAOYSA-N -1 3 348.446 2.450 20 5 EEBDHM O=c1nc(Cn2cnc([N+](=O)[O-])c2)[n-]c2sc3c(c21)CCCC3 ZINC000077902432 216994732 /nfs/dbraw/zinc/99/47/32/216994732.db2.gz NAANQFOGFOMMGU-UHFFFAOYSA-N -1 3 331.357 2.016 20 5 EEBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491911677 246209457 /nfs/dbraw/zinc/20/94/57/246209457.db2.gz HJRBLYSCVPGWGQ-BQYQJAHWSA-N -1 3 344.327 2.455 20 5 EEBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491911677 246209462 /nfs/dbraw/zinc/20/94/62/246209462.db2.gz HJRBLYSCVPGWGQ-BQYQJAHWSA-N -1 3 344.327 2.455 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCSCC2)c(F)c1 ZINC000264946602 247075055 /nfs/dbraw/zinc/07/50/55/247075055.db2.gz IUTNPXFFCSZMHV-UHFFFAOYSA-N -1 3 334.394 2.155 20 5 EEBDHM O=C(CC1(N2CCOCC2)CCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546075 218149187 /nfs/dbraw/zinc/14/91/87/218149187.db2.gz KLQKFYDOVQQISR-UHFFFAOYSA-N -1 3 349.387 2.274 20 5 EEBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000353789119 286139915 /nfs/dbraw/zinc/13/99/15/286139915.db2.gz FCOPPTGWVHYRBR-GFCCVEGCSA-N -1 3 330.406 2.243 20 5 EEBDHM CN(C)CCOc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356005739 153240576 /nfs/dbraw/zinc/24/05/76/153240576.db2.gz UEAYAECBYVBJEG-UHFFFAOYSA-N -1 3 345.355 2.493 20 5 EEBDHM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)N(C)C)cc1 ZINC000127657067 292328962 /nfs/dbraw/zinc/32/89/62/292328962.db2.gz UHVNDHXHZHSMGJ-OAHLLOKOSA-N -1 3 344.371 2.037 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000190006904 160153761 /nfs/dbraw/zinc/15/37/61/160153761.db2.gz BCLWKFMYLCBCIS-OLZOCXBDSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(=O)C(C)(C)C)c1[N+](=O)[O-] ZINC000190156653 160155817 /nfs/dbraw/zinc/15/58/17/160155817.db2.gz FYEFAXMBESUDHJ-UHFFFAOYSA-N -1 3 328.390 2.105 20 5 EEBDHM Cc1ncc(CNc2ncc([N+](=O)[O-])cc2Br)c(=O)[n-]1 ZINC000343615507 161151623 /nfs/dbraw/zinc/15/16/23/161151623.db2.gz ZTERGXOEKHOZNK-UHFFFAOYSA-N -1 3 340.137 2.168 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EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCSC2)c1[N+](=O)[O-] ZINC000276773338 463751281 /nfs/dbraw/zinc/75/12/81/463751281.db2.gz HLWVWAHBPHOREI-NSHDSACASA-N -1 3 330.431 2.386 20 5 EEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1F ZINC000180170378 464257814 /nfs/dbraw/zinc/25/78/14/464257814.db2.gz BSHMTVIEDSNEBI-UHFFFAOYSA-N -1 3 325.321 2.492 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)c1C ZINC000272062638 464464157 /nfs/dbraw/zinc/46/41/57/464464157.db2.gz PMXNAIBIENXTDR-OCCSQVGLSA-N -1 3 342.417 2.448 20 5 EEBDHM CCn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285661671 464647888 /nfs/dbraw/zinc/64/78/88/464647888.db2.gz FIFBKZPWFWYBOS-UHFFFAOYSA-N -1 3 327.247 2.060 20 5 EEBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000182795842 464728828 /nfs/dbraw/zinc/72/88/28/464728828.db2.gz QFQKBVUDKKLRFX-UHFFFAOYSA-N -1 3 333.388 2.391 20 5 EEBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000360888445 465623372 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578002239 /nfs/dbraw/zinc/00/22/39/578002239.db2.gz POCLFFCVSOMOQD-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000738167226 578002240 /nfs/dbraw/zinc/00/22/40/578002240.db2.gz POCLFFCVSOMOQD-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000738167750 578002270 /nfs/dbraw/zinc/00/22/70/578002270.db2.gz TXLZINSWQNLUKD-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000738167750 578002271 /nfs/dbraw/zinc/00/22/71/578002271.db2.gz TXLZINSWQNLUKD-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM COCCN1CCC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737807646 577046740 /nfs/dbraw/zinc/04/67/40/577046740.db2.gz CTUJEVWCCCGEOV-BRLPQQTGSA-N -1 3 349.387 2.215 20 5 EEBDHM CCOC(=O)c1cc(C(=O)[N-]Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000773471142 577345275 /nfs/dbraw/zinc/34/52/75/577345275.db2.gz XDQAXVFHBOGABK-UHFFFAOYSA-N -1 3 330.296 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599201539 /nfs/dbraw/zinc/20/15/39/599201539.db2.gz UPLHFNCNFVJYNY-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CC(C)C[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820067001 606480538 /nfs/dbraw/zinc/48/05/38/606480538.db2.gz ABVWORDUVGMUKQ-LBPRGKRZSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)C[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820067001 606480540 /nfs/dbraw/zinc/48/05/40/606480540.db2.gz ABVWORDUVGMUKQ-LBPRGKRZSA-N -1 3 332.364 2.026 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821845776 606484153 /nfs/dbraw/zinc/48/41/53/606484153.db2.gz JBJIWGBZDJMHAP-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821845776 606484154 /nfs/dbraw/zinc/48/41/54/606484154.db2.gz JBJIWGBZDJMHAP-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823409430 606566695 /nfs/dbraw/zinc/56/66/95/606566695.db2.gz HITOXYIJLNBIBT-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823409430 606566697 /nfs/dbraw/zinc/56/66/97/606566697.db2.gz HITOXYIJLNBIBT-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000823639827 606727729 /nfs/dbraw/zinc/72/77/29/606727729.db2.gz HZUWVROCJDQSJJ-MPKXVKKWSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000823639827 606727730 /nfs/dbraw/zinc/72/77/30/606727730.db2.gz HZUWVROCJDQSJJ-MPKXVKKWSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000823639828 606728114 /nfs/dbraw/zinc/72/81/14/606728114.db2.gz HZUWVROCJDQSJJ-QKCSRTOESA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000823639828 606728115 /nfs/dbraw/zinc/72/81/15/606728115.db2.gz HZUWVROCJDQSJJ-QKCSRTOESA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826292184 607874266 /nfs/dbraw/zinc/87/42/66/607874266.db2.gz LGFGKGWRQAPRMD-HNNXBMFYSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826292184 607874267 /nfs/dbraw/zinc/87/42/67/607874267.db2.gz LGFGKGWRQAPRMD-HNNXBMFYSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccc(F)cc1 ZINC000826499493 607876717 /nfs/dbraw/zinc/87/67/17/607876717.db2.gz KTMCXULKMFYNOC-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1ccc(F)cc1 ZINC000826499493 607876718 /nfs/dbraw/zinc/87/67/18/607876718.db2.gz KTMCXULKMFYNOC-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM Cn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C(F)F ZINC000826366671 607967673 /nfs/dbraw/zinc/96/76/73/607967673.db2.gz SRYNVIFLJYBALF-UHFFFAOYSA-N -1 3 336.262 2.190 20 5 EEBDHM Cn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C(F)F ZINC000826366671 607967674 /nfs/dbraw/zinc/96/76/74/607967674.db2.gz SRYNVIFLJYBALF-UHFFFAOYSA-N -1 3 336.262 2.190 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826304553 608008840 /nfs/dbraw/zinc/00/88/40/608008840.db2.gz PIHFUIQPMYYJEW-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826304553 608008841 /nfs/dbraw/zinc/00/88/41/608008841.db2.gz PIHFUIQPMYYJEW-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826304208 608008948 /nfs/dbraw/zinc/00/89/48/608008948.db2.gz CAPYHMVTNLXNMM-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826304208 608008949 /nfs/dbraw/zinc/00/89/49/608008949.db2.gz CAPYHMVTNLXNMM-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM CC(C)C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824243478 609170945 /nfs/dbraw/zinc/17/09/45/609170945.db2.gz HFHZFSQWGXIXEA-JQWIXIFHSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824243478 609170946 /nfs/dbraw/zinc/17/09/46/609170946.db2.gz HFHZFSQWGXIXEA-JQWIXIFHSA-N -1 3 347.379 2.176 20 5 EEBDHM O=C1[N-]C(=O)/C(=C/N2CCc3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000084576876 1189517915 /nfs/dbraw/zinc/51/79/15/1189517915.db2.gz NDGOMUGJIBBNKI-XNTDXEJSSA-N -1 3 335.319 2.268 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1N(C)CCCNC(=O)c1ccccc1[O-] ZINC001095480338 1205803156 /nfs/dbraw/zinc/80/31/56/1205803156.db2.gz AXIUXGFPVGRTRU-UHFFFAOYSA-N -1 3 344.371 2.260 20 5 EEBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000903603209 1241127142 /nfs/dbraw/zinc/12/71/42/1241127142.db2.gz MMSZFQQQIAOILY-QGZVFWFLSA-N -1 3 327.340 2.218 20 5 EEBDHM Cc1cc(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)co1 ZINC001057319776 1243255224 /nfs/dbraw/zinc/25/52/24/1243255224.db2.gz IUPFWBWJLVXWGM-UHFFFAOYSA-N -1 3 346.343 2.314 20 5 EEBDHM CC(C)(C)/C=C/C(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101320045 1245654724 /nfs/dbraw/zinc/65/47/24/1245654724.db2.gz NFRCBRGDXXZCID-SOFGYWHQSA-N -1 3 348.403 2.383 20 5 EEBDHM CCN(CCNC(=O)CCC(C)(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100760969 1259225872 /nfs/dbraw/zinc/22/58/72/1259225872.db2.gz ONNXYDIQWWLWOR-UHFFFAOYSA-N -1 3 346.334 2.073 20 5 EEBDHM C[C@H]1[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225664345 1301116002 /nfs/dbraw/zinc/11/60/02/1301116002.db2.gz NIJGLVIZLOORIX-WPRPVWTQSA-N -1 3 325.321 2.082 20 5 EEBDHM COC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228686240 1302381103 /nfs/dbraw/zinc/38/11/03/1302381103.db2.gz MVHZNDSNSFZQAE-AWEZNQCLSA-N -1 3 336.275 2.436 20 5 EEBDHM Cc1nc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378292 1302754109 /nfs/dbraw/zinc/75/41/09/1302754109.db2.gz JZMJORUHSPPGOY-CMPLNLGQSA-N -1 3 345.359 2.008 20 5 EEBDHM O=C(CC1CC1)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103402388 1302911061 /nfs/dbraw/zinc/91/10/61/1302911061.db2.gz TWCUFGAOLCVJPY-UHFFFAOYSA-N -1 3 334.376 2.336 20 5 EEBDHM O=C(CCC1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111775440 1303867745 /nfs/dbraw/zinc/86/77/45/1303867745.db2.gz DPMABQACKZMMML-UHFFFAOYSA-N -1 3 334.376 2.336 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C2CC2)CC1 ZINC001112137372 1304270189 /nfs/dbraw/zinc/27/01/89/1304270189.db2.gz ICVNICHBWRCJFF-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM COc1cccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605317141 1351135024 /nfs/dbraw/zinc/13/50/24/1351135024.db2.gz STFUQDKJFDKMJX-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1cccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605317141 1351135027 /nfs/dbraw/zinc/13/50/27/1351135027.db2.gz STFUQDKJFDKMJX-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc(C)n1 ZINC001325291943 1333858996 /nfs/dbraw/zinc/85/89/96/1333858996.db2.gz YLRDQQURENOUBU-UHFFFAOYSA-N -1 3 335.385 2.446 20 5 EEBDHM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C ZINC001609238821 1351905196 /nfs/dbraw/zinc/90/51/96/1351905196.db2.gz SOXWQIHSPJCNCX-KGLIPLIRSA-N -1 3 346.391 2.415 20 5 EEBDHM O=[N+]([O-])c1cc(Cn2ccc(-c3nnn[n-]3)c2)ccc1Br ZINC001609600586 1352030472 /nfs/dbraw/zinc/03/04/72/1352030472.db2.gz SBNWGVPCGBYXQX-UHFFFAOYSA-N -1 3 349.148 2.387 20 5 EEBDHM O=[N+]([O-])c1cc(Cn2ccc(-c3nn[n-]n3)c2)ccc1Br ZINC001609600586 1352030476 /nfs/dbraw/zinc/03/04/76/1352030476.db2.gz SBNWGVPCGBYXQX-UHFFFAOYSA-N -1 3 349.148 2.387 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001609600955 1352030673 /nfs/dbraw/zinc/03/06/73/1352030673.db2.gz LAOHQLQGIWPWRV-BXUZGUMPSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001609600957 1352031079 /nfs/dbraw/zinc/03/10/79/1352031079.db2.gz LAOHQLQGIWPWRV-RISCZKNCSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(NCCCNc2ccccn2)ccc1-c1nnn[n-]1 ZINC001609601275 1352031183 /nfs/dbraw/zinc/03/11/83/1352031183.db2.gz VHUUYGGNFKSYRV-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM O=[N+]([O-])c1cc(NCCCNc2ccccn2)ccc1-c1nn[n-]n1 ZINC001609601275 1352031188 /nfs/dbraw/zinc/03/11/88/1352031188.db2.gz VHUUYGGNFKSYRV-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM CC(C)(C)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589104922 1348960884 /nfs/dbraw/zinc/96/08/84/1348960884.db2.gz KCWSPNFGYNUFCG-CQSZACIVSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)(C)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589104922 1348960886 /nfs/dbraw/zinc/96/08/86/1348960886.db2.gz KCWSPNFGYNUFCG-CQSZACIVSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001589251801 1348975087 /nfs/dbraw/zinc/97/50/87/1348975087.db2.gz QYIPTPZRPGTLPH-UHFFFAOYSA-N -1 3 349.395 2.197 20 5 EEBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001589251801 1348975091 /nfs/dbraw/zinc/97/50/91/1348975091.db2.gz QYIPTPZRPGTLPH-UHFFFAOYSA-N -1 3 349.395 2.197 20 5 EEBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccsc1 ZINC001589991010 1349095270 /nfs/dbraw/zinc/09/52/70/1349095270.db2.gz NWHAADLZTOZSOY-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccsc1 ZINC001589991010 1349095277 /nfs/dbraw/zinc/09/52/77/1349095277.db2.gz NWHAADLZTOZSOY-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334741 1349271233 /nfs/dbraw/zinc/27/12/33/1349271233.db2.gz LJMCWLLGDPPIBC-ZYPMPIKKSA-N -1 3 336.327 2.138 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334741 1349271238 /nfs/dbraw/zinc/27/12/38/1349271238.db2.gz LJMCWLLGDPPIBC-ZYPMPIKKSA-N -1 3 336.327 2.138 20 5 EEBDHM CCC[C@@H]1C[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590653872 1349383277 /nfs/dbraw/zinc/38/32/77/1349383277.db2.gz PCBNBTJHRLPEKM-MWLCHTKSSA-N -1 3 331.332 2.254 20 5 EEBDHM CCC[C@@H]1C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590653872 1349383282 /nfs/dbraw/zinc/38/32/82/1349383282.db2.gz PCBNBTJHRLPEKM-MWLCHTKSSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001591729991 1349536415 /nfs/dbraw/zinc/53/64/15/1349536415.db2.gz QIRSDGIMKGIVPZ-MRVPVSSYSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001591729991 1349536420 /nfs/dbraw/zinc/53/64/20/1349536420.db2.gz QIRSDGIMKGIVPZ-MRVPVSSYSA-N -1 3 344.356 2.327 20 5 EEBDHM Cc1cc(NC[C@H](O)CC(C)(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042119 1349587524 /nfs/dbraw/zinc/58/75/24/1349587524.db2.gz YOBCOZITWJOXFL-SNVBAGLBSA-N -1 3 334.380 2.292 20 5 EEBDHM Cc1cc(NC[C@H](O)CC(C)(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042119 1349587528 /nfs/dbraw/zinc/58/75/28/1349587528.db2.gz YOBCOZITWJOXFL-SNVBAGLBSA-N -1 3 334.380 2.292 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592068281 1349587855 /nfs/dbraw/zinc/58/78/55/1349587855.db2.gz AXQDUFORYDUFBM-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592068281 1349587860 /nfs/dbraw/zinc/58/78/60/1349587860.db2.gz AXQDUFORYDUFBM-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC001592758659 1349713666 /nfs/dbraw/zinc/71/36/66/1349713666.db2.gz ZYCAVZMRNWBUJZ-DAXSKMNVSA-N -1 3 337.343 2.482 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC001592758659 1349713669 /nfs/dbraw/zinc/71/36/69/1349713669.db2.gz ZYCAVZMRNWBUJZ-DAXSKMNVSA-N -1 3 337.343 2.482 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCc2cccnc21 ZINC001593470780 1349806195 /nfs/dbraw/zinc/80/61/95/1349806195.db2.gz LGBYQEWVLKWYRJ-LBPRGKRZSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCc2cccnc21 ZINC001593470780 1349806199 /nfs/dbraw/zinc/80/61/99/1349806199.db2.gz LGBYQEWVLKWYRJ-LBPRGKRZSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593471903 1349807012 /nfs/dbraw/zinc/80/70/12/1349807012.db2.gz VZEUSLKXJZYVFH-PUYPPJJSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593471903 1349807016 /nfs/dbraw/zinc/80/70/16/1349807016.db2.gz VZEUSLKXJZYVFH-PUYPPJJSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCc2cc(F)ccc21 ZINC001593471443 1349807409 /nfs/dbraw/zinc/80/74/09/1349807409.db2.gz RCWLWIRCXVLRIT-GFCCVEGCSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCc2cc(F)ccc21 ZINC001593471443 1349807410 /nfs/dbraw/zinc/80/74/10/1349807410.db2.gz RCWLWIRCXVLRIT-GFCCVEGCSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001593480847 1349812890 /nfs/dbraw/zinc/81/28/90/1349812890.db2.gz ADNSHUUAVGFAKP-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001593480847 1349812894 /nfs/dbraw/zinc/81/28/94/1349812894.db2.gz ADNSHUUAVGFAKP-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2cccnc2)C1 ZINC001593482029 1349813750 /nfs/dbraw/zinc/81/37/50/1349813750.db2.gz VPKJTENRKDIZKU-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2cccnc2)C1 ZINC001593482029 1349813754 /nfs/dbraw/zinc/81/37/54/1349813754.db2.gz VPKJTENRKDIZKU-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1ncccc1CN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001593486928 1349815294 /nfs/dbraw/zinc/81/52/94/1349815294.db2.gz DDARCBDVNVGHTC-UHFFFAOYSA-N -1 3 337.343 2.123 20 5 EEBDHM CC(C)CO[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603299632 1350682571 /nfs/dbraw/zinc/68/25/71/1350682571.db2.gz PMDUWVWPHZCJJK-NSHDSACASA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)CO[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603299632 1350682575 /nfs/dbraw/zinc/68/25/75/1350682575.db2.gz PMDUWVWPHZCJJK-NSHDSACASA-N -1 3 332.364 2.026 20 5 EEBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668452 1350738047 /nfs/dbraw/zinc/73/80/47/1350738047.db2.gz VWNGWXUTBGHGFH-JTQLQIEISA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668452 1350738056 /nfs/dbraw/zinc/73/80/56/1350738056.db2.gz VWNGWXUTBGHGFH-JTQLQIEISA-N -1 3 325.332 2.021 20 5 EEBDHM CCc1noc(C)c1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604586538 1350965176 /nfs/dbraw/zinc/96/51/76/1350965176.db2.gz NEXFXJDSVASUQQ-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CCc1noc(C)c1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604586538 1350965180 /nfs/dbraw/zinc/96/51/80/1350965180.db2.gz NEXFXJDSVASUQQ-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM COC(=O)C(C)(C)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604900800 1351027965 /nfs/dbraw/zinc/02/79/65/1351027965.db2.gz JCGLNLDXVPUOBR-UHFFFAOYSA-N -1 3 337.361 2.066 20 5 EEBDHM COC(=O)C(C)(C)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604900800 1351027969 /nfs/dbraw/zinc/02/79/69/1351027969.db2.gz JCGLNLDXVPUOBR-UHFFFAOYSA-N -1 3 337.361 2.066 20 5 EEBDHM CSC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001605377200 1351147890 /nfs/dbraw/zinc/14/78/90/1351147890.db2.gz PVAOTBOVZRJWGZ-SNVBAGLBSA-N -1 3 334.405 2.354 20 5 EEBDHM CSC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001605377200 1351147893 /nfs/dbraw/zinc/14/78/93/1351147893.db2.gz PVAOTBOVZRJWGZ-SNVBAGLBSA-N -1 3 334.405 2.354 20 5 EEBDHM Cc1cc(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724279 1351218318 /nfs/dbraw/zinc/21/83/18/1351218318.db2.gz ZAYPMLSLTMOIEJ-QSDJMHMYSA-N -1 3 332.364 2.307 20 5 EEBDHM Cc1cc(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724279 1351218320 /nfs/dbraw/zinc/21/83/20/1351218320.db2.gz ZAYPMLSLTMOIEJ-QSDJMHMYSA-N -1 3 332.364 2.307 20 5 EEBDHM Cc1ccc([C@@H]2C[C@H]2Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001605884660 1351245866 /nfs/dbraw/zinc/24/58/66/1351245866.db2.gz ULSHXSDSBTZFSA-GXTWGEPZSA-N -1 3 337.343 2.446 20 5 EEBDHM Cc1ccc([C@@H]2C[C@H]2Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001605884660 1351245868 /nfs/dbraw/zinc/24/58/68/1351245868.db2.gz ULSHXSDSBTZFSA-GXTWGEPZSA-N -1 3 337.343 2.446 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCC12CCOCC2 ZINC001607079058 1351408717 /nfs/dbraw/zinc/40/87/17/1351408717.db2.gz FVGJJDGEBWJSOS-LBPRGKRZSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC12CCOCC2 ZINC001607079058 1351408719 /nfs/dbraw/zinc/40/87/19/1351408719.db2.gz FVGJJDGEBWJSOS-LBPRGKRZSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@H]1C[C@@]12CCOC2 ZINC001607079653 1351408793 /nfs/dbraw/zinc/40/87/93/1351408793.db2.gz NVQKVLGIDXOIGE-IUODEOHRSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@H]1C[C@@]12CCOC2 ZINC001607079653 1351408795 /nfs/dbraw/zinc/40/87/95/1351408795.db2.gz NVQKVLGIDXOIGE-IUODEOHRSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H](O)c1cccc(F)c1 ZINC001607082420 1351410399 /nfs/dbraw/zinc/41/03/99/1351410399.db2.gz PCGUHCNPQKJAIV-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H](O)c1cccc(F)c1 ZINC001607082420 1351410401 /nfs/dbraw/zinc/41/04/01/1351410401.db2.gz PCGUHCNPQKJAIV-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCc3occc3C2)c(-c2nnn[n-]2)c1 ZINC001607082677 1351411254 /nfs/dbraw/zinc/41/12/54/1351411254.db2.gz RNYXVNLIIJSAED-UHFFFAOYSA-N -1 3 326.316 2.321 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCc3occc3C2)c(-c2nn[n-]n2)c1 ZINC001607082677 1351411256 /nfs/dbraw/zinc/41/12/56/1351411256.db2.gz RNYXVNLIIJSAED-UHFFFAOYSA-N -1 3 326.316 2.321 20 5 EEBDHM COC[C@@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591392823 1403908387 /nfs/dbraw/zinc/90/83/87/1403908387.db2.gz PPYRAGLLOWMIMS-GFCCVEGCSA-N -1 3 346.391 2.336 20 5 EEBDHM COC[C@@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591392823 1403908391 /nfs/dbraw/zinc/90/83/91/1403908391.db2.gz PPYRAGLLOWMIMS-GFCCVEGCSA-N -1 3 346.391 2.336 20 5 EEBDHM C/C(=C/C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001091425927 790709836 /nfs/dbraw/zinc/70/98/36/790709836.db2.gz HIWIYGXUPJXYJG-GFKPOBKPSA-N -1 3 346.387 2.358 20 5 EEBDHM CC(C)(C)C12CC(C(=O)NCCNc3cc[n-]c(=O)c3[N+](=O)[O-])(C1)C2 ZINC001093691868 795587552 /nfs/dbraw/zinc/58/75/52/795587552.db2.gz IVNWELANWREFIS-UHFFFAOYSA-N -1 3 348.403 2.440 20 5 EEBDHM CC1(C)C2CCC1(C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001094167761 795980290 /nfs/dbraw/zinc/98/02/90/795980290.db2.gz MEAHSPKSQLCREU-UHFFFAOYSA-N -1 3 348.403 2.440 20 5 EEBDHM CC(C)=C(C)CC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095201239 797507059 /nfs/dbraw/zinc/50/70/59/797507059.db2.gz ISLQLAZQQKBNDJ-UHFFFAOYSA-N -1 3 348.403 2.481 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(F)CCCC1 ZINC001106887905 797719866 /nfs/dbraw/zinc/71/98/66/797719866.db2.gz NDWXETPTDSTFFG-UHFFFAOYSA-N -1 3 340.355 2.238 20 5 EEBDHM O=C(NC[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001065934867 799778274 /nfs/dbraw/zinc/77/82/74/799778274.db2.gz FFJJEZLAFPIOLE-HAQNSBGRSA-N -1 3 348.403 2.440 20 5 EEBDHM CC(C)C1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110338225 801707588 /nfs/dbraw/zinc/70/75/88/801707588.db2.gz SVTGSTNAYYTJCP-UHFFFAOYSA-N -1 3 334.376 2.192 20 5 EEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808098418 812455602 /nfs/dbraw/zinc/45/56/02/812455602.db2.gz MAMLHMXWQHNXQO-UHFFFAOYSA-N -1 3 344.299 2.233 20 5 EEBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CC(F)(F)F ZINC001575135601 952119766 /nfs/dbraw/zinc/11/97/66/952119766.db2.gz LYKHIGYCBAVEMT-ZCFIWIBFSA-N -1 3 345.285 2.358 20 5 EEBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CC(F)(F)F ZINC001575135601 952119773 /nfs/dbraw/zinc/11/97/73/952119773.db2.gz LYKHIGYCBAVEMT-ZCFIWIBFSA-N -1 3 345.285 2.358 20 5 EEBDHM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000874043856 969363912 /nfs/dbraw/zinc/36/39/12/969363912.db2.gz ZOEIQIZJORNYCK-CQSZACIVSA-N -1 3 328.752 2.171 20 5 EEBDHM CCNC(=O)C[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596457254 984167602 /nfs/dbraw/zinc/16/76/02/984167602.db2.gz UOKYEHKQXJSWCX-CQSZACIVSA-N -1 3 349.387 2.174 20 5 EEBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000055285519 214302102 /nfs/dbraw/zinc/30/21/02/214302102.db2.gz ORKDYTXWAQPKIN-UHFFFAOYSA-N -1 3 329.312 2.189 20 5 EEBDHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193374781 237384858 /nfs/dbraw/zinc/38/48/58/237384858.db2.gz ISDXNURNFDRPFC-UHFFFAOYSA-N -1 3 331.313 2.399 20 5 EEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])OC ZINC000451642968 243188365 /nfs/dbraw/zinc/18/83/65/243188365.db2.gz ZOCLDGKNBXOGAZ-LBPRGKRZSA-N -1 3 330.406 2.305 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000267668410 256077491 /nfs/dbraw/zinc/07/74/91/256077491.db2.gz NUISXNACBNTARA-JTQLQIEISA-N -1 3 348.808 2.404 20 5 EEBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000267593891 256071109 /nfs/dbraw/zinc/07/11/09/256071109.db2.gz BMFQXANVHJPZGB-VIFPVBQESA-N -1 3 336.797 2.260 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccccn1 ZINC000350619319 140939439 /nfs/dbraw/zinc/93/94/39/140939439.db2.gz POOJORRDMNLKJH-UHFFFAOYSA-N -1 3 341.776 2.164 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOC(F)(F)F)c1[N+](=O)[O-] ZINC000360008750 292087454 /nfs/dbraw/zinc/08/74/54/292087454.db2.gz YLZYUQQMTCGUNV-UHFFFAOYSA-N -1 3 342.295 2.026 20 5 EEBDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000338725346 160798450 /nfs/dbraw/zinc/79/84/50/160798450.db2.gz MIZFZMMNSUONRS-KOLCDFICSA-N -1 3 348.808 2.484 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CSC[C@H]2C)cc1C ZINC000352337058 162092670 /nfs/dbraw/zinc/09/26/70/162092670.db2.gz CWYGPGPCVXMWFV-GHMZBOCLSA-N -1 3 330.431 2.241 20 5 EEBDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000356257384 163383221 /nfs/dbraw/zinc/38/32/21/163383221.db2.gz CTIZGMSHLYLESD-UHFFFAOYSA-N -1 3 335.385 2.457 20 5 EEBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000271660316 268848200 /nfs/dbraw/zinc/84/82/00/268848200.db2.gz KWHJNOQWHIYKAP-VIFPVBQESA-N -1 3 334.419 2.023 20 5 EEBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000271657626 268848207 /nfs/dbraw/zinc/84/82/07/268848207.db2.gz KKUHLTAGYLWWNS-VIFPVBQESA-N -1 3 334.419 2.023 20 5 EEBDHM O=C([N-]C1(c2nc[nH]n2)CCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000280805597 269392292 /nfs/dbraw/zinc/39/22/92/269392292.db2.gz MMWOLHFDCOCADR-UHFFFAOYSA-N -1 3 337.286 2.000 20 5 EEBDHM CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339203800 277016892 /nfs/dbraw/zinc/01/68/92/277016892.db2.gz KLLJUNMPZWJPAA-APHBMKBZSA-N -1 3 333.388 2.037 20 5 EEBDHM CNc1nc(C(=O)N2CCCc3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000456018319 277303714 /nfs/dbraw/zinc/30/37/14/277303714.db2.gz OBJQYPGYCIIDDV-UHFFFAOYSA-N -1 3 328.328 2.330 20 5 EEBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000292920919 293078849 /nfs/dbraw/zinc/07/88/49/293078849.db2.gz YAJXWBHCLYKLEU-UHFFFAOYSA-N -1 3 336.797 2.342 20 5 EEBDHM CCCc1[nH]nc(C(=O)[N-]c2n[nH]cc2Br)c1[N+](=O)[O-] ZINC000294073980 293363610 /nfs/dbraw/zinc/36/36/10/293363610.db2.gz YQQSUGARVFFDLA-UHFFFAOYSA-N -1 3 343.141 2.008 20 5 EEBDHM CS(=O)(=O)c1ccc([N-]c2ccn(CC(F)F)n2)c([N+](=O)[O-])c1 ZINC000301566306 294869858 /nfs/dbraw/zinc/86/98/58/294869858.db2.gz VSSKTAHFXISKSY-UHFFFAOYSA-N -1 3 346.315 2.204 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245979567 302048563 /nfs/dbraw/zinc/04/85/63/302048563.db2.gz CSNNIIUNQAPUFJ-SCRDCRAPSA-N -1 3 340.401 2.139 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000162778573 302048790 /nfs/dbraw/zinc/04/87/90/302048790.db2.gz LIQRGHBOZGTKMI-OCCSQVGLSA-N -1 3 340.401 2.139 20 5 EEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000416536717 313249552 /nfs/dbraw/zinc/24/95/52/313249552.db2.gz QKEQYHZVNQNMMZ-SCZZXKLOSA-N -1 3 334.781 2.094 20 5 EEBDHM CCOc1cc(CN2CC[C@@H](OC)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565962379 319231281 /nfs/dbraw/zinc/23/12/81/319231281.db2.gz PSUGAGCHBWFKOL-OCCSQVGLSA-N -1 3 338.360 2.058 20 5 EEBDHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000354613538 465055140 /nfs/dbraw/zinc/05/51/40/465055140.db2.gz JWYMKLPWJQDHLB-AWEZNQCLSA-N -1 3 348.384 2.123 20 5 EEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1c[n-]nc1-c1ccccn1 ZINC000354669801 465085012 /nfs/dbraw/zinc/08/50/12/465085012.db2.gz IDJUVKKUBGLVJE-UHFFFAOYSA-N -1 3 337.339 2.352 20 5 EEBDHM Cc1cc(NCCCNC(=O)c2cccc([O-])c2)ncc1[N+](=O)[O-] ZINC000074746280 462630089 /nfs/dbraw/zinc/63/00/89/462630089.db2.gz BWEOJPFUPJFEKS-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(F)(F)F)c1C ZINC000121111496 463081346 /nfs/dbraw/zinc/08/13/46/463081346.db2.gz DDLAIUCYHSEDSZ-UHFFFAOYSA-N -1 3 326.296 2.442 20 5 EEBDHM Cc1nc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000103258153 463399123 /nfs/dbraw/zinc/39/91/23/463399123.db2.gz WNVYPJCNUMQDHH-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000162608636 463524030 /nfs/dbraw/zinc/52/40/30/463524030.db2.gz OHZMGKGDZDXTFL-OCCSQVGLSA-N -1 3 340.401 2.139 20 5 EEBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000058537430 463607528 /nfs/dbraw/zinc/60/75/28/463607528.db2.gz CWRAEOFIFQEFGB-UHFFFAOYSA-N -1 3 345.377 2.316 20 5 EEBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173517953 464275381 /nfs/dbraw/zinc/27/53/81/464275381.db2.gz CRSFGUHJQWZZPJ-LLVKDONJSA-N -1 3 330.406 2.385 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000180766435 464389965 /nfs/dbraw/zinc/38/99/65/464389965.db2.gz RULWRMSBELADFD-NSHDSACASA-N -1 3 348.808 2.486 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CCO)C(C)(C)C)c1[N+](=O)[O-] ZINC000189986245 464580129 /nfs/dbraw/zinc/58/01/29/464580129.db2.gz MJOYVQXSKXFARN-GFCCVEGCSA-N -1 3 344.433 2.287 20 5 EEBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([O-])cc1F ZINC000183257009 464834401 /nfs/dbraw/zinc/83/44/01/464834401.db2.gz YUDSADHIBXDOLY-SECBINFHSA-N -1 3 347.302 2.197 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000268188839 464963288 /nfs/dbraw/zinc/96/32/88/464963288.db2.gz MJWUKHIMMNGSAO-CYBMUJFWSA-N -1 3 346.430 2.167 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C)CCCOC2)c1[N+](=O)[O-] ZINC000360006279 465518142 /nfs/dbraw/zinc/51/81/42/465518142.db2.gz IXVNLXSFQIZWMA-CQSZACIVSA-N -1 3 328.390 2.059 20 5 EEBDHM CCNC(=O)c1ccc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000362345871 465666089 /nfs/dbraw/zinc/66/60/89/465666089.db2.gz IZFGCONIEIKAQO-UHFFFAOYSA-N -1 3 344.327 2.006 20 5 EEBDHM COC(=O)c1cc(C(=O)Nc2cc([O-])cc(OC)c2)cc([N+](=O)[O-])c1 ZINC000357508623 466090660 /nfs/dbraw/zinc/09/06/60/466090660.db2.gz YWIIWLVYEWDMGB-UHFFFAOYSA-N -1 3 346.295 2.348 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000350729334 466590368 /nfs/dbraw/zinc/59/03/68/466590368.db2.gz KHWSYFLETXKBKD-UHFFFAOYSA-N -1 3 347.356 2.284 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000350729334 466590376 /nfs/dbraw/zinc/59/03/76/466590376.db2.gz KHWSYFLETXKBKD-UHFFFAOYSA-N -1 3 347.356 2.284 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)C(C)(C)O)c1[N+](=O)[O-] ZINC000452030429 467308764 /nfs/dbraw/zinc/30/87/64/467308764.db2.gz HBULJIFBSYAXFS-UHFFFAOYSA-N -1 3 344.433 2.287 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)cn1 ZINC000532620305 468127190 /nfs/dbraw/zinc/12/71/90/468127190.db2.gz IQXPWIJEWMPTRJ-UHFFFAOYSA-N -1 3 335.385 2.446 20 5 EEBDHM Cn1ncc2c1nc(CNC(C)(C)c1ccccc1[N+](=O)[O-])[n-]c2=O ZINC000590019603 468206509 /nfs/dbraw/zinc/20/65/09/468206509.db2.gz XQPMTUPRZWWJSN-UHFFFAOYSA-N -1 3 342.359 2.002 20 5 EEBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000490554461 468217937 /nfs/dbraw/zinc/21/79/37/468217937.db2.gz HAJMUWGUAIVZST-UHFFFAOYSA-N -1 3 334.369 2.217 20 5 EEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN(c2ccncc2)CC1 ZINC000602846721 469114697 /nfs/dbraw/zinc/11/46/97/469114697.db2.gz GBBZKHXMMYMLIG-UHFFFAOYSA-N -1 3 328.372 2.408 20 5 EEBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573373542 469118048 /nfs/dbraw/zinc/11/80/48/469118048.db2.gz DNDRWQROORCXAU-QPUJVOFHSA-N -1 3 339.779 2.166 20 5 EEBDHM COc1ccc(OCCN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000593747820 469121762 /nfs/dbraw/zinc/12/17/62/469121762.db2.gz CNSLIDDCIPNHPV-AAEUAGOBSA-N -1 3 338.360 2.025 20 5 EEBDHM C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]1(C)C(=O)[O-] ZINC000593754277 469124222 /nfs/dbraw/zinc/12/42/22/469124222.db2.gz UEBMYBBIPNTSAY-QLJPJBMISA-N -1 3 346.343 2.187 20 5 EEBDHM CCc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000563059570 469156838 /nfs/dbraw/zinc/15/68/38/469156838.db2.gz QRVZCZNTNPQAIU-SSDOTTSWSA-N -1 3 326.296 2.386 20 5 EEBDHM O=c1[n-]ccc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596235029 469216375 /nfs/dbraw/zinc/21/63/75/469216375.db2.gz QKOUJZQCZFKYPS-QGZVFWFLSA-N -1 3 347.346 2.266 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000616424261 469444183 /nfs/dbraw/zinc/44/41/83/469444183.db2.gz ALZOCDDVSAGLFF-CHWSQXEVSA-N -1 3 342.417 2.305 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[n-]1 ZINC000619448936 469610224 /nfs/dbraw/zinc/61/02/24/469610224.db2.gz MEJMJTLWFSIIKE-UHFFFAOYSA-N -1 3 343.299 2.228 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c[n-]1 ZINC000619448936 469610228 /nfs/dbraw/zinc/61/02/28/469610228.db2.gz MEJMJTLWFSIIKE-UHFFFAOYSA-N -1 3 343.299 2.228 20 5 EEBDHM CCN(CC)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000187033846 528278829 /nfs/dbraw/zinc/27/88/29/528278829.db2.gz ZUNZWNCUPNBOHH-CYBMUJFWSA-N -1 3 348.359 2.101 20 5 EEBDHM CCN(CC)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000186950344 528313536 /nfs/dbraw/zinc/31/35/36/528313536.db2.gz NEYWRHGUACWVIQ-UHFFFAOYSA-N -1 3 331.332 2.189 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2ccccc2CC1 ZINC000738357559 578010559 /nfs/dbraw/zinc/01/05/59/578010559.db2.gz FHXZMGWSKNHDJU-UHFFFAOYSA-N -1 3 336.355 2.380 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2ccccc2CC1 ZINC000738357559 578010560 /nfs/dbraw/zinc/01/05/60/578010560.db2.gz FHXZMGWSKNHDJU-UHFFFAOYSA-N -1 3 336.355 2.380 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000738367949 578011048 /nfs/dbraw/zinc/01/10/48/578011048.db2.gz XLFNZJQMZSLKIK-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000738367949 578011049 /nfs/dbraw/zinc/01/10/49/578011049.db2.gz XLFNZJQMZSLKIK-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000738368316 578011074 /nfs/dbraw/zinc/01/10/74/578011074.db2.gz CCBBTCGIBAIXHL-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000738368316 578011075 /nfs/dbraw/zinc/01/10/75/578011075.db2.gz CCBBTCGIBAIXHL-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768818534 577563220 /nfs/dbraw/zinc/56/32/20/577563220.db2.gz YXQDLLPRUICRQR-JTQLQIEISA-N -1 3 342.398 2.402 20 5 EEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000768843480 577563797 /nfs/dbraw/zinc/56/37/97/577563797.db2.gz VGHBGNDLNQRBEY-JLLWLGSASA-N -1 3 346.430 2.138 20 5 EEBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2n[n-]nc2c1 ZINC000756993152 577854562 /nfs/dbraw/zinc/85/45/62/577854562.db2.gz OCUYXFPNYVTWCE-UHFFFAOYSA-N -1 3 331.719 2.450 20 5 EEBDHM CC(C)(C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735597600 578160679 /nfs/dbraw/zinc/16/06/79/578160679.db2.gz QJTQRCNXFNDHPJ-UHFFFAOYSA-N -1 3 331.380 2.432 20 5 EEBDHM CC(C)(C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735597600 578160680 /nfs/dbraw/zinc/16/06/80/578160680.db2.gz QJTQRCNXFNDHPJ-UHFFFAOYSA-N -1 3 331.380 2.432 20 5 EEBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000736741836 578221546 /nfs/dbraw/zinc/22/15/46/578221546.db2.gz UEMHIIBUFZSLPC-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000736741836 578221547 /nfs/dbraw/zinc/22/15/47/578221547.db2.gz UEMHIIBUFZSLPC-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC000820047332 599097203 /nfs/dbraw/zinc/09/72/03/599097203.db2.gz XPZFCSMPRQPELZ-CYBMUJFWSA-N -1 3 334.405 2.353 20 5 EEBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC000820047332 599097206 /nfs/dbraw/zinc/09/72/06/599097206.db2.gz XPZFCSMPRQPELZ-CYBMUJFWSA-N -1 3 334.405 2.353 20 5 EEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823368375 607263200 /nfs/dbraw/zinc/26/32/00/607263200.db2.gz VPTMTOHCUMDHOL-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823368375 607263201 /nfs/dbraw/zinc/26/32/01/607263201.db2.gz VPTMTOHCUMDHOL-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM Cc1nn(CN(C[C@@H](C)C(=O)[O-])C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000833016762 602193408 /nfs/dbraw/zinc/19/34/08/602193408.db2.gz GJYMEDIGQFPCNT-SNVBAGLBSA-N -1 3 332.360 2.396 20 5 EEBDHM COC1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821679660 606103364 /nfs/dbraw/zinc/10/33/64/606103364.db2.gz GYLOKYHUNQETEV-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM COC1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821679660 606103366 /nfs/dbraw/zinc/10/33/66/606103366.db2.gz GYLOKYHUNQETEV-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498280 607870235 /nfs/dbraw/zinc/87/02/35/607870235.db2.gz OFZVORLCCRJGIB-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498280 607870236 /nfs/dbraw/zinc/87/02/36/607870236.db2.gz OFZVORLCCRJGIB-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825679722 608236044 /nfs/dbraw/zinc/23/60/44/608236044.db2.gz BOYKSCUADDVIFC-LLVKDONJSA-N -1 3 348.363 2.307 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825679722 608236046 /nfs/dbraw/zinc/23/60/46/608236046.db2.gz BOYKSCUADDVIFC-LLVKDONJSA-N -1 3 348.363 2.307 20 5 EEBDHM Cc1cscc1C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059183099 683075956 /nfs/dbraw/zinc/07/59/56/683075956.db2.gz WUPMRTXMXGAYCZ-MGCOHNPYSA-N -1 3 348.384 2.438 20 5 EEBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436676430 694451473 /nfs/dbraw/zinc/45/14/73/694451473.db2.gz PGJPJCBOUCJQTR-UHFFFAOYSA-N -1 3 344.323 2.344 20 5 EEBDHM CCc1ccc(C(=O)N(CC)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001106995906 1192047364 /nfs/dbraw/zinc/04/73/64/1192047364.db2.gz AFHIYZWGHJRXQZ-UHFFFAOYSA-N -1 3 348.359 2.425 20 5 EEBDHM CN(CCCNC(=O)CCC1(C)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095627656 1205896084 /nfs/dbraw/zinc/89/60/84/1205896084.db2.gz FTCZNFMRTMKMTC-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CC1(C)CC(C(=O)N2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC001057133715 1241944726 /nfs/dbraw/zinc/94/47/26/1241944726.db2.gz RFVDRMQPJNLYGX-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM O=C(C1CCCCCC1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055741243 1250738241 /nfs/dbraw/zinc/73/82/41/1250738241.db2.gz HKIJTDLLGGPDON-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCN(C(=O)CC2CCC2)CC1 ZINC001068655373 1251470476 /nfs/dbraw/zinc/47/04/76/1251470476.db2.gz GYRJPOIKOMYIBK-UHFFFAOYSA-N -1 3 348.403 2.313 20 5 EEBDHM Cc1c(Nc2ccc(C(N)=O)c([O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211297680 1295806648 /nfs/dbraw/zinc/80/66/48/1295806648.db2.gz WLDCQEBMWCMDMV-UHFFFAOYSA-N -1 3 332.272 2.360 20 5 EEBDHM Cc1ccccc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101502852 1299669617 /nfs/dbraw/zinc/66/96/17/1299669617.db2.gz PXZDXKCGSKNUBU-UHFFFAOYSA-N -1 3 330.344 2.188 20 5 EEBDHM C[C@@H]1[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CN1C(=O)OC(C)(C)C ZINC001227692452 1301931715 /nfs/dbraw/zinc/93/17/15/1301931715.db2.gz YNCACPFGGYGNIB-SCZZXKLOSA-N -1 3 349.347 2.253 20 5 EEBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742553 1301949258 /nfs/dbraw/zinc/94/92/58/1301949258.db2.gz AYOILTQIBONMFD-MRVPVSSYSA-N -1 3 346.303 2.352 20 5 EEBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742553 1301949261 /nfs/dbraw/zinc/94/92/61/1301949261.db2.gz AYOILTQIBONMFD-MRVPVSSYSA-N -1 3 346.303 2.352 20 5 EEBDHM COC(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228687464 1302381656 /nfs/dbraw/zinc/38/16/56/1302381656.db2.gz XJBFASXCEBOVRQ-CQSZACIVSA-N -1 3 336.275 2.436 20 5 EEBDHM CC/C=C(\C)C(=O)N1CCC(N(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001115131121 1304721209 /nfs/dbraw/zinc/72/12/09/1304721209.db2.gz JRPWRWJPZXVOFE-LFYBBSHMSA-N -1 3 348.403 2.479 20 5 EEBDHM Cc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(N)c([N+](=O)[O-])c1 ZINC000837498455 1315088153 /nfs/dbraw/zinc/08/81/53/1315088153.db2.gz URBJIPFLDSNXME-UHFFFAOYSA-N -1 3 344.327 2.215 20 5 EEBDHM CCCc1nnc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])o1 ZINC001604248047 1350902096 /nfs/dbraw/zinc/90/20/96/1350902096.db2.gz PTXBGBCLUPDBTH-UHFFFAOYSA-N -1 3 347.360 2.403 20 5 EEBDHM CCCc1nnc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])o1 ZINC001604248047 1350902099 /nfs/dbraw/zinc/90/20/99/1350902099.db2.gz PTXBGBCLUPDBTH-UHFFFAOYSA-N -1 3 347.360 2.403 20 5 EEBDHM C[C@@H](c1ccccn1)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609141676 1351858378 /nfs/dbraw/zinc/85/83/78/1351858378.db2.gz XHYXKCVVFKGLKN-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@@H](c1ccccn1)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609141676 1351858385 /nfs/dbraw/zinc/85/83/85/1351858385.db2.gz XHYXKCVVFKGLKN-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM CCOC(=O)CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609232408 1351903424 /nfs/dbraw/zinc/90/34/24/1351903424.db2.gz NSLPKDDTCIZVRD-SNVBAGLBSA-N -1 3 348.363 2.227 20 5 EEBDHM CCOC(=O)CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609232408 1351903427 /nfs/dbraw/zinc/90/34/27/1351903427.db2.gz NSLPKDDTCIZVRD-SNVBAGLBSA-N -1 3 348.363 2.227 20 5 EEBDHM CN(Cc1ccc(O)cc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609278948 1351919977 /nfs/dbraw/zinc/91/99/77/1351919977.db2.gz CTBPTSYPANPJPC-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM CN(Cc1ccc(O)cc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609278948 1351919978 /nfs/dbraw/zinc/91/99/78/1351919978.db2.gz CTBPTSYPANPJPC-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1COc1ccccc1-c1nnn[n-]1 ZINC001609348806 1351941569 /nfs/dbraw/zinc/94/15/69/1351941569.db2.gz LGGNASDLRABEAV-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1COc1ccccc1-c1nn[n-]n1 ZINC001609348806 1351941571 /nfs/dbraw/zinc/94/15/71/1351941571.db2.gz LGGNASDLRABEAV-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM NC(=O)c1cccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001609505198 1352000906 /nfs/dbraw/zinc/00/09/06/1352000906.db2.gz RBYHSWSTANPJRD-UHFFFAOYSA-N -1 3 342.340 2.025 20 5 EEBDHM NC(=O)c1cccc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001609505198 1352000911 /nfs/dbraw/zinc/00/09/11/1352000911.db2.gz RBYHSWSTANPJRD-UHFFFAOYSA-N -1 3 342.340 2.025 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001609602371 1352032114 /nfs/dbraw/zinc/03/21/14/1352032114.db2.gz LHXMGGBQLOTIPR-UHFFFAOYSA-N -1 3 328.357 2.352 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cscc1-c1nnn[n-]1 ZINC001580049312 1344459280 /nfs/dbraw/zinc/45/92/80/1344459280.db2.gz JKNXIKPCOMOCPB-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cscc1-c1nn[n-]n1 ZINC001580049312 1344459283 /nfs/dbraw/zinc/45/92/83/1344459283.db2.gz JKNXIKPCOMOCPB-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590960489 1349422909 /nfs/dbraw/zinc/42/29/09/1349422909.db2.gz LCWNYCGJRFCJGY-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590960489 1349422914 /nfs/dbraw/zinc/42/29/14/1349422914.db2.gz LCWNYCGJRFCJGY-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM CN(C)c1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591035105 1349434110 /nfs/dbraw/zinc/43/41/10/1349434110.db2.gz SPVMRDGAJROGAK-UHFFFAOYSA-N -1 3 339.359 2.453 20 5 EEBDHM CN(C)c1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591035105 1349434112 /nfs/dbraw/zinc/43/41/12/1349434112.db2.gz SPVMRDGAJROGAK-UHFFFAOYSA-N -1 3 339.359 2.453 20 5 EEBDHM CO[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1(C)C ZINC001591358555 1349471466 /nfs/dbraw/zinc/47/14/66/1349471466.db2.gz QTFFWHBXSYFDDA-ZDUSSCGKSA-N -1 3 332.364 2.026 20 5 EEBDHM CO[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1(C)C ZINC001591358555 1349471468 /nfs/dbraw/zinc/47/14/68/1349471468.db2.gz QTFFWHBXSYFDDA-ZDUSSCGKSA-N -1 3 332.364 2.026 20 5 EEBDHM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592034448 1349586050 /nfs/dbraw/zinc/58/60/50/1349586050.db2.gz PIMMZSUUUGNUFA-QWRGUYRKSA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592034448 1349586054 /nfs/dbraw/zinc/58/60/54/1349586054.db2.gz PIMMZSUUUGNUFA-QWRGUYRKSA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592034447 1349586625 /nfs/dbraw/zinc/58/66/25/1349586625.db2.gz PIMMZSUUUGNUFA-MNOVXSKESA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592034447 1349586629 /nfs/dbraw/zinc/58/66/29/1349586629.db2.gz PIMMZSUUUGNUFA-MNOVXSKESA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(NC[C@]2(O)CCC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042703 1349586989 /nfs/dbraw/zinc/58/69/89/1349586989.db2.gz MKRYNUDYDUIQGH-MEBBXXQBSA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1cc(NC[C@]2(O)CCC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042703 1349586992 /nfs/dbraw/zinc/58/69/92/1349586992.db2.gz MKRYNUDYDUIQGH-MEBBXXQBSA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001592197685 1349605020 /nfs/dbraw/zinc/60/50/20/1349605020.db2.gz PSWKZBKWTNMOIL-UHFFFAOYSA-N -1 3 340.299 2.006 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001592197685 1349605023 /nfs/dbraw/zinc/60/50/23/1349605023.db2.gz PSWKZBKWTNMOIL-UHFFFAOYSA-N -1 3 340.299 2.006 20 5 EEBDHM Cc1cnccc1CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592300924 1349618353 /nfs/dbraw/zinc/61/83/53/1349618353.db2.gz PKCJUGGRWBBBDY-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM Cc1cnccc1CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592300924 1349618357 /nfs/dbraw/zinc/61/83/57/1349618357.db2.gz PKCJUGGRWBBBDY-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCc2cccnc21 ZINC001593470778 1349805881 /nfs/dbraw/zinc/80/58/81/1349805881.db2.gz LGBYQEWVLKWYRJ-GFCCVEGCSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCc2cccnc21 ZINC001593470778 1349805885 /nfs/dbraw/zinc/80/58/85/1349805885.db2.gz LGBYQEWVLKWYRJ-GFCCVEGCSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC=C(c2cccnc2)C1 ZINC001593474389 1349808468 /nfs/dbraw/zinc/80/84/68/1349808468.db2.gz HFWMBYIZSADLOP-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC=C(c2cccnc2)C1 ZINC001593474389 1349808472 /nfs/dbraw/zinc/80/84/72/1349808472.db2.gz HFWMBYIZSADLOP-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1csc(-c3nnn[n-]3)c1)C2 ZINC001593479644 1349812044 /nfs/dbraw/zinc/81/20/44/1349812044.db2.gz OVKHVLRSRCPWOL-UHFFFAOYSA-N -1 3 328.357 2.352 20 5 EEBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC001604111325 1350861383 /nfs/dbraw/zinc/86/13/83/1350861383.db2.gz CANDRZSDTRXJAS-VXGBXAGGSA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC001604111325 1350861385 /nfs/dbraw/zinc/86/13/85/1350861385.db2.gz CANDRZSDTRXJAS-VXGBXAGGSA-N -1 3 332.364 2.169 20 5 EEBDHM CO[C@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001605023427 1351057922 /nfs/dbraw/zinc/05/79/22/1351057922.db2.gz FOFHNIQGFFPCRK-OLZOCXBDSA-N -1 3 348.338 2.284 20 5 EEBDHM CO[C@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 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O=[N+]([O-])c1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001607082561 1351410276 /nfs/dbraw/zinc/41/02/76/1351410276.db2.gz PXYRGXJWHICRGL-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001607082561 1351410279 /nfs/dbraw/zinc/41/02/79/1351410279.db2.gz PXYRGXJWHICRGL-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCC12CCOCC2 ZINC001607084627 1351411910 /nfs/dbraw/zinc/41/19/10/1351411910.db2.gz QBVBEGBSXPUDPW-LLVKDONJSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CCC12CCOCC2 ZINC001607084627 1351411912 /nfs/dbraw/zinc/41/19/12/1351411912.db2.gz QBVBEGBSXPUDPW-LLVKDONJSA-N -1 3 344.375 2.394 20 5 EEBDHM Cc1nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC001606078351 1404762701 /nfs/dbraw/zinc/76/27/01/1404762701.db2.gz FUCQNQQGFDRIKG-UHFFFAOYSA-N -1 3 333.695 2.319 20 5 EEBDHM Cc1nc(Oc2cc(Cl)ccc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC001606078351 1404762704 /nfs/dbraw/zinc/76/27/04/1404762704.db2.gz FUCQNQQGFDRIKG-UHFFFAOYSA-N -1 3 333.695 2.319 20 5 EEBDHM Cc1nsc(NCc2cccc([N+](=O)[O-])c2C)c1-c1nnn[n-]1 ZINC001606162265 1404770433 /nfs/dbraw/zinc/77/04/33/1404770433.db2.gz FWZWTIAIPFGVDU-UHFFFAOYSA-N -1 3 331.361 2.460 20 5 EEBDHM CC(C)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001125703311 761143111 /nfs/dbraw/zinc/14/31/11/761143111.db2.gz KLPBVFUWDFYKAB-UHFFFAOYSA-N -1 3 347.375 2.011 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccc(F)c1 ZINC001105316530 769693482 /nfs/dbraw/zinc/69/34/82/769693482.db2.gz HRHJPARNRNPYSG-UHFFFAOYSA-N -1 3 348.334 2.043 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(F)F ZINC001112143570 781303008 /nfs/dbraw/zinc/30/30/08/781303008.db2.gz DCVHNQUEYKZCRX-UHFFFAOYSA-N -1 3 346.334 2.025 20 5 EEBDHM O=C(NCc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)C1CC1 ZINC001063415135 790960819 /nfs/dbraw/zinc/96/08/19/790960819.db2.gz XNFITUZWEDEZIG-UHFFFAOYSA-N -1 3 342.355 2.334 20 5 EEBDHM CC(C)C1(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001109610468 805746221 /nfs/dbraw/zinc/74/62/21/805746221.db2.gz FETAYYXXDYSBMW-UHFFFAOYSA-N -1 3 336.392 2.392 20 5 EEBDHM CC(C)(C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001107475447 787319346 /nfs/dbraw/zinc/31/93/46/787319346.db2.gz JZQCLBLIZDELSX-ARJAWSKDSA-N -1 3 334.376 2.216 20 5 EEBDHM CN(CC1CCN(C(=O)CC2CC2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001062200925 787587678 /nfs/dbraw/zinc/58/76/78/787587678.db2.gz YLEGFSJIYNLBAH-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM C[C@H]1C[C@H](CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824883254 788350872 /nfs/dbraw/zinc/35/08/72/788350872.db2.gz FWIXKXOXSNFSBM-WDEREUQCSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@H]1C[C@H](CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824883254 788350880 /nfs/dbraw/zinc/35/08/80/788350880.db2.gz FWIXKXOXSNFSBM-WDEREUQCSA-N -1 3 332.364 2.392 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccoc1C1CC1 ZINC001094073332 795914255 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EEBDHM O=[N+]([O-])c1ccc(CSc2nc3nncc-3c(O)[n-]2)c([N+](=O)[O-])c1 ZINC000789590708 808076949 /nfs/dbraw/zinc/07/69/49/808076949.db2.gz VQJXWFKAWNUOJO-UHFFFAOYSA-N -1 3 348.300 2.167 20 5 EEBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCC1 ZINC001113392893 808880410 /nfs/dbraw/zinc/88/04/10/808880410.db2.gz ANEITIIVYBNMDR-UHFFFAOYSA-N -1 3 336.392 2.392 20 5 EEBDHM O=C([O-])[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901709036 980459759 /nfs/dbraw/zinc/45/97/59/980459759.db2.gz GPUQUAQRFICWKC-IZLXSQMJSA-N -1 3 335.179 2.372 20 5 EEBDHM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000901984521 980665612 /nfs/dbraw/zinc/66/56/12/980665612.db2.gz LVLNCZCUNMZKGX-UHFFFAOYSA-N -1 3 328.752 2.314 20 5 EEBDHM COC[C@]1(C(=O)[O-])CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001599191947 997137807 /nfs/dbraw/zinc/13/78/07/997137807.db2.gz ZYTMJFRAMDPQFI-HNNXBMFYSA-N -1 3 326.324 2.190 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(F)c1 ZINC000055241768 214293451 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313239707 /nfs/dbraw/zinc/23/97/07/313239707.db2.gz IKZSVRBQIXPHFG-UHFFFAOYSA-N -1 3 342.417 2.388 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC000416513865 313243598 /nfs/dbraw/zinc/24/35/98/313243598.db2.gz YFVBGDPMOXCBAH-HNNXBMFYSA-N -1 3 340.401 2.460 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000416525439 313246724 /nfs/dbraw/zinc/24/67/24/313246724.db2.gz AIXIRRYTBBOSGZ-NWDGAFQWSA-N -1 3 328.390 2.057 20 5 EEBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000416529054 313247355 /nfs/dbraw/zinc/24/73/55/313247355.db2.gz YFLXGVQRXYHBFX-UHFFFAOYSA-N -1 3 346.405 2.087 20 5 EEBDHM CN(C)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000436737344 314993655 /nfs/dbraw/zinc/99/36/55/314993655.db2.gz QDAKXKDZERPRJJ-AWEZNQCLSA-N -1 3 347.346 2.472 20 5 EEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000440420991 315130133 /nfs/dbraw/zinc/13/01/33/315130133.db2.gz 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)cc1C ZINC000134054478 462998833 /nfs/dbraw/zinc/99/88/33/462998833.db2.gz IMOBKAVYIDJASO-CHWSQXEVSA-N -1 3 342.417 2.041 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000072718919 463538898 /nfs/dbraw/zinc/53/88/98/463538898.db2.gz USUQLABBFZNROF-ZDUSSCGKSA-N -1 3 342.417 2.387 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(Cl)c1 ZINC000180762337 464388560 /nfs/dbraw/zinc/38/85/60/464388560.db2.gz OZCMXCGJQDMDDX-LLVKDONJSA-N -1 3 348.808 2.486 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337435425 465368101 /nfs/dbraw/zinc/36/81/01/465368101.db2.gz HLVCBCPDBPAQHF-UHFFFAOYSA-N -1 3 329.291 2.277 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337435425 465368104 /nfs/dbraw/zinc/36/81/04/465368104.db2.gz HLVCBCPDBPAQHF-UHFFFAOYSA-N -1 3 329.291 2.277 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337435425 465368106 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/nfs/dbraw/zinc/59/27/19/606592719.db2.gz HPTGVIUFMQYBIX-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1cccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000822303745 606592721 /nfs/dbraw/zinc/59/27/21/606592721.db2.gz HPTGVIUFMQYBIX-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822226418 606972349 /nfs/dbraw/zinc/97/23/49/606972349.db2.gz RHPKBQYTTHRMJU-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822226418 606972350 /nfs/dbraw/zinc/97/23/50/606972350.db2.gz RHPKBQYTTHRMJU-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824198397 607819930 /nfs/dbraw/zinc/81/99/30/607819930.db2.gz BXAHFJRWDFNVIO-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824198397 607819931 /nfs/dbraw/zinc/81/99/31/607819931.db2.gz BXAHFJRWDFNVIO-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](C2CCOCC2)C1 ZINC000826497714 607851477 /nfs/dbraw/zinc/85/14/77/607851477.db2.gz RENVOTWFDMWAIU-CYBMUJFWSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C2CCOCC2)C1 ZINC000826497714 607851478 /nfs/dbraw/zinc/85/14/78/607851478.db2.gz RENVOTWFDMWAIU-CYBMUJFWSA-N -1 3 344.375 2.028 20 5 EEBDHM CO[C@@H]1[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000826144712 608587903 /nfs/dbraw/zinc/58/79/03/608587903.db2.gz PYDWGPNZQWTLBQ-ZEGGKSINSA-N -1 3 332.364 2.246 20 5 EEBDHM CO[C@@H]1[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000826144712 608587904 /nfs/dbraw/zinc/58/79/04/608587904.db2.gz PYDWGPNZQWTLBQ-ZEGGKSINSA-N -1 3 332.364 2.246 20 5 EEBDHM CCc1nn(C)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000825759636 608771505 /nfs/dbraw/zinc/77/15/05/608771505.db2.gz LQMOSLSLGQDSEY-SECBINFHSA-N -1 3 342.363 2.244 20 5 EEBDHM CCc1nn(C)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000825759636 608771506 /nfs/dbraw/zinc/77/15/06/608771506.db2.gz LQMOSLSLGQDSEY-SECBINFHSA-N -1 3 342.363 2.244 20 5 EEBDHM Cc1nc(NC/C=C/CNC(=O)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001107047351 1193006351 /nfs/dbraw/zinc/00/63/51/1193006351.db2.gz QUPOLCKMDFZVAH-SNAWJCMRSA-N -1 3 342.355 2.402 20 5 EEBDHM CCC(C)(C)CC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105479811 1188094754 /nfs/dbraw/zinc/09/47/54/1188094754.db2.gz QCYWVMCCZONREU-UHFFFAOYSA-N -1 3 338.408 2.416 20 5 EEBDHM CC1(C(=O)NCC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001095373257 1204234073 /nfs/dbraw/zinc/23/40/73/1204234073.db2.gz CTITZLALTWEOGJ-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM CC(C)=C(C)CC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095700569 1205918318 /nfs/dbraw/zinc/91/83/18/1205918318.db2.gz VCZPZOOGGCACQQ-UHFFFAOYSA-N -1 3 336.392 2.384 20 5 EEBDHM C/C(=C/C(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001114737289 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EEBDHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000490509977 468216973 /nfs/dbraw/zinc/21/69/73/468216973.db2.gz NWRIKOXJAYERSE-UHFFFAOYSA-N -1 3 330.406 2.387 20 5 EEBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592109765 468627927 /nfs/dbraw/zinc/62/79/27/468627927.db2.gz DCHYHXSLTJVKHG-XVKPBYJWSA-N -1 3 336.822 2.421 20 5 EEBDHM O=c1[n-]cnc2c1CCN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC000571007865 468725320 /nfs/dbraw/zinc/72/53/20/468725320.db2.gz VNZPYIUAHKSKOK-UHFFFAOYSA-N -1 3 341.249 2.067 20 5 EEBDHM CO[C@](C)(C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC000601416513 468865494 /nfs/dbraw/zinc/86/54/94/468865494.db2.gz XGHTWUGRTHNLJI-CQSZACIVSA-N -1 3 346.380 2.136 20 5 EEBDHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000593288577 468929115 /nfs/dbraw/zinc/92/91/15/468929115.db2.gz MYPOEGMUBZTLQJ-VIFPVBQESA-N -1 3 348.302 2.500 20 5 EEBDHM COc1ccc(OCCN2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000610897051 469107345 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Cc1c(NNC=C2C(=O)[N-]C(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000728015034 576467212 /nfs/dbraw/zinc/46/72/12/576467212.db2.gz KUBRBOWLCZVYQG-UKTHLTGXSA-N -1 3 338.323 2.131 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823651747 599034337 /nfs/dbraw/zinc/03/43/37/599034337.db2.gz ONKOLSYUNLGFFU-BXUZGUMPSA-N -1 3 337.343 2.213 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823651747 599034341 /nfs/dbraw/zinc/03/43/41/599034341.db2.gz ONKOLSYUNLGFFU-BXUZGUMPSA-N -1 3 337.343 2.213 20 5 EEBDHM Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)cccc1-c1nnn[n-]1 ZINC000822110033 607267645 /nfs/dbraw/zinc/26/76/45/607267645.db2.gz UJTQMDQNGMAACN-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)cccc1-c1nn[n-]n1 ZINC000822110033 607267646 /nfs/dbraw/zinc/26/76/46/607267646.db2.gz UJTQMDQNGMAACN-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccccc1[N+](=O)[O-] ZINC000821749715 607375759 /nfs/dbraw/zinc/37/57/59/607375759.db2.gz VLASBKDIYFBYEY-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccccc1[N+](=O)[O-] ZINC000821749715 607375761 /nfs/dbraw/zinc/37/57/61/607375761.db2.gz VLASBKDIYFBYEY-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM CCC(CC)(CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820887915 599688331 /nfs/dbraw/zinc/68/83/31/599688331.db2.gz XKLOIRFRYCFVMK-UHFFFAOYSA-N -1 3 334.380 2.376 20 5 EEBDHM CCC(CC)(CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820887915 599688332 /nfs/dbraw/zinc/68/83/32/599688332.db2.gz XKLOIRFRYCFVMK-UHFFFAOYSA-N -1 3 334.380 2.376 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000826254480 607412113 /nfs/dbraw/zinc/41/21/13/607412113.db2.gz NPBVPKCQABUQGK-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000826254480 607412115 /nfs/dbraw/zinc/41/21/15/607412115.db2.gz NPBVPKCQABUQGK-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2C)cc1-c1nnn[n-]1 ZINC000826204660 607560783 /nfs/dbraw/zinc/56/07/83/607560783.db2.gz USTACQGDRQIKHH-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2C)cc1-c1nn[n-]n1 ZINC000826204660 607560784 /nfs/dbraw/zinc/56/07/84/607560784.db2.gz USTACQGDRQIKHH-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM Cc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000822205758 606035662 /nfs/dbraw/zinc/03/56/62/606035662.db2.gz HOPIDGBNISPJBN-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000822205758 606035666 /nfs/dbraw/zinc/03/56/66/606035666.db2.gz HOPIDGBNISPJBN-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccco1 ZINC000821683537 606104066 /nfs/dbraw/zinc/10/40/66/606104066.db2.gz CZDYYQMFGGXVDD-LBPRGKRZSA-N -1 3 330.304 2.168 20 5 EEBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccco1 ZINC000821683537 606104067 /nfs/dbraw/zinc/10/40/67/606104067.db2.gz CZDYYQMFGGXVDD-LBPRGKRZSA-N -1 3 330.304 2.168 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820306703 606478529 /nfs/dbraw/zinc/47/85/29/606478529.db2.gz CKWIKBFXFRTIFY-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820306703 606478531 /nfs/dbraw/zinc/47/85/31/606478531.db2.gz CKWIKBFXFRTIFY-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM CCc1cnccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825739220 609432887 /nfs/dbraw/zinc/43/28/87/609432887.db2.gz BTAZEFUIBCCNKE-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM CCc1cnccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825739220 609432888 /nfs/dbraw/zinc/43/28/88/609432888.db2.gz BTAZEFUIBCCNKE-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000826499322 609467121 /nfs/dbraw/zinc/46/71/21/609467121.db2.gz DUSAALNDANVNHG-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000826499322 609467123 /nfs/dbraw/zinc/46/71/23/609467123.db2.gz DUSAALNDANVNHG-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM CCC1(C(=O)N(C)CCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001105528045 1188148072 /nfs/dbraw/zinc/14/80/72/1188148072.db2.gz FJPQISIIMKLAKK-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000877776383 1200092540 /nfs/dbraw/zinc/09/25/40/1200092540.db2.gz IMHSULOWPZQOPY-UHFFFAOYSA-N -1 3 345.321 2.322 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cccc2nn[n-]c21 ZINC000800206090 1202220381 /nfs/dbraw/zinc/22/03/81/1202220381.db2.gz UQNCLJFJXZETNL-UHFFFAOYSA-N -1 3 328.284 2.232 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cccc2[n-]nnc21 ZINC000800206090 1202220383 /nfs/dbraw/zinc/22/03/83/1202220383.db2.gz UQNCLJFJXZETNL-UHFFFAOYSA-N -1 3 328.284 2.232 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cccc2n[n-]nc21 ZINC000800206090 1202220384 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GKHPGGMPYCFDRW-STQMWFEESA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609410114 1351966045 /nfs/dbraw/zinc/96/60/45/1351966045.db2.gz LRMYNWZQWFRYHW-PHIMTYICSA-N -1 3 332.364 2.451 20 5 EEBDHM Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609410114 1351966047 /nfs/dbraw/zinc/96/60/47/1351966047.db2.gz LRMYNWZQWFRYHW-PHIMTYICSA-N -1 3 332.364 2.451 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001609428254 1351973098 /nfs/dbraw/zinc/97/30/98/1351973098.db2.gz QEBQWKHFSQRKNC-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001609428254 1351973100 /nfs/dbraw/zinc/97/31/00/1351973100.db2.gz QEBQWKHFSQRKNC-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1ccc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001100102724 1338027119 /nfs/dbraw/zinc/02/71/19/1338027119.db2.gz YHXLWXDSLKIISU-UHFFFAOYSA-N -1 3 344.371 2.178 20 5 EEBDHM C[C@@H]1C[C@H](C)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001580315243 1344509818 /nfs/dbraw/zinc/50/98/18/1344509818.db2.gz HXFAMEBLRNWEAU-NXEZZACHSA-N -1 3 331.380 2.230 20 5 EEBDHM C[C@@H]1C[C@H](C)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001580315243 1344509819 /nfs/dbraw/zinc/50/98/19/1344509819.db2.gz HXFAMEBLRNWEAU-NXEZZACHSA-N -1 3 331.380 2.230 20 5 EEBDHM CC1(C)CO[C@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590111954 1349159635 /nfs/dbraw/zinc/15/96/35/1349159635.db2.gz VGNRYSGSBAFHCT-SNVBAGLBSA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)CO[C@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590111954 1349159642 /nfs/dbraw/zinc/15/96/42/1349159642.db2.gz VGNRYSGSBAFHCT-SNVBAGLBSA-N -1 3 332.364 2.392 20 5 EEBDHM CCOc1cc(OCc2cc(-c3nnn[n-]3)ccn2)ccc1[N+](=O)[O-] ZINC001590829157 1349402146 /nfs/dbraw/zinc/40/21/46/1349402146.db2.gz XHIDJIXQTLBYIP-UHFFFAOYSA-N -1 3 342.315 2.148 20 5 EEBDHM CCOc1cc(OCc2cc(-c3nn[n-]n3)ccn2)ccc1[N+](=O)[O-] ZINC001590829157 1349402148 /nfs/dbraw/zinc/40/21/48/1349402148.db2.gz XHIDJIXQTLBYIP-UHFFFAOYSA-N -1 3 342.315 2.148 20 5 EEBDHM Cc1csc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592314006 1349619672 /nfs/dbraw/zinc/61/96/72/1349619672.db2.gz DDUVHBVARCAKHL-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM Cc1csc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592314006 1349619673 /nfs/dbraw/zinc/61/96/73/1349619673.db2.gz DDUVHBVARCAKHL-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC=C(c2ccncc2)C1 ZINC001593469154 1349804324 /nfs/dbraw/zinc/80/43/24/1349804324.db2.gz YMSNKJQPRJROIK-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC=C(c2ccncc2)C1 ZINC001593469154 1349804329 /nfs/dbraw/zinc/80/43/29/1349804329.db2.gz YMSNKJQPRJROIK-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H](c2nccs2)C1 ZINC001593474872 1349808906 /nfs/dbraw/zinc/80/89/06/1349808906.db2.gz LROYUQYVQSTEQP-JTQLQIEISA-N -1 3 343.372 2.225 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H](c2nccs2)C1 ZINC001593474872 1349808911 /nfs/dbraw/zinc/80/89/11/1349808911.db2.gz LROYUQYVQSTEQP-JTQLQIEISA-N -1 3 343.372 2.225 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001603065253 1350631277 /nfs/dbraw/zinc/63/12/77/1350631277.db2.gz LLXWXVRCOYOZOD-YPMHNXCESA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001603065253 1350631280 /nfs/dbraw/zinc/63/12/80/1350631280.db2.gz LLXWXVRCOYOZOD-YPMHNXCESA-N -1 3 346.391 2.008 20 5 EEBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001604111324 1350862079 /nfs/dbraw/zinc/86/20/79/1350862079.db2.gz CANDRZSDTRXJAS-TXEJJXNPSA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001604111324 1350862083 /nfs/dbraw/zinc/86/20/83/1350862083.db2.gz CANDRZSDTRXJAS-TXEJJXNPSA-N -1 3 332.364 2.169 20 5 EEBDHM 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EEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@H]2CCCO2)c1 ZINC001199818420 1285844003 /nfs/dbraw/zinc/84/40/03/1285844003.db2.gz AKPYNJQJINBTNM-GFCCVEGCSA-N -1 3 342.315 2.493 20 5 EEBDHM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216682446 1297253134 /nfs/dbraw/zinc/25/31/34/1297253134.db2.gz QRMZIHJIGVIDFQ-UHFFFAOYSA-N -1 3 339.311 2.058 20 5 EEBDHM Cc1ccc(N2CCC(Oc3nccc([O-])c3[N+](=O)[O-])CC2)nc1 ZINC001225665368 1301117685 /nfs/dbraw/zinc/11/76/85/1301117685.db2.gz YHORHRZKGMEYBF-UHFFFAOYSA-N -1 3 330.344 2.447 20 5 EEBDHM Cc1ccc(N2CCC(Oc3[n-]ccc(=O)c3[N+](=O)[O-])CC2)nc1 ZINC001225665368 1301117691 /nfs/dbraw/zinc/11/76/91/1301117691.db2.gz YHORHRZKGMEYBF-UHFFFAOYSA-N -1 3 330.344 2.447 20 5 EEBDHM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666432 1301117739 /nfs/dbraw/zinc/11/77/39/1301117739.db2.gz ISPXZRAXIILVOJ-SNVBAGLBSA-N -1 3 337.332 2.250 20 5 EEBDHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1 ZINC001226335530 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EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000162778860 463536694 /nfs/dbraw/zinc/53/66/94/463536694.db2.gz LIQRGHBOZGTKMI-GXTWGEPZSA-N -1 3 340.401 2.139 20 5 EEBDHM COCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000058509163 463605014 /nfs/dbraw/zinc/60/50/14/463605014.db2.gz FDCHLNJEMQFXDR-UHFFFAOYSA-N -1 3 336.797 2.343 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000187409481 464127138 /nfs/dbraw/zinc/12/71/38/464127138.db2.gz HNFQWWBCURXUKA-UHFFFAOYSA-N -1 3 346.380 2.457 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c1C ZINC000180776337 464392134 /nfs/dbraw/zinc/39/21/34/464392134.db2.gz RUFSIJWVZWCGFA-ZDUSSCGKSA-N -1 3 342.417 2.449 20 5 EEBDHM CCc1nnc([N-]C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 ZINC000265876704 464719280 /nfs/dbraw/zinc/71/92/80/464719280.db2.gz ASNZIPONZPIXPL-UHFFFAOYSA-N -1 3 338.345 2.278 20 5 EEBDHM O=C([N-]OC[C@@H]1CCOC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295425912 464828901 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EEBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000592082111 468615357 /nfs/dbraw/zinc/61/53/57/468615357.db2.gz FRTBWGPHESHIIQ-ZWNOBZJWSA-N -1 3 344.433 2.287 20 5 EEBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000592082110 468615524 /nfs/dbraw/zinc/61/55/24/468615524.db2.gz FRTBWGPHESHIIQ-MFKMUULPSA-N -1 3 344.433 2.287 20 5 EEBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000592082108 468615632 /nfs/dbraw/zinc/61/56/32/468615632.db2.gz FRTBWGPHESHIIQ-GWCFXTLKSA-N -1 3 344.433 2.287 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000601195401 468777465 /nfs/dbraw/zinc/77/74/65/468777465.db2.gz NDXXXOPPYWFNSC-MRVPVSSYSA-N -1 3 341.165 2.281 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C)cn1 ZINC000584814659 468940364 /nfs/dbraw/zinc/94/03/64/468940364.db2.gz PSQCJXQAXQWDLQ-UHFFFAOYSA-N -1 3 335.385 2.446 20 5 EEBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610887192 469105502 /nfs/dbraw/zinc/10/55/02/469105502.db2.gz XSWRHPSPAWQNTE-UHFFFAOYSA-N -1 3 349.324 2.045 20 5 EEBDHM C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C1CC1 ZINC000573373888 469118418 /nfs/dbraw/zinc/11/84/18/469118418.db2.gz NJVQDQKCIQFFIC-QMMMGPOBSA-N -1 3 327.768 2.166 20 5 EEBDHM CCS(=O)(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596222602 469211643 /nfs/dbraw/zinc/21/16/43/469211643.db2.gz JUHXVYLVCNNCCH-UHFFFAOYSA-N -1 3 343.386 2.163 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C ZINC000619472840 469618609 /nfs/dbraw/zinc/61/86/09/469618609.db2.gz HQLWXFYTVHWPBU-WDEREUQCSA-N -1 3 328.390 2.460 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC000738370890 578011216 /nfs/dbraw/zinc/01/12/16/578011216.db2.gz ROEGFHUUOWUCMB-JTQLQIEISA-N -1 3 326.316 2.362 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC000738370890 578011217 /nfs/dbraw/zinc/01/12/17/578011217.db2.gz ROEGFHUUOWUCMB-JTQLQIEISA-N -1 3 326.316 2.362 20 5 EEBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cncc([O-])c1 ZINC000731914457 577134082 /nfs/dbraw/zinc/13/40/82/577134082.db2.gz IXGGRSVXJJHLLQ-UHFFFAOYSA-N -1 3 342.267 2.102 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000771823684 577232738 /nfs/dbraw/zinc/23/27/38/577232738.db2.gz YNHBORLMYFKSHQ-CYBMUJFWSA-N -1 3 348.808 2.404 20 5 EEBDHM CCOc1cc(C(=O)[N-]OCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000766766673 577524520 /nfs/dbraw/zinc/52/45/20/577524520.db2.gz AMIMIYYDLUZDEI-UHFFFAOYSA-N -1 3 338.238 2.226 20 5 EEBDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768885804 577564986 /nfs/dbraw/zinc/56/49/86/577564986.db2.gz CGNAMZXZSQQOJH-NXEZZACHSA-N -1 3 334.419 2.140 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(F)n2)cc1C ZINC000747905169 577952194 /nfs/dbraw/zinc/95/21/94/577952194.db2.gz SOKJZTDMDVJTSP-UHFFFAOYSA-N -1 3 339.348 2.224 20 5 EEBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000736609200 578214715 /nfs/dbraw/zinc/21/47/15/578214715.db2.gz DQXSHAYNUJXVOY-ZIAGYGMSSA-N -1 3 346.391 2.415 20 5 EEBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000736609200 578214716 /nfs/dbraw/zinc/21/47/16/578214716.db2.gz DQXSHAYNUJXVOY-ZIAGYGMSSA-N -1 3 346.391 2.415 20 5 EEBDHM CCOC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736610205 578214899 /nfs/dbraw/zinc/21/48/99/578214899.db2.gz IFZKRMSJOLKBEA-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM CCOC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736610205 578214900 /nfs/dbraw/zinc/21/49/00/578214900.db2.gz IFZKRMSJOLKBEA-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccoc1 ZINC000826450822 607523616 /nfs/dbraw/zinc/52/36/16/607523616.db2.gz FLERUCCUPAOVST-UHFFFAOYSA-N -1 3 334.679 2.274 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccoc1 ZINC000826450822 607523617 /nfs/dbraw/zinc/52/36/17/607523617.db2.gz FLERUCCUPAOVST-UHFFFAOYSA-N -1 3 334.679 2.274 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000820926622 606042445 /nfs/dbraw/zinc/04/24/45/606042445.db2.gz UEDRJISLJDQOMQ-LBPRGKRZSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000820926622 606042450 /nfs/dbraw/zinc/04/24/50/606042450.db2.gz UEDRJISLJDQOMQ-LBPRGKRZSA-N -1 3 332.364 2.392 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823417810 607078519 /nfs/dbraw/zinc/07/85/19/607078519.db2.gz JJYNFKXDBOCUTL-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823417810 607078521 /nfs/dbraw/zinc/07/85/21/607078521.db2.gz JJYNFKXDBOCUTL-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001059152927 682716585 /nfs/dbraw/zinc/71/65/85/682716585.db2.gz CCRHYGYIFFVCRG-XYPYZODXSA-N -1 3 328.328 2.068 20 5 EEBDHM 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CC(C)(C)[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001609074533 1351831220 /nfs/dbraw/zinc/83/12/20/1351831220.db2.gz SLQFWFWAJLQHHB-ZYHUDNBSSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)(C)[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001609074533 1351831222 /nfs/dbraw/zinc/83/12/22/1351831222.db2.gz SLQFWFWAJLQHHB-ZYHUDNBSSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)[C@H]1C[C@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609091335 1351838534 /nfs/dbraw/zinc/83/85/34/1351838534.db2.gz OBNGZMXOHFZWBY-GHMZBOCLSA-N -1 3 331.332 2.110 20 5 EEBDHM CC(C)[C@H]1C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609091335 1351838538 /nfs/dbraw/zinc/83/85/38/1351838538.db2.gz OBNGZMXOHFZWBY-GHMZBOCLSA-N -1 3 331.332 2.110 20 5 EEBDHM Nc1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001609512984 1352002106 /nfs/dbraw/zinc/00/21/06/1352002106.db2.gz BZARKKIDBNPDAI-UHFFFAOYSA-N -1 3 330.279 2.075 20 5 EEBDHM Nc1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001609512984 1352002111 /nfs/dbraw/zinc/00/21/11/1352002111.db2.gz BZARKKIDBNPDAI-UHFFFAOYSA-N -1 3 330.279 2.075 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)ccc1-c1nnn[n-]1 ZINC001609601267 1352030936 /nfs/dbraw/zinc/03/09/36/1352030936.db2.gz UTPOKMYVJGBRLV-ZKYQVNSYSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2cncc(-c3nnn[n-]3)c2)c2ccncc21 ZINC001582804101 1344792915 /nfs/dbraw/zinc/79/29/15/1344792915.db2.gz IXKVQBMKINZJKC-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2cncc(-c3nn[n-]n3)c2)c2ccncc21 ZINC001582804101 1344792920 /nfs/dbraw/zinc/79/29/20/1344792920.db2.gz IXKVQBMKINZJKC-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001589500091 1348997359 /nfs/dbraw/zinc/99/73/59/1348997359.db2.gz HAFRALIMIQARNS-GWCFXTLKSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001589500091 1348997364 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CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756170 468675470 /nfs/dbraw/zinc/67/54/70/468675470.db2.gz YTJOVVTYFUFXME-JTQLQIEISA-N -1 3 335.385 2.467 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)nc1 ZINC000594870434 468713644 /nfs/dbraw/zinc/71/36/44/468713644.db2.gz CBOPPRHEKPWBCL-ZIAGYGMSSA-N -1 3 333.369 2.214 20 5 EEBDHM CCSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000595348712 468820673 /nfs/dbraw/zinc/82/06/73/468820673.db2.gz NXFNGBQMDUEQMN-UHFFFAOYSA-N -1 3 334.394 2.298 20 5 EEBDHM COc1ccc(OCCN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000573000463 469039117 /nfs/dbraw/zinc/03/91/17/469039117.db2.gz DEZNQFPPLJYVHK-YPMHNXCESA-N -1 3 338.360 2.025 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000610785298 469072038 /nfs/dbraw/zinc/07/20/38/469072038.db2.gz GVXMAUXKBJFTLK-MRVPVSSYSA-N -1 3 336.316 2.070 20 5 EEBDHM C[C@@H]1CN(c2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000596081531 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332.364 2.392 20 5 EEBDHM CCC(=O)N1CCC(N(CC2CC2)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001064493985 793275988 /nfs/dbraw/zinc/27/59/88/793275988.db2.gz YIYXDMLBERSHAY-UHFFFAOYSA-N -1 3 348.403 2.313 20 5 EEBDHM CCc1ccsc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093667656 795528775 /nfs/dbraw/zinc/52/87/75/795528775.db2.gz HICVWZCCPWCZIG-UHFFFAOYSA-N -1 3 336.373 2.161 20 5 EEBDHM CC(C)Cc1c[nH]c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093753521 795659092 /nfs/dbraw/zinc/65/90/92/795659092.db2.gz XJXVICBKXUHXIT-UHFFFAOYSA-N -1 3 347.375 2.064 20 5 EEBDHM O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CC1)c1ccccc1[O-] ZINC001110075612 806498697 /nfs/dbraw/zinc/49/86/97/806498697.db2.gz FWWDPYUPLANZKT-UHFFFAOYSA-N -1 3 328.328 2.070 20 5 EEBDHM O=C(NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cocn1 ZINC001094932219 797045354 /nfs/dbraw/zinc/04/53/54/797045354.db2.gz CBBSCHUODCEBJF-UHFFFAOYSA-N -1 3 349.347 2.086 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[n-]1 ZINC000793960223 810603715 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342.417 2.448 20 5 EEBDHM CCc1onc(C)c1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000089394710 292209083 /nfs/dbraw/zinc/20/90/83/292209083.db2.gz TTXIBWZPPASGOE-UHFFFAOYSA-N -1 3 342.315 2.287 20 5 EEBDHM COCCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000352980676 162372465 /nfs/dbraw/zinc/37/24/65/162372465.db2.gz ILMQOYDCYPGFDJ-UHFFFAOYSA-N -1 3 330.406 2.305 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000359661180 164147317 /nfs/dbraw/zinc/14/73/17/164147317.db2.gz MOEPMBMZVKHZLQ-UHFFFAOYSA-N -1 3 329.359 2.175 20 5 EEBDHM CN(C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000272653269 269004164 /nfs/dbraw/zinc/00/41/64/269004164.db2.gz ZTTMFFUYRYPZNP-AWEZNQCLSA-N -1 3 335.385 2.395 20 5 EEBDHM COc1cc(CNCC(F)(F)Br)c([N+](=O)[O-])cc1[O-] ZINC000290060286 275175344 /nfs/dbraw/zinc/17/53/44/275175344.db2.gz HDRJDPRCIXYAKE-UHFFFAOYSA-N -1 3 341.108 2.386 20 5 EEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000291973142 275359536 /nfs/dbraw/zinc/35/95/36/275359536.db2.gz QWQGBLRJQQCVNV-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(OC)ncnc1OC ZINC000281480752 292761014 /nfs/dbraw/zinc/76/10/14/292761014.db2.gz UQQQBGQMXFEDJG-UHFFFAOYSA-N -1 3 348.315 2.053 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)c1C ZINC000271203678 301860217 /nfs/dbraw/zinc/86/02/17/301860217.db2.gz BWJLXBOLYXKBRZ-CMPLNLGQSA-N -1 3 328.390 2.057 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000123452854 302047116 /nfs/dbraw/zinc/04/71/16/302047116.db2.gz GBGONMYQDCMSNF-UHFFFAOYSA-N -1 3 342.417 2.267 20 5 EEBDHM COc1cc(-c2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)ccc1[O-] ZINC000350574219 312331709 /nfs/dbraw/zinc/33/17/09/312331709.db2.gz GNQWUTGHWGYHNP-UHFFFAOYSA-N -1 3 331.288 2.068 20 5 EEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000416589384 313267097 /nfs/dbraw/zinc/26/70/97/313267097.db2.gz BDOCWTANDACYLN-UTLUCORTSA-N -1 3 348.808 2.340 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2csnn2)c1[N+](=O)[O-] ZINC000416623794 313277724 /nfs/dbraw/zinc/27/77/24/313277724.db2.gz AAABHVPHOQFKCY-SECBINFHSA-N -1 3 342.402 2.103 20 5 EEBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000416641437 313283369 /nfs/dbraw/zinc/28/33/69/313283369.db2.gz DMDZNQOPEDNGRO-CYBMUJFWSA-N -1 3 330.406 2.075 20 5 EEBDHM COc1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1[O-] ZINC000444634947 315313168 /nfs/dbraw/zinc/31/31/68/315313168.db2.gz IZIIVPZIAYCGNO-UHFFFAOYSA-N -1 3 342.311 2.115 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(O)CCCCC2)c1[N+](=O)[O-] ZINC000189990704 533704681 /nfs/dbraw/zinc/70/46/81/533704681.db2.gz NXUDHQUXJMPGDZ-UHFFFAOYSA-N -1 3 342.417 2.185 20 5 EEBDHM COc1ccc(S(=O)(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000535053500 468294030 /nfs/dbraw/zinc/29/40/30/468294030.db2.gz HIHQRGSGLUPEAB-UHFFFAOYSA-N -1 3 342.304 2.249 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2cnccn2)c1[N+](=O)[O-] ZINC000590760967 468330565 /nfs/dbraw/zinc/33/05/65/468330565.db2.gz NGGIOOVPPXUALU-LLVKDONJSA-N -1 3 336.373 2.041 20 5 EEBDHM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000020495243 463027665 /nfs/dbraw/zinc/02/76/65/463027665.db2.gz PYEYWMCSQGZQRZ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000020495243 463027672 /nfs/dbraw/zinc/02/76/72/463027672.db2.gz PYEYWMCSQGZQRZ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM Cc1cncc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000120838822 463043928 /nfs/dbraw/zinc/04/39/28/463043928.db2.gz CKKANNOKNNTOME-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000095986252 463129058 /nfs/dbraw/zinc/12/90/58/463129058.db2.gz ANUBPTSYANUJMH-UHFFFAOYSA-N -1 3 345.764 2.332 20 5 EEBDHM Cc1ccc(C(N)=O)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000069476173 463254539 /nfs/dbraw/zinc/25/45/39/463254539.db2.gz GMXKWUWXAQGQMK-UHFFFAOYSA-N -1 3 339.311 2.131 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000029938133 463280977 /nfs/dbraw/zinc/28/09/77/463280977.db2.gz YPLMZXXCOWUMPY-UHFFFAOYSA-N -1 3 327.749 2.122 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000152274440 463670275 /nfs/dbraw/zinc/67/02/75/463670275.db2.gz KVZKYWBWVKYOIH-SECBINFHSA-N -1 3 336.822 2.422 20 5 EEBDHM CC(C)(C)n1ncnc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000283157026 463784466 /nfs/dbraw/zinc/78/44/66/463784466.db2.gz XWWVDZARSCRQOZ-UHFFFAOYSA-N -1 3 334.292 2.102 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(C)C)C(C)(C)O)cc1C ZINC000277140474 463887127 /nfs/dbraw/zinc/88/71/27/463887127.db2.gz XKLTYHKLDDGVMZ-AWEZNQCLSA-N -1 3 344.433 2.285 20 5 EEBDHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000579603797 468384682 /nfs/dbraw/zinc/38/46/82/468384682.db2.gz NQMGMUKBQOHADC-ZDUSSCGKSA-N -1 3 348.277 2.313 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCSCC2)cc1C ZINC000195139542 464002089 /nfs/dbraw/zinc/00/20/89/464002089.db2.gz HSMDUNDOYPAFIP-UHFFFAOYSA-N -1 3 330.431 2.386 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000279650896 464119824 /nfs/dbraw/zinc/11/98/24/464119824.db2.gz BSBTZQIANJWDLZ-LLVKDONJSA-N -1 3 330.431 2.243 20 5 EEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292331174 464198877 /nfs/dbraw/zinc/19/88/77/464198877.db2.gz OLCPMBZVQPNAEG-CQSZACIVSA-N -1 3 342.417 2.060 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCCO1 ZINC000272013717 464446825 /nfs/dbraw/zinc/44/68/25/464446825.db2.gz GNXTXJVJXHHUPJ-WCQYABFASA-N -1 3 328.390 2.139 20 5 EEBDHM CC(C)(C)OC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272163230 464502110 /nfs/dbraw/zinc/50/21/10/464502110.db2.gz FLEIYHHUTDNEPN-UHFFFAOYSA-N -1 3 330.287 2.145 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCSCC2)c1[N+](=O)[O-] ZINC000189927013 464564980 /nfs/dbraw/zinc/56/49/80/464564980.db2.gz YMZOFZLITCSVHB-UHFFFAOYSA-N -1 3 330.431 2.386 20 5 EEBDHM COc1ccc(OCCN2C[C@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000579836405 468421251 /nfs/dbraw/zinc/42/12/51/468421251.db2.gz KFKCNOYZMITMTH-NWDGAFQWSA-N -1 3 338.360 2.167 20 5 EEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1C ZINC000192132019 464872019 /nfs/dbraw/zinc/87/20/19/464872019.db2.gz DQLQGNXABAQTFM-UHFFFAOYSA-N -1 3 344.286 2.390 20 5 EEBDHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1(C)C ZINC000342993250 465438082 /nfs/dbraw/zinc/43/80/82/465438082.db2.gz KYDJOSWTFIVMHR-LEWSCRJBSA-N -1 3 342.417 2.241 20 5 EEBDHM Cc1nc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nn1C ZINC000344547399 465665382 /nfs/dbraw/zinc/66/53/82/465665382.db2.gz VDXYCSBPGMQRQY-UHFFFAOYSA-N -1 3 344.356 2.408 20 5 EEBDHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166167 465953595 /nfs/dbraw/zinc/95/35/95/465953595.db2.gz FEQSDRUJUJQTPH-OBJOEFQTSA-N -1 3 333.388 2.103 20 5 EEBDHM CC[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000361495930 466046063 /nfs/dbraw/zinc/04/60/63/466046063.db2.gz RHPLKGUQMJRKPR-GFCCVEGCSA-N -1 3 345.359 2.038 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000372892662 466630603 /nfs/dbraw/zinc/63/06/03/466630603.db2.gz RTILNQVWPJFGEM-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000372892662 466630605 /nfs/dbraw/zinc/63/06/05/466630605.db2.gz RTILNQVWPJFGEM-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000436733153 467552563 /nfs/dbraw/zinc/55/25/63/467552563.db2.gz GBWYMPOTUFSMSK-AWEZNQCLSA-N -1 3 347.346 2.472 20 5 EEBDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000487098225 468022557 /nfs/dbraw/zinc/02/25/57/468022557.db2.gz IZZXEQRAZLBOFO-JTQLQIEISA-N -1 3 339.348 2.038 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000595384141 468834691 /nfs/dbraw/zinc/83/46/91/468834691.db2.gz SKUHPPIZQASQIK-MRVPVSSYSA-N -1 3 344.780 2.021 20 5 EEBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601387571 468853833 /nfs/dbraw/zinc/85/38/33/468853833.db2.gz YXBFNURNWWFIBD-GXFFZTMASA-N -1 3 346.380 2.136 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COCC2CC2)c(F)cc1[N+](=O)[O-] ZINC000601455508 468881704 /nfs/dbraw/zinc/88/17/04/468881704.db2.gz HIRYDJTWUKNHFO-JTQLQIEISA-N -1 3 346.380 2.136 20 5 EEBDHM C[C@H]1S[C@@H](C)C(=O)[N-]N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000601938695 469103216 /nfs/dbraw/zinc/10/32/16/469103216.db2.gz IKFSCDRIYQEGOD-NKWVEPMBSA-N -1 3 329.765 2.136 20 5 EEBDHM COc1cc(CNc2ccc3c(c2)C(=O)NCC3)c([N+](=O)[O-])cc1[O-] ZINC000610911109 469110571 /nfs/dbraw/zinc/11/05/71/469110571.db2.gz XVROSNOINJNOLN-UHFFFAOYSA-N -1 3 343.339 2.207 20 5 EEBDHM Cc1cccc(NC(=O)CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596055509 469130195 /nfs/dbraw/zinc/13/01/95/469130195.db2.gz VCNBGPNHALUAGK-UHFFFAOYSA-N -1 3 330.344 2.387 20 5 EEBDHM O=c1[n-]ccc(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000596210603 469205248 /nfs/dbraw/zinc/20/52/48/469205248.db2.gz OWMBZOQTZWVTGS-BLLLJJGKSA-N -1 3 333.319 2.413 20 5 EEBDHM COCCOCc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596242573 469219812 /nfs/dbraw/zinc/21/98/12/469219812.db2.gz XRZBIDGXJCOLOI-UHFFFAOYSA-N -1 3 333.344 2.471 20 5 EEBDHM COC(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC000610011797 469974890 /nfs/dbraw/zinc/97/48/90/469974890.db2.gz QZEOOYZKKUZFMR-UHFFFAOYSA-N -1 3 348.286 2.156 20 5 EEBDHM Cc1cc(C(N)=O)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000729317930 576628503 /nfs/dbraw/zinc/62/85/03/576628503.db2.gz WXDGMZOIDLPTOL-UHFFFAOYSA-N -1 3 339.311 2.131 20 5 EEBDHM COc1ncnc(OC)c1C(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000730088906 576713071 /nfs/dbraw/zinc/71/30/71/576713071.db2.gz LDKBUZQPMRPYME-UHFFFAOYSA-N -1 3 338.707 2.308 20 5 EEBDHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762270825 577698455 /nfs/dbraw/zinc/69/84/55/577698455.db2.gz VQMZLAJUHQQTHM-UHFFFAOYSA-N -1 3 326.268 2.087 20 5 EEBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756363165 577842673 /nfs/dbraw/zinc/84/26/73/577842673.db2.gz UPEGNOMHZBMCNY-UHFFFAOYSA-N -1 3 343.748 2.458 20 5 EEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1nnc2ccccc2c1[O-] ZINC000742133304 578127759 /nfs/dbraw/zinc/12/77/59/578127759.db2.gz RVTIIQYXRKXBJV-UHFFFAOYSA-N -1 3 338.323 2.216 20 5 EEBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(C)C ZINC000736615921 578213915 /nfs/dbraw/zinc/21/39/15/578213915.db2.gz ZLGHTQIIPVZIMD-KBPBESRZSA-N -1 3 346.391 2.415 20 5 EEBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC000736615921 578213916 /nfs/dbraw/zinc/21/39/16/578213916.db2.gz ZLGHTQIIPVZIMD-KBPBESRZSA-N -1 3 346.391 2.415 20 5 EEBDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000821736188 607369655 /nfs/dbraw/zinc/36/96/55/607369655.db2.gz FUCAEVJBUYASMM-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000821736188 607369656 /nfs/dbraw/zinc/36/96/56/607369656.db2.gz FUCAEVJBUYASMM-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000821613671 607382241 /nfs/dbraw/zinc/38/22/41/607382241.db2.gz XUZUNPIVHCSTDK-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000821613671 607382242 /nfs/dbraw/zinc/38/22/42/607382242.db2.gz XUZUNPIVHCSTDK-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822271022 599620674 /nfs/dbraw/zinc/62/06/74/599620674.db2.gz IVNUINUEAAGPIO-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822271022 599620675 /nfs/dbraw/zinc/62/06/75/599620675.db2.gz IVNUINUEAAGPIO-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM CCO[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821350910 606038239 /nfs/dbraw/zinc/03/82/39/606038239.db2.gz GMCPMSRTZCBGAT-GFCCVEGCSA-N -1 3 335.368 2.033 20 5 EEBDHM CCO[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821350910 606038242 /nfs/dbraw/zinc/03/82/42/606038242.db2.gz GMCPMSRTZCBGAT-GFCCVEGCSA-N -1 3 335.368 2.033 20 5 EEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1csc([N+](=O)[O-])c1 ZINC000823112009 606145852 /nfs/dbraw/zinc/14/58/52/606145852.db2.gz QJVZGKIGZYQRJO-UHFFFAOYSA-N -1 3 345.340 2.122 20 5 EEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1csc([N+](=O)[O-])c1 ZINC000823112009 606145854 /nfs/dbraw/zinc/14/58/54/606145854.db2.gz QJVZGKIGZYQRJO-UHFFFAOYSA-N -1 3 345.340 2.122 20 5 EEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sccc1-c1nnn[n-]1 ZINC000822983540 606664894 /nfs/dbraw/zinc/66/48/94/606664894.db2.gz QAYCKGAHAPHUKE-UHFFFAOYSA-N -1 3 344.356 2.408 20 5 EEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sccc1-c1nn[n-]n1 ZINC000822983540 606664895 /nfs/dbraw/zinc/66/48/95/606664895.db2.gz QAYCKGAHAPHUKE-UHFFFAOYSA-N -1 3 344.356 2.408 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000823639830 606728088 /nfs/dbraw/zinc/72/80/88/606728088.db2.gz HZUWVROCJDQSJJ-ZKYQVNSYSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000823639830 606728091 /nfs/dbraw/zinc/72/80/91/606728091.db2.gz HZUWVROCJDQSJJ-ZKYQVNSYSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000823647465 607171902 /nfs/dbraw/zinc/17/19/02/607171902.db2.gz KDLUQGQIPKEBTC-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000823647465 607171903 /nfs/dbraw/zinc/17/19/03/607171903.db2.gz KDLUQGQIPKEBTC-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM CC(C)c1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[nH]1 ZINC000824358190 608099240 /nfs/dbraw/zinc/09/92/40/608099240.db2.gz BINCCOCILXVNAP-MRVPVSSYSA-N -1 3 343.351 2.190 20 5 EEBDHM CC(C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824216655 608243079 /nfs/dbraw/zinc/24/30/79/608243079.db2.gz USDCLALKUNNALP-IINYFYTJSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824216655 608243080 /nfs/dbraw/zinc/24/30/80/608243080.db2.gz USDCLALKUNNALP-IINYFYTJSA-N -1 3 332.364 2.390 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2cccc(F)c2C1 ZINC000826497636 608446915 /nfs/dbraw/zinc/44/69/15/608446915.db2.gz OASZUGICAXQSOL-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2cccc(F)c2C1 ZINC000826497636 608446916 /nfs/dbraw/zinc/44/69/16/608446916.db2.gz OASZUGICAXQSOL-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000125574382 693023766 /nfs/dbraw/zinc/02/37/66/693023766.db2.gz VCKCCZGHRRTQDW-UHFFFAOYSA-N -1 3 348.384 2.174 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000011078242 1205742605 /nfs/dbraw/zinc/74/26/05/1205742605.db2.gz XDHIOJJIJVHFSV-UHFFFAOYSA-N -1 3 346.295 2.105 20 5 EEBDHM O=C(CC1CC1)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001056501811 1239414953 /nfs/dbraw/zinc/41/49/53/1239414953.db2.gz PWUONSQHEGFSSC-UHFFFAOYSA-N -1 3 346.387 2.335 20 5 EEBDHM O=C(CCC1CCC1)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057116565 1241841060 /nfs/dbraw/zinc/84/10/60/1241841060.db2.gz LZQGMKIDNKEKAP-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM CC[C@H]1OC(=O)C(Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)=C1C ZINC001228242906 1302170231 /nfs/dbraw/zinc/17/02/31/1302170231.db2.gz SCEOWOYKEPZQCK-LLVKDONJSA-N -1 3 331.284 2.232 20 5 EEBDHM O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CCC1)c1ccccc1[O-] ZINC001111764440 1303855362 /nfs/dbraw/zinc/85/53/62/1303855362.db2.gz NCDDAYOYVAXOMP-UHFFFAOYSA-N -1 3 342.355 2.460 20 5 EEBDHM CN1CC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743590 1305017598 /nfs/dbraw/zinc/01/75/98/1305017598.db2.gz DTVRIELJEWGXEU-GFCCVEGCSA-N -1 3 327.336 2.440 20 5 EEBDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])nc1C ZINC001605856515 1351238177 /nfs/dbraw/zinc/23/81/77/1351238177.db2.gz OZZBOWBQWRIOIS-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])nc1C ZINC001605856515 1351238179 /nfs/dbraw/zinc/23/81/79/1351238179.db2.gz OZZBOWBQWRIOIS-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001309166193 1331620265 /nfs/dbraw/zinc/62/02/65/1331620265.db2.gz LBVXOZYWSKEHQZ-RYUDHWBXSA-N -1 3 327.406 2.483 20 5 EEBDHM O=C([O-])c1cccc2c1CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001608941998 1351799720 /nfs/dbraw/zinc/79/97/20/1351799720.db2.gz DWPTZBUWNHQYDQ-QGZVFWFLSA-N -1 3 342.351 2.385 20 5 EEBDHM CCn1nc(C)c(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1C ZINC001609259947 1351914282 /nfs/dbraw/zinc/91/42/82/1351914282.db2.gz ZPRJXPQIWIPKGI-UHFFFAOYSA-N -1 3 328.336 2.352 20 5 EEBDHM COc1cc(OC(=O)c2csc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001609347086 1351940996 /nfs/dbraw/zinc/94/09/96/1351940996.db2.gz FWRXWHOMJJRTME-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1cc(OC(=O)c2csc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001609347086 1351940997 /nfs/dbraw/zinc/94/09/97/1351940997.db2.gz FWRXWHOMJJRTME-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001609351141 1351942507 /nfs/dbraw/zinc/94/25/07/1351942507.db2.gz JNZMVTFUYLPNAQ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001609351141 1351942509 /nfs/dbraw/zinc/94/25/09/1351942509.db2.gz JNZMVTFUYLPNAQ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM Cc1cc(N(C)CCc2ccncc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404382 1351963777 /nfs/dbraw/zinc/96/37/77/1351963777.db2.gz USKJRVBFBAGYNJ-UHFFFAOYSA-N -1 3 339.359 2.157 20 5 EEBDHM Cc1cc(N(C)CCc2ccncc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404382 1351963780 /nfs/dbraw/zinc/96/37/80/1351963780.db2.gz USKJRVBFBAGYNJ-UHFFFAOYSA-N -1 3 339.359 2.157 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)ccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001609561644 1352016100 /nfs/dbraw/zinc/01/61/00/1352016100.db2.gz RUCDGOUAPKLFGR-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)ccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001609561644 1352016104 /nfs/dbraw/zinc/01/61/04/1352016104.db2.gz RUCDGOUAPKLFGR-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC001609575294 1352022301 /nfs/dbraw/zinc/02/23/01/1352022301.db2.gz DVYZFZKLUOUQKV-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC001609575294 1352022304 /nfs/dbraw/zinc/02/23/04/1352022304.db2.gz DVYZFZKLUOUQKV-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC001582804063 1344793322 /nfs/dbraw/zinc/79/33/22/1344793322.db2.gz HPTZXUAITIOZHJ-UHFFFAOYSA-N -1 3 342.344 2.325 20 5 EEBDHM CC(C)(C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)F ZINC001589061983 1348956582 /nfs/dbraw/zinc/95/65/82/1348956582.db2.gz PVDMUQLJRMFARE-UHFFFAOYSA-N -1 3 341.274 2.109 20 5 EEBDHM CC(C)(C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)F ZINC001589061983 1348956584 /nfs/dbraw/zinc/95/65/84/1348956584.db2.gz PVDMUQLJRMFARE-UHFFFAOYSA-N -1 3 341.274 2.109 20 5 EEBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001590134124 1349169483 /nfs/dbraw/zinc/16/94/83/1349169483.db2.gz OJWNURZVMJDFJM-GDBMZVCRSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001590134124 1349169485 /nfs/dbraw/zinc/16/94/85/1349169485.db2.gz OJWNURZVMJDFJM-GDBMZVCRSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@@H]1CC(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001590191557 1349192487 /nfs/dbraw/zinc/19/24/87/1349192487.db2.gz WDQCVHLMZHJGSF-NXEZZACHSA-N -1 3 347.379 2.176 20 5 EEBDHM C[C@@H]1CC(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001590191557 1349192489 /nfs/dbraw/zinc/19/24/89/1349192489.db2.gz WDQCVHLMZHJGSF-NXEZZACHSA-N -1 3 347.379 2.176 20 5 EEBDHM C[C@H]1C[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590217479 1349204276 /nfs/dbraw/zinc/20/42/76/1349204276.db2.gz CEJWUOMMNOKJIU-IUCAKERBSA-N -1 3 325.332 2.391 20 5 EEBDHM C[C@H]1C[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590217479 1349204282 /nfs/dbraw/zinc/20/42/82/1349204282.db2.gz CEJWUOMMNOKJIU-IUCAKERBSA-N -1 3 325.332 2.391 20 5 EEBDHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001592018765 1349582233 /nfs/dbraw/zinc/58/22/33/1349582233.db2.gz JAJFQEZNWWBLQI-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001592018765 1349582241 /nfs/dbraw/zinc/58/22/41/1349582241.db2.gz JAJFQEZNWWBLQI-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1cccc(C(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC001592031283 1349585267 /nfs/dbraw/zinc/58/52/67/1349585267.db2.gz LGIGEWBXQWXVGR-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cccc(C(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC001592031283 1349585275 /nfs/dbraw/zinc/58/52/75/1349585275.db2.gz LGIGEWBXQWXVGR-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cc(-c2nnn[n-]2)c1 ZINC001592031747 1349585418 /nfs/dbraw/zinc/58/54/18/1349585418.db2.gz PUIAXTBUGJWAGA-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cc(-c2nn[n-]n2)c1 ZINC001592031747 1349585424 /nfs/dbraw/zinc/58/54/24/1349585424.db2.gz PUIAXTBUGJWAGA-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cn1cnc2cc(Nc3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])ccc21 ZINC001592588442 1349664041 /nfs/dbraw/zinc/66/40/41/1349664041.db2.gz TUYHWOISMRBQQZ-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM Cn1cnc2cc(Nc3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])ccc21 ZINC001592588442 1349664043 /nfs/dbraw/zinc/66/40/43/1349664043.db2.gz TUYHWOISMRBQQZ-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593296684 1349770914 /nfs/dbraw/zinc/77/09/14/1349770914.db2.gz QVLLVTHDESTNMW-IRUJWGPZSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593296684 1349770916 /nfs/dbraw/zinc/77/09/16/1349770916.db2.gz QVLLVTHDESTNMW-IRUJWGPZSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC001593302492 1349774138 /nfs/dbraw/zinc/77/41/38/1349774138.db2.gz WOWYSFKRHZGQAZ-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1csc([N+](=O)[O-])c1 ZINC001593302492 1349774141 /nfs/dbraw/zinc/77/41/41/1349774141.db2.gz WOWYSFKRHZGQAZ-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@H]1CCCCO1 ZINC001593468735 1349804636 /nfs/dbraw/zinc/80/46/36/1349804636.db2.gz OVWFSELMBIWAPP-SECBINFHSA-N -1 3 336.327 2.285 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[C@H]1CCCCO1 ZINC001593468735 1349804641 /nfs/dbraw/zinc/80/46/41/1349804641.db2.gz OVWFSELMBIWAPP-SECBINFHSA-N -1 3 336.327 2.285 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC=C(c3ccncc3)C2)ccc1-c1nnn[n-]1 ZINC001593471600 1349806631 /nfs/dbraw/zinc/80/66/31/1349806631.db2.gz ONINCPXUKDIQAA-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CC2(Cl)Cl)c(-c2nnn[n-]2)c1 ZINC001593485600 1349814752 /nfs/dbraw/zinc/81/47/52/1349814752.db2.gz VHCCSZVOAXLTBS-ZCFIWIBFSA-N -1 3 344.162 2.166 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CC2(Cl)Cl)c(-c2nn[n-]n2)c1 ZINC001593485600 1349814757 /nfs/dbraw/zinc/81/47/57/1349814757.db2.gz VHCCSZVOAXLTBS-ZCFIWIBFSA-N -1 3 344.162 2.166 20 5 EEBDHM CC(C)(C)c1coc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001603120557 1350645556 /nfs/dbraw/zinc/64/55/56/1350645556.db2.gz HBHXSLHTHXBBMR-UHFFFAOYSA-N -1 3 344.335 2.068 20 5 EEBDHM CC(C)(C)c1coc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001603120557 1350645564 /nfs/dbraw/zinc/64/55/64/1350645564.db2.gz HBHXSLHTHXBBMR-UHFFFAOYSA-N -1 3 344.335 2.068 20 5 EEBDHM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001604814091 1351013378 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325.227 2.235 20 5 EEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330617618 465734478 /nfs/dbraw/zinc/73/44/78/465734478.db2.gz WQWBNNBPEWNPHQ-SCZZXKLOSA-N -1 3 334.781 2.094 20 5 EEBDHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346239175 466018721 /nfs/dbraw/zinc/01/87/21/466018721.db2.gz OXWUVMUQCDIYAD-MKBNYLNASA-N -1 3 333.388 2.103 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)CC ZINC000313121217 466536566 /nfs/dbraw/zinc/53/65/66/466536566.db2.gz RQXHLKIMIZEENT-MNOVXSKESA-N -1 3 336.797 2.076 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000368334078 466597986 /nfs/dbraw/zinc/59/79/86/466597986.db2.gz UCVMVFWAQMWDTA-UHFFFAOYSA-N -1 3 326.374 2.214 20 5 EEBDHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1c([N+](=O)[O-])cnn1C ZINC000362168193 466599029 /nfs/dbraw/zinc/59/90/29/466599029.db2.gz QAZKKKRVIOBNOZ-UHFFFAOYSA-N -1 3 335.267 2.364 20 5 EEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 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JDTLDPAPFQRLMX-GHMZBOCLSA-N -1 3 347.824 2.009 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000619473742 469618878 /nfs/dbraw/zinc/61/88/78/469618878.db2.gz HFNPYAOWVNYQIV-SNVBAGLBSA-N -1 3 337.357 2.038 20 5 EEBDHM C[C@@H](c1ccccn1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736200251 578186890 /nfs/dbraw/zinc/18/68/90/578186890.db2.gz DHNNWXXVGJXIFB-JTQLQIEISA-N -1 3 325.332 2.367 20 5 EEBDHM C[C@@H](c1ccccn1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736200251 578186891 /nfs/dbraw/zinc/18/68/91/578186891.db2.gz DHNNWXXVGJXIFB-JTQLQIEISA-N -1 3 325.332 2.367 20 5 EEBDHM COC1CCC(N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736962683 578231383 /nfs/dbraw/zinc/23/13/83/578231383.db2.gz QKMCQQACBHRJGF-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM COC1CCC(N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736962683 578231384 /nfs/dbraw/zinc/23/13/84/578231384.db2.gz QKMCQQACBHRJGF-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM Cc1ncsc1CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737501890 578261129 /nfs/dbraw/zinc/26/11/29/578261129.db2.gz AKLSXSAXRRMHLU-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Cc1ncsc1CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737501890 578261130 /nfs/dbraw/zinc/26/11/30/578261130.db2.gz AKLSXSAXRRMHLU-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000822590104 607458139 /nfs/dbraw/zinc/45/81/39/607458139.db2.gz IJEQGZWBYJMYNZ-UHFFFAOYSA-N -1 3 339.290 2.468 20 5 EEBDHM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000822590104 607458141 /nfs/dbraw/zinc/45/81/41/607458141.db2.gz IJEQGZWBYJMYNZ-UHFFFAOYSA-N -1 3 339.290 2.468 20 5 EEBDHM O=C([O-])c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000833313261 601958118 /nfs/dbraw/zinc/95/81/18/601958118.db2.gz QTCPWQAKOCPRKR-SNVBAGLBSA-N -1 3 348.384 2.436 20 5 EEBDHM COC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccco1 ZINC000821684076 606104146 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2.101 20 5 EEBDHM O=C(C=C1CCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826399498 608163763 /nfs/dbraw/zinc/16/37/63/608163763.db2.gz XJRDKVXZZRLQGZ-UHFFFAOYSA-N -1 3 334.723 2.477 20 5 EEBDHM O=C(C=C1CCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826399498 608163764 /nfs/dbraw/zinc/16/37/64/608163764.db2.gz XJRDKVXZZRLQGZ-UHFFFAOYSA-N -1 3 334.723 2.477 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1[N+](=O)[O-] ZINC000826466423 608435487 /nfs/dbraw/zinc/43/54/87/608435487.db2.gz BYDQVQQDAWWCMF-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1[N+](=O)[O-] ZINC000826466423 608435488 /nfs/dbraw/zinc/43/54/88/608435488.db2.gz BYDQVQQDAWWCMF-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM Cc1ccnc(NCCNc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826313560 609525699 /nfs/dbraw/zinc/52/56/99/609525699.db2.gz LOIHTNZIVXOOQL-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccnc(NCCNc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826313560 609525702 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EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000738236750 598779588 /nfs/dbraw/zinc/77/95/88/598779588.db2.gz SDHGMKUAQSLUDD-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000738236750 598779589 /nfs/dbraw/zinc/77/95/89/598779589.db2.gz SDHGMKUAQSLUDD-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cc(C)c([N+](=O)[O-])cn1 ZINC000821702141 606035511 /nfs/dbraw/zinc/03/55/11/606035511.db2.gz IXUGJRQXPPDGAH-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cc(C)c([N+](=O)[O-])cn1 ZINC000821702141 606035517 /nfs/dbraw/zinc/03/55/17/606035517.db2.gz IXUGJRQXPPDGAH-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@@H]1c1cn[nH]c1 ZINC000823629797 606481936 /nfs/dbraw/zinc/48/19/36/606481936.db2.gz HHUGASMJDFITAU-GFCCVEGCSA-N -1 3 340.347 2.230 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@@H]1c1cn[nH]c1 ZINC000823629797 606481938 /nfs/dbraw/zinc/48/19/38/606481938.db2.gz HHUGASMJDFITAU-GFCCVEGCSA-N -1 3 340.347 2.230 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](CCO)c2cccs2)ccc1-c1nnn[n-]1 ZINC000823635333 606646248 /nfs/dbraw/zinc/64/62/48/606646248.db2.gz VXPBHGZGUQHZIM-NSHDSACASA-N -1 3 346.372 2.372 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823308581 606810315 /nfs/dbraw/zinc/81/03/15/606810315.db2.gz FYCLUXAKUQZGEI-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823308581 606810316 /nfs/dbraw/zinc/81/03/16/606810316.db2.gz FYCLUXAKUQZGEI-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(OCCc1ccccc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000823410442 606824433 /nfs/dbraw/zinc/82/44/33/606824433.db2.gz WDYOLYCMCNMZJM-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826497410 607821117 /nfs/dbraw/zinc/82/11/17/607821117.db2.gz GGTDOOKQTXVBPD-ZLKJLUDKSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826497410 607821118 /nfs/dbraw/zinc/82/11/18/607821118.db2.gz GGTDOOKQTXVBPD-ZLKJLUDKSA-N -1 3 342.359 2.144 20 5 EEBDHM CC(C)c1nnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[nH]1 ZINC000824358191 608099115 /nfs/dbraw/zinc/09/91/15/608099115.db2.gz BINCCOCILXVNAP-QMMMGPOBSA-N -1 3 343.351 2.190 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)n1 ZINC001059153481 682728805 /nfs/dbraw/zinc/72/88/05/682728805.db2.gz QOXXEAPPCRCKGA-HAQNSBGRSA-N -1 3 342.355 2.377 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccccc1F ZINC001059544539 686592960 /nfs/dbraw/zinc/59/29/60/686592960.db2.gz JYPPGQBWXNVAIR-AOOOYVTPSA-N -1 3 346.318 2.207 20 5 EEBDHM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001059623345 687478130 /nfs/dbraw/zinc/47/81/30/687478130.db2.gz HGWZPBNJWAOYQW-PHIMTYICSA-N -1 3 334.376 2.191 20 5 EEBDHM COc1cc([C@@H]2NC(=O)c3cccc(C)c3N2)c([N+](=O)[O-])cc1[O-] ZINC000027578285 692668840 /nfs/dbraw/zinc/66/88/40/692668840.db2.gz FZLSLACMMPGBIR-HNNXBMFYSA-N -1 3 329.312 2.472 20 5 EEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000800206402 1202220882 /nfs/dbraw/zinc/22/08/82/1202220882.db2.gz DAFISUVGEBRJOU-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000800206402 1202220883 /nfs/dbraw/zinc/22/08/83/1202220883.db2.gz DAFISUVGEBRJOU-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1cccc2n[n-]nc21 ZINC000800206402 1202220884 /nfs/dbraw/zinc/22/08/84/1202220884.db2.gz DAFISUVGEBRJOU-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM CC(=O)c1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)ccn1 ZINC001212844544 1204435834 /nfs/dbraw/zinc/43/58/34/1204435834.db2.gz ZHZWZIZJEUVWOU-UHFFFAOYSA-N -1 3 327.256 2.010 20 5 EEBDHM CCC(CC)C(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095830702 1210537213 /nfs/dbraw/zinc/53/72/13/1210537213.db2.gz YOTBXQLBVCNPAD-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM CC/C=C(\C)C(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095852531 1211503691 /nfs/dbraw/zinc/50/36/91/1211503691.db2.gz NBRGUVWGJGWWLJ-KPKJPENVSA-N -1 3 336.392 2.384 20 5 EEBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227693213 1301931191 /nfs/dbraw/zinc/93/11/91/1301931191.db2.gz OPUBSEOWUJKNPL-SECBINFHSA-N -1 3 349.347 2.254 20 5 EEBDHM Cc1[nH]ccc1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111779149 1303874229 /nfs/dbraw/zinc/87/42/29/1303874229.db2.gz PMIBEDLSBDOMRG-UHFFFAOYSA-N -1 3 345.359 2.097 20 5 EEBDHM Cc1cc(N[C@@H]2C[C@H]2C2CCOCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605740022 1351220521 /nfs/dbraw/zinc/22/05/21/1351220521.db2.gz KHFDTVOSIDEDNA-SMDDNHRTSA-N -1 3 344.375 2.310 20 5 EEBDHM Cc1cc(N[C@@H]2C[C@H]2C2CCOCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605740022 1351220522 /nfs/dbraw/zinc/22/05/22/1351220522.db2.gz KHFDTVOSIDEDNA-SMDDNHRTSA-N -1 3 344.375 2.310 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@H]2Cc2ccccc2)nc1 ZINC001309952700 1331648909 /nfs/dbraw/zinc/64/89/09/1331648909.db2.gz WFLDFFJEWQQEFU-ZIAGYGMSSA-N -1 3 347.396 2.147 20 5 EEBDHM CC1(C)CCC[C@@]1(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609145364 1351860879 /nfs/dbraw/zinc/86/08/79/1351860879.db2.gz LSISIMMUVBHRQE-OAHLLOKOSA-N -1 3 332.364 2.128 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc(C)n1 ZINC001329008664 1334566719 /nfs/dbraw/zinc/56/67/19/1334566719.db2.gz MGWFTHLUGIHLJR-UHFFFAOYSA-N -1 3 335.385 2.446 20 5 EEBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCC(C)(C)CC1 ZINC001345661700 1337455701 /nfs/dbraw/zinc/45/57/01/1337455701.db2.gz KZYAVBYMUHCONI-UHFFFAOYSA-N -1 3 332.364 2.117 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001579882089 1344425846 /nfs/dbraw/zinc/42/58/46/1344425846.db2.gz ULAHSXWHBORVQJ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001579882089 1344425847 /nfs/dbraw/zinc/42/58/47/1344425847.db2.gz ULAHSXWHBORVQJ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001581214082 1344599166 /nfs/dbraw/zinc/59/91/66/1344599166.db2.gz ZATYYBCNGLXGBC-AWEZNQCLSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001581214082 1344599170 /nfs/dbraw/zinc/59/91/70/1344599170.db2.gz ZATYYBCNGLXGBC-AWEZNQCLSA-N -1 3 340.343 2.229 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCc2ccc(O)cc2C1 ZINC001582804415 1344793223 /nfs/dbraw/zinc/79/32/23/1344793223.db2.gz SGIOPFOHHOVZIS-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCc2ccc(O)cc2C1 ZINC001582804415 1344793227 /nfs/dbraw/zinc/79/32/27/1344793227.db2.gz SGIOPFOHHOVZIS-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1ccccc1 ZINC001589983557 1349093098 /nfs/dbraw/zinc/09/30/98/1349093098.db2.gz DSUKYXJCCFWCSR-ZUZCIYMTSA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1ccccc1 ZINC001589983557 1349093106 /nfs/dbraw/zinc/09/31/06/1349093106.db2.gz DSUKYXJCCFWCSR-ZUZCIYMTSA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590313785 1349259797 /nfs/dbraw/zinc/25/97/97/1349259797.db2.gz RFSYIQWBHIYSDR-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590313785 1349259806 /nfs/dbraw/zinc/25/98/06/1349259806.db2.gz RFSYIQWBHIYSDR-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001590315526 1349261983 /nfs/dbraw/zinc/26/19/83/1349261983.db2.gz XEXSUNRGSFOMDW-HTQZYQBOSA-N -1 3 338.368 2.244 20 5 EEBDHM C[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001590315526 1349261990 /nfs/dbraw/zinc/26/19/90/1349261990.db2.gz XEXSUNRGSFOMDW-HTQZYQBOSA-N -1 3 338.368 2.244 20 5 EEBDHM CCC(CC)(CCO)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590427058 1349318803 /nfs/dbraw/zinc/31/88/03/1349318803.db2.gz QGQBJVQAPGNXRW-UHFFFAOYSA-N -1 3 334.380 2.376 20 5 EEBDHM CCC(CC)(CCO)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590427058 1349318807 /nfs/dbraw/zinc/31/88/07/1349318807.db2.gz QGQBJVQAPGNXRW-UHFFFAOYSA-N -1 3 334.380 2.376 20 5 EEBDHM COC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccco1 ZINC001591382277 1349476147 /nfs/dbraw/zinc/47/61/47/1349476147.db2.gz HLRFBCTWXYXQKE-NSHDSACASA-N -1 3 330.304 2.168 20 5 EEBDHM Cc1nc(C)c(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001592357801 1349624084 /nfs/dbraw/zinc/62/40/84/1349624084.db2.gz YWPJVXRMUWUOBY-UHFFFAOYSA-N -1 3 331.361 2.460 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(F)CCCC1 ZINC001593297097 1349770489 /nfs/dbraw/zinc/77/04/89/1349770489.db2.gz YVOANAQBBNKCOS-UHFFFAOYSA-N -1 3 335.295 2.100 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(F)CCCC1 ZINC001593297097 1349770491 /nfs/dbraw/zinc/77/04/91/1349770491.db2.gz YVOANAQBBNKCOS-UHFFFAOYSA-N -1 3 335.295 2.100 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C1CC1)C1CCOCC1 ZINC001593468006 1349804651 /nfs/dbraw/zinc/80/46/51/1349804651.db2.gz ICENVNJRMWWUPQ-OAHLLOKOSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C1CC1)C1CCOCC1 ZINC001593468006 1349804657 /nfs/dbraw/zinc/80/46/57/1349804657.db2.gz ICENVNJRMWWUPQ-OAHLLOKOSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCc3cc(F)ccc3C2)ccc1-c1nnn[n-]1 ZINC001593471260 1349807077 /nfs/dbraw/zinc/80/70/77/1349807077.db2.gz MXSSURULAAWORD-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(NCC2(CO)CC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC001593473395 1349807844 /nfs/dbraw/zinc/80/78/44/1349807844.db2.gz ARWYVCARDLGFCI-UHFFFAOYSA-N -1 3 344.375 2.130 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CC3(CCC3)CO2)c(-c2nnn[n-]2)c1 ZINC001593478636 1349811781 /nfs/dbraw/zinc/81/17/81/1349811781.db2.gz XFHNJKPFYGAGPU-NSHDSACASA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CC3(CCC3)CO2)c(-c2nn[n-]n2)c1 ZINC001593478636 1349811786 /nfs/dbraw/zinc/81/17/86/1349811786.db2.gz XFHNJKPFYGAGPU-NSHDSACASA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCOc1cccc(F)c1 ZINC001593483546 1349813793 /nfs/dbraw/zinc/81/37/93/1349813793.db2.gz VDGFAPNKBDHYTL-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCOc1cccc(F)c1 ZINC001593483546 1349813799 /nfs/dbraw/zinc/81/37/99/1349813799.db2.gz VDGFAPNKBDHYTL-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM CCc1noc(CC)c1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604586477 1350965108 /nfs/dbraw/zinc/96/51/08/1350965108.db2.gz MBRAZYYJMASIGT-UHFFFAOYSA-N -1 3 343.347 2.500 20 5 EEBDHM CCc1noc(CC)c1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604586477 1350965110 /nfs/dbraw/zinc/96/51/10/1350965110.db2.gz MBRAZYYJMASIGT-UHFFFAOYSA-N -1 3 343.347 2.500 20 5 EEBDHM CO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC001605025239 1351058586 /nfs/dbraw/zinc/05/85/86/1351058586.db2.gz SEYBGXYGVDIQRS-KGLIPLIRSA-N -1 3 344.375 2.169 20 5 EEBDHM CO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC001605025239 1351058587 /nfs/dbraw/zinc/05/85/87/1351058587.db2.gz SEYBGXYGVDIQRS-KGLIPLIRSA-N -1 3 344.375 2.169 20 5 EEBDHM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(C)C ZINC001605032256 1351062709 /nfs/dbraw/zinc/06/27/09/1351062709.db2.gz MUQNOOFROYDFEL-CYBMUJFWSA-N -1 3 332.364 2.026 20 5 EEBDHM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(C)C ZINC001605032256 1351062714 /nfs/dbraw/zinc/06/27/14/1351062714.db2.gz MUQNOOFROYDFEL-CYBMUJFWSA-N -1 3 332.364 2.026 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605307458 1351131529 /nfs/dbraw/zinc/13/15/29/1351131529.db2.gz AADMYDOPAFEFQO-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605307458 1351131532 /nfs/dbraw/zinc/13/15/32/1351131532.db2.gz AADMYDOPAFEFQO-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC001606603815 1351330618 /nfs/dbraw/zinc/33/06/18/1351330618.db2.gz MDDNWAZGPDIKPT-UHFFFAOYSA-N -1 3 330.329 2.018 20 5 EEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC001606603815 1351330621 /nfs/dbraw/zinc/33/06/21/1351330621.db2.gz MDDNWAZGPDIKPT-UHFFFAOYSA-N -1 3 330.329 2.018 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cn2ccccc2n1 ZINC001607081014 1351409430 /nfs/dbraw/zinc/40/94/30/1351409430.db2.gz XQPYRODFNQOJAD-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cn2ccccc2n1 ZINC001607081014 1351409432 /nfs/dbraw/zinc/40/94/32/1351409432.db2.gz XQPYRODFNQOJAD-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)c(-c2nnn[n-]2)c1 ZINC001607082543 1351410422 /nfs/dbraw/zinc/41/04/22/1351410422.db2.gz ZXNHNGRNXNGDIS-MNOVXSKESA-N -1 3 332.389 2.249 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)c(-c2nn[n-]n2)c1 ZINC001607082543 1351410424 /nfs/dbraw/zinc/41/04/24/1351410424.db2.gz ZXNHNGRNXNGDIS-MNOVXSKESA-N -1 3 332.389 2.249 20 5 EEBDHM COC(=O)c1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001591298460 1403902881 /nfs/dbraw/zinc/90/28/81/1403902881.db2.gz QNMDQBPTOCGYCX-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM COC(=O)c1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001591298460 1403902890 /nfs/dbraw/zinc/90/28/90/1403902890.db2.gz QNMDQBPTOCGYCX-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C1CC1)C1CC1 ZINC001109516796 805606391 /nfs/dbraw/zinc/60/63/91/805606391.db2.gz TZDLOIVSRAKXNX-UHFFFAOYSA-N -1 3 348.403 2.392 20 5 EEBDHM CN(CCCN(C)c1ncccc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001112044400 765212616 /nfs/dbraw/zinc/21/26/16/765212616.db2.gz RCPNAFISDYVIAH-UHFFFAOYSA-N -1 3 344.371 2.294 20 5 EEBDHM Cc1cnc(N(C)CCN(C)C(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 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CN(Cc1ccc(C(=O)[O-])cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001598513237 992586660 /nfs/dbraw/zinc/58/66/60/992586660.db2.gz OYHJZGMJDALPIV-INIZCTEOSA-N -1 3 330.340 2.458 20 5 EEBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452055907 243337949 /nfs/dbraw/zinc/33/79/49/243337949.db2.gz CTJRMRBUYDEZKT-VXGBXAGGSA-N -1 3 348.808 2.484 20 5 EEBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000266350542 248259960 /nfs/dbraw/zinc/25/99/60/248259960.db2.gz PFIZYRCEOYCZFI-JTQLQIEISA-N -1 3 348.446 2.413 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000271732056 256238456 /nfs/dbraw/zinc/23/84/56/256238456.db2.gz VIDIEQFVEDQFQK-GXTWGEPZSA-N -1 3 342.417 2.385 20 5 EEBDHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273453838 256298024 /nfs/dbraw/zinc/29/80/24/256298024.db2.gz CXSSNYLCBMCWMX-WDEREUQCSA-N -1 3 346.380 2.217 20 5 EEBDHM CS(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000191442605 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Cc1noc(C)c1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737538601 578263066 /nfs/dbraw/zinc/26/30/66/578263066.db2.gz WSQZZEUDZHXXCE-UHFFFAOYSA-N -1 3 329.320 2.034 20 5 EEBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820635836 599038338 /nfs/dbraw/zinc/03/83/38/599038338.db2.gz OIHVEYPSQHUCEG-BBRMVZONSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820635836 599038341 /nfs/dbraw/zinc/03/83/41/599038341.db2.gz OIHVEYPSQHUCEG-BBRMVZONSA-N -1 3 337.343 2.312 20 5 EEBDHM Cn1cnc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000822699124 599358619 /nfs/dbraw/zinc/35/86/19/599358619.db2.gz PEFRSKJAMSQVBH-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM Cn1cnc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC000822699124 599358622 /nfs/dbraw/zinc/35/86/22/599358622.db2.gz PEFRSKJAMSQVBH-UHFFFAOYSA-N -1 3 336.315 2.405 20 5 EEBDHM O=C([O-])c1sccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833347384 601828677 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O=[N+]([O-])c1ncccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823651946 606866127 /nfs/dbraw/zinc/86/61/27/606866127.db2.gz SKAPUQQLNHAQMN-UHFFFAOYSA-N -1 3 342.315 2.018 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(F)cc1 ZINC000826497713 607873421 /nfs/dbraw/zinc/87/34/21/607873421.db2.gz RAXJDXDALRHOOR-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(F)cc1 ZINC000826497713 607873422 /nfs/dbraw/zinc/87/34/22/607873422.db2.gz RAXJDXDALRHOOR-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826304652 608008934 /nfs/dbraw/zinc/00/89/34/608008934.db2.gz SYRMWVPKDDCOSY-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826304652 608008935 /nfs/dbraw/zinc/00/89/35/608008935.db2.gz SYRMWVPKDDCOSY-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM COc1ccc([C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CCN2)cc1 ZINC000879524056 1201121663 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EEBDHM CC(C)C1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097102614 1243702019 /nfs/dbraw/zinc/70/20/19/1243702019.db2.gz SCWNXKWKCIBAIA-XYPYZODXSA-N -1 3 334.376 2.191 20 5 EEBDHM CC(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097224584 1243848998 /nfs/dbraw/zinc/84/89/98/1243848998.db2.gz OUJSOKMXYFVQOY-PHIMTYICSA-N -1 3 336.392 2.437 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC001101480795 1245885168 /nfs/dbraw/zinc/88/51/68/1245885168.db2.gz PPQPTFPAATVVFO-UHFFFAOYSA-N -1 3 334.307 2.019 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001101523519 1245922088 /nfs/dbraw/zinc/92/20/88/1245922088.db2.gz AQBCTBRKYUXVGI-UHFFFAOYSA-N -1 3 334.376 2.456 20 5 EEBDHM O=C(C1CCC=CCC1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055823726 1250861149 /nfs/dbraw/zinc/86/11/49/1250861149.db2.gz OLUUDBZNXVFMFD-UHFFFAOYSA-N -1 3 346.387 2.090 20 5 EEBDHM COC(=O)c1cccc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)n21 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ZINC001590008476 1349104730 /nfs/dbraw/zinc/10/47/30/1349104730.db2.gz ZAHTUEZJMLKYND-JTQLQIEISA-N -1 3 333.348 2.306 20 5 EEBDHM CC1(C)CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590100167 1349154089 /nfs/dbraw/zinc/15/40/89/1349154089.db2.gz OFHADZQLXIOLEQ-UHFFFAOYSA-N -1 3 334.405 2.497 20 5 EEBDHM CC1(C)CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590100167 1349154099 /nfs/dbraw/zinc/15/40/99/1349154099.db2.gz OFHADZQLXIOLEQ-UHFFFAOYSA-N -1 3 334.405 2.497 20 5 EEBDHM COc1cc(Oc2nccc(C)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591555381 1349506303 /nfs/dbraw/zinc/50/63/03/1349506303.db2.gz VKKGGZZHNSZMBG-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1cc(Oc2nccc(C)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591555381 1349506308 /nfs/dbraw/zinc/50/63/08/1349506308.db2.gz VKKGGZZHNSZMBG-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1ccc(Oc2cc(C)c(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC001591621756 1349517746 /nfs/dbraw/zinc/51/77/46/1349517746.db2.gz WZITUSPJLZRYDN-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1ccc(Oc2cc(C)c(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC001591621756 1349517754 /nfs/dbraw/zinc/51/77/54/1349517754.db2.gz WZITUSPJLZRYDN-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM Cc1cc(NC[C@@]2(O)CCC[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042702 1349587184 /nfs/dbraw/zinc/58/71/84/1349587184.db2.gz MKRYNUDYDUIQGH-BONVTDFDSA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1cc(NC[C@@]2(O)CCC[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042702 1349587186 /nfs/dbraw/zinc/58/71/86/1349587186.db2.gz MKRYNUDYDUIQGH-BONVTDFDSA-N -1 3 332.364 2.046 20 5 EEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001593292727 1349768680 /nfs/dbraw/zinc/76/86/80/1349768680.db2.gz XUCDMKKLWREXCP-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001593292727 1349768685 /nfs/dbraw/zinc/76/86/85/1349768685.db2.gz XUCDMKKLWREXCP-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(N3Cc4ccc(-c5nnn[n-]5)cc4C3)nc2c1 ZINC001593479784 1349811664 /nfs/dbraw/zinc/81/16/64/1349811664.db2.gz XAPQBSIVMSAOPV-UHFFFAOYSA-N -1 3 348.326 2.171 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(N3Cc4ccc(-c5nn[n-]n5)cc4C3)nc2c1 ZINC001593479784 1349811669 /nfs/dbraw/zinc/81/16/69/1349811669.db2.gz XAPQBSIVMSAOPV-UHFFFAOYSA-N -1 3 348.326 2.171 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCO[C@@H]1CCCCO1 ZINC001593481549 1349813089 /nfs/dbraw/zinc/81/30/89/1349813089.db2.gz RNAVIZRWKUEQJN-CYBMUJFWSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCO[C@@H]1CCCCO1 ZINC001593481549 1349813092 /nfs/dbraw/zinc/81/30/92/1349813092.db2.gz RNAVIZRWKUEQJN-CYBMUJFWSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC2C[C@H]3CC[C@@H](C2)S3)c(-c2nnn[n-]2)c1 ZINC001593484857 1349813866 /nfs/dbraw/zinc/81/38/66/1349813866.db2.gz KQCDNQQMAFPLKK-UQPYNNQESA-N -1 3 347.404 2.256 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC2C[C@H]3CC[C@@H](C2)S3)c(-c2nn[n-]n2)c1 ZINC001593484857 1349813873 /nfs/dbraw/zinc/81/38/73/1349813873.db2.gz KQCDNQQMAFPLKK-UQPYNNQESA-N -1 3 347.404 2.256 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCOc2ccccc21 ZINC001593483099 1349814318 /nfs/dbraw/zinc/81/43/18/1349814318.db2.gz UONQJMGKAOLNEG-UHFFFAOYSA-N -1 3 338.327 2.174 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCOc2ccccc21 ZINC001593483099 1349814322 /nfs/dbraw/zinc/81/43/22/1349814322.db2.gz UONQJMGKAOLNEG-UHFFFAOYSA-N -1 3 338.327 2.174 20 5 EEBDHM O=[N+]([O-])c1ccsc1N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593487139 1349816144 /nfs/dbraw/zinc/81/61/44/1349816144.db2.gz WCESNJAENSNSOH-UHFFFAOYSA-N -1 3 343.372 2.137 20 5 EEBDHM O=[N+]([O-])c1ccsc1N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593487139 1349816149 /nfs/dbraw/zinc/81/61/49/1349816149.db2.gz WCESNJAENSNSOH-UHFFFAOYSA-N -1 3 343.372 2.137 20 5 EEBDHM O=C([O-])[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001601675285 1350334956 /nfs/dbraw/zinc/33/49/56/1350334956.db2.gz MSOONENIZQYNCI-NSHDSACASA-N -1 3 329.150 2.310 20 5 EEBDHM O=C([O-])C1(C2(O)CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001601706647 1350343621 /nfs/dbraw/zinc/34/36/21/1350343621.db2.gz WDCJAOKVTVKKKJ-UHFFFAOYSA-N -1 3 348.399 2.219 20 5 EEBDHM O=C([O-])C[C@H]1CCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001601954152 1350405036 /nfs/dbraw/zinc/40/50/36/1350405036.db2.gz ZLCAVQFUXLKMRK-CQSZACIVSA-N -1 3 330.344 2.355 20 5 EEBDHM CC(C)(C)C(F)(F)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603061095 1350629761 /nfs/dbraw/zinc/62/97/61/1350629761.db2.gz VFIIBKYIFGFVBN-UHFFFAOYSA-N -1 3 327.295 2.263 20 5 EEBDHM CC(C)(C)C(F)(F)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603061095 1350629766 /nfs/dbraw/zinc/62/97/66/1350629766.db2.gz VFIIBKYIFGFVBN-UHFFFAOYSA-N -1 3 327.295 2.263 20 5 EEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC001604828137 1351016907 /nfs/dbraw/zinc/01/69/07/1351016907.db2.gz JRWOPPYQWBUXMH-NSHDSACASA-N -1 3 334.380 2.008 20 5 EEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C 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ZINC001592276375 1404015470 /nfs/dbraw/zinc/01/54/70/1404015470.db2.gz CTQNOQDSAJRQCK-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1nc(Oc2ccc(C=O)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001606078691 1404764828 /nfs/dbraw/zinc/76/48/28/1404764828.db2.gz QWHJANSGORVUIK-UHFFFAOYSA-N -1 3 326.272 2.083 20 5 EEBDHM Cc1nc(Oc2ccc(C=O)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001606078691 1404764830 /nfs/dbraw/zinc/76/48/30/1404764830.db2.gz QWHJANSGORVUIK-UHFFFAOYSA-N -1 3 326.272 2.083 20 5 EEBDHM C=C/C(C)=C\CC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106918837 778523981 /nfs/dbraw/zinc/52/39/81/778523981.db2.gz NTADTZHXDCMQJX-SDQBBNPISA-N -1 3 334.376 2.478 20 5 EEBDHM Cc1nc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)sc1C ZINC000822458905 787216953 /nfs/dbraw/zinc/21/69/53/787216953.db2.gz IKCMQBDOBPSTFX-UHFFFAOYSA-N -1 3 335.374 2.394 20 5 EEBDHM Cc1noc(C)c1CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822524117 787233863 /nfs/dbraw/zinc/23/38/63/787233863.db2.gz XQGASWHZJNPNBT-UHFFFAOYSA-N -1 3 343.347 2.424 20 5 EEBDHM Cc1noc(C)c1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822524117 787233871 /nfs/dbraw/zinc/23/38/71/787233871.db2.gz XQGASWHZJNPNBT-UHFFFAOYSA-N -1 3 343.347 2.424 20 5 EEBDHM CCc1ccoc1C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107502319 787452480 /nfs/dbraw/zinc/45/24/80/787452480.db2.gz FIIUIOMJKHIEBW-ARJAWSKDSA-N -1 3 346.343 2.249 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001093599678 795440785 /nfs/dbraw/zinc/44/07/85/795440785.db2.gz VWHSAXDRJXSZKK-UHFFFAOYSA-N -1 3 336.735 2.191 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C(F)F)CCCC1 ZINC001094062606 795906726 /nfs/dbraw/zinc/90/67/26/795906726.db2.gz ZNXRXHVYMKNHGX-UHFFFAOYSA-N -1 3 344.318 2.049 20 5 EEBDHM CC(C)n1cccc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094437397 796243605 /nfs/dbraw/zinc/24/36/05/796243605.db2.gz DJDXDLMNCQDUSA-UHFFFAOYSA-N -1 3 347.375 2.310 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCCP(=O)([O-])[O-])CC2 ZINC001172913284 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346.221 2.185 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccco1 ZINC000445739546 242129865 /nfs/dbraw/zinc/12/98/65/242129865.db2.gz GGTNIPYJHFRCAJ-UHFFFAOYSA-N -1 3 330.749 2.362 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000447944138 242342864 /nfs/dbraw/zinc/34/28/64/242342864.db2.gz ZIBWDUKRRBJRJF-QMMMGPOBSA-N -1 3 336.822 2.280 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000451678876 243201985 /nfs/dbraw/zinc/20/19/85/243201985.db2.gz XOVYHJUCUUWIFS-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM O=C([N-]c1ncc(C2(O)CCCCC2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000276572310 256445554 /nfs/dbraw/zinc/44/55/54/256445554.db2.gz IQAUVMQMDVHUBO-UHFFFAOYSA-N -1 3 337.361 2.178 20 5 EEBDHM COC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000451616739 292122500 /nfs/dbraw/zinc/12/25/00/292122500.db2.gz SFZMTAGZKGOKHF-UHFFFAOYSA-N -1 3 334.419 2.202 20 5 EEBDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173604877 152180243 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20 5 EEBDHM CC(C)(CO)O[N-]C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000297744802 294329878 /nfs/dbraw/zinc/32/98/78/294329878.db2.gz LCIDCSKYYORYTH-UHFFFAOYSA-N -1 3 348.153 2.181 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)c1C ZINC000378323967 301861243 /nfs/dbraw/zinc/86/12/43/301861243.db2.gz PZZFNDHLDJKNAT-JSGCOSHPSA-N -1 3 340.401 2.057 20 5 EEBDHM COc1ccc(S(=O)(=O)N(C)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000322820518 311598821 /nfs/dbraw/zinc/59/88/21/311598821.db2.gz FLHRYIBWQKIAKN-UHFFFAOYSA-N -1 3 338.341 2.134 20 5 EEBDHM COC1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000416548080 313253609 /nfs/dbraw/zinc/25/36/09/313253609.db2.gz WIVHASBOJJXKCZ-UHFFFAOYSA-N -1 3 334.419 2.201 20 5 EEBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000416560947 313258765 /nfs/dbraw/zinc/25/87/65/313258765.db2.gz SCZDNXQLDRHADJ-YPMHNXCESA-N -1 3 328.390 2.057 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000431239013 314620752 /nfs/dbraw/zinc/62/07/52/314620752.db2.gz PXWLDIZXUJTSCP-IUODEOHRSA-N -1 3 342.417 2.243 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CN1CCCCC1 ZINC000193205501 465028048 /nfs/dbraw/zinc/02/80/48/465028048.db2.gz XFUPSLDGTCGMBP-ZDUSSCGKSA-N -1 3 341.433 2.056 20 5 EEBDHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000341945554 465276823 /nfs/dbraw/zinc/27/68/23/465276823.db2.gz OQQQQUAMUZKUME-NSHDSACASA-N -1 3 347.412 2.133 20 5 EEBDHM NC(=O)Nc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000045318555 462576865 /nfs/dbraw/zinc/57/68/65/462576865.db2.gz HWHZBMGMAARHRD-UHFFFAOYSA-N -1 3 340.299 2.214 20 5 EEBDHM O=C(NCc1ccc([O-])c(F)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000133132718 462901753 /nfs/dbraw/zinc/90/17/53/462901753.db2.gz ZKXSZQVLPPHOCY-UHFFFAOYSA-N -1 3 330.275 2.246 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccs2)c([N+](=O)[O-])c1 ZINC000023392810 463066495 /nfs/dbraw/zinc/06/64/95/463066495.db2.gz YDYRWXZZGICYMX-UHFFFAOYSA-N -1 3 328.371 2.143 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(C)(C)CO)c1C ZINC000121674221 463177384 /nfs/dbraw/zinc/17/73/84/463177384.db2.gz CZOWCRGSXVRHEI-UHFFFAOYSA-N -1 3 344.433 2.289 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O ZINC000158321397 463226194 /nfs/dbraw/zinc/22/61/94/463226194.db2.gz VCPUVGOMPNCAQS-SKDRFNHKSA-N -1 3 348.808 2.078 20 5 EEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000080615730 463338760 /nfs/dbraw/zinc/33/87/60/463338760.db2.gz SSOCKKKKUWLVTA-NSHDSACASA-N -1 3 336.797 2.198 20 5 EEBDHM CCCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032402581 463374867 /nfs/dbraw/zinc/37/48/67/463374867.db2.gz RBJOASRPPQMVQR-UHFFFAOYSA-N -1 3 346.405 2.089 20 5 EEBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186318357 463975705 /nfs/dbraw/zinc/97/57/05/463975705.db2.gz ITLYEDBBVHKVAF-SNVBAGLBSA-N -1 3 330.344 2.346 20 5 EEBDHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269769886 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EEBDHM CCn1nc(C)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000736732930 578220871 /nfs/dbraw/zinc/22/08/71/578220871.db2.gz ZRWDDXJLYCXCDY-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM CCn1nc(C)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000736732930 578220872 /nfs/dbraw/zinc/22/08/72/578220872.db2.gz ZRWDDXJLYCXCDY-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCS1 ZINC000824224224 607568482 /nfs/dbraw/zinc/56/84/82/607568482.db2.gz NQKZPKATMVTQNG-ZDUSSCGKSA-N -1 3 334.405 2.353 20 5 EEBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826420868 607661019 /nfs/dbraw/zinc/66/10/19/607661019.db2.gz GPVZVJWGJLUENH-UHFFFAOYSA-N -1 3 342.340 2.145 20 5 EEBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826420868 607661020 /nfs/dbraw/zinc/66/10/20/607661020.db2.gz GPVZVJWGJLUENH-UHFFFAOYSA-N -1 3 342.340 2.145 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(-c2nnn[n-]2)c1 ZINC000826499083 607820891 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O=c1[n-]ccc(N2CCC(O)(Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000853483186 1369339546 /nfs/dbraw/zinc/33/95/46/1369339546.db2.gz VGOZSMDAIKMQEY-UHFFFAOYSA-N -1 3 347.346 2.409 20 5 EEBDHM C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001576880866 1403614388 /nfs/dbraw/zinc/61/43/88/1403614388.db2.gz SAJMHAJTRJVFME-CIUDSAMLSA-N -1 3 327.768 2.165 20 5 EEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC001592913399 1404729461 /nfs/dbraw/zinc/72/94/61/1404729461.db2.gz FWZSEZNCJSIRBJ-UHFFFAOYSA-N -1 3 339.311 2.061 20 5 EEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC001592913399 1404729465 /nfs/dbraw/zinc/72/94/65/1404729465.db2.gz FWZSEZNCJSIRBJ-UHFFFAOYSA-N -1 3 339.311 2.061 20 5 EEBDHM CN(CCN(C)c1ncc([N+](=O)[O-])cc1F)C(=O)c1ccccc1[O-] ZINC001105331190 769733425 /nfs/dbraw/zinc/73/34/25/769733425.db2.gz TYBLDQVZSVDCMH-UHFFFAOYSA-N -1 3 348.334 2.043 20 5 EEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820213479 785817791 /nfs/dbraw/zinc/81/77/91/785817791.db2.gz NDBIGSOSBVQVIV-UHFFFAOYSA-N -1 3 331.263 2.150 20 5 EEBDHM CC(C)(C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)F ZINC001107496663 787419266 /nfs/dbraw/zinc/41/92/66/787419266.db2.gz AAYBJBKCTPWISD-ONEGZZNKSA-N -1 3 344.318 2.071 20 5 EEBDHM O=[N+]([O-])c1cc[n+]([O-])c([N-][C@@H](c2ccccn2)C(F)(F)F)c1F ZINC001168477073 795342899 /nfs/dbraw/zinc/34/28/99/795342899.db2.gz HXASEPMBJJBABI-JTQLQIEISA-N -1 3 332.213 2.478 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cc2sccc2[nH]1 ZINC001093837619 795721262 /nfs/dbraw/zinc/72/12/62/795721262.db2.gz ZBNJLCIBEGRZMJ-UHFFFAOYSA-N -1 3 347.356 2.080 20 5 EEBDHM COc1cc([C@@H]2Nc3cccc(C)c3C(=O)N2)c([N+](=O)[O-])cc1[O-] ZINC000917418774 798205145 /nfs/dbraw/zinc/20/51/45/798205145.db2.gz WBLKLYIPBRHUEC-OAHLLOKOSA-N -1 3 329.312 2.472 20 5 EEBDHM C=C/C(C)=C\CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110297363 801184401 /nfs/dbraw/zinc/18/44/01/801184401.db2.gz YTCLUUABADZTJR-WCIBSUBMSA-N 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342.417 2.305 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000360539583 164332853 /nfs/dbraw/zinc/33/28/53/164332853.db2.gz IHIFUSDSYXYVMN-LBPRGKRZSA-N -1 3 344.433 2.369 20 5 EEBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285507657 274743811 /nfs/dbraw/zinc/74/38/11/274743811.db2.gz FSCPEECXYOLKSA-NXEZZACHSA-N -1 3 348.808 2.199 20 5 EEBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OC ZINC000292045230 275367404 /nfs/dbraw/zinc/36/74/04/275367404.db2.gz ZWPVGSSVSWWXGM-UHFFFAOYSA-N -1 3 346.405 2.087 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000126122977 302047284 /nfs/dbraw/zinc/04/72/84/302047284.db2.gz OWMKIWMUHDIWDR-CYBMUJFWSA-N -1 3 330.431 2.467 20 5 EEBDHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332175414 311962473 /nfs/dbraw/zinc/96/24/73/311962473.db2.gz VGWBTMZUAHUGKW-JGVFFNPUSA-N -1 3 349.206 2.292 20 5 EEBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 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HJRCEFDWBGOWDF-CQSZACIVSA-N -1 3 330.344 2.403 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CC(N3CCCCC3)C2)n1 ZINC000580894603 324149093 /nfs/dbraw/zinc/14/90/93/324149093.db2.gz GROMGGJEIQRMHS-UHFFFAOYSA-N -1 3 334.376 2.425 20 5 EEBDHM Cc1cnccc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000167731595 463663910 /nfs/dbraw/zinc/66/39/10/463663910.db2.gz TWHOUZUFAWEFMA-UHFFFAOYSA-N -1 3 335.385 2.128 20 5 EEBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358604976 465217154 /nfs/dbraw/zinc/21/71/54/465217154.db2.gz XOOZRBUCTQEWJU-UHFFFAOYSA-N -1 3 326.399 2.486 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000535052147 468294073 /nfs/dbraw/zinc/29/40/73/468294073.db2.gz NCQHZMWFMWAOAR-ZSBIGDGJSA-N -1 3 328.390 2.138 20 5 EEBDHM COc1ccnc2c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])cccc12 ZINC000535056988 468295615 /nfs/dbraw/zinc/29/56/15/468295615.db2.gz MMKFAKMDVHQFJG-UHFFFAOYSA-N -1 3 327.300 2.137 20 5 EEBDHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)on1 ZINC000065536129 462792858 /nfs/dbraw/zinc/79/28/58/462792858.db2.gz SKLSDOAYOMEMLC-QMMMGPOBSA-N -1 3 337.263 2.214 20 5 EEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000047543975 462797100 /nfs/dbraw/zinc/79/71/00/462797100.db2.gz UCZRTOWVKLDAJS-GZMMTYOYSA-N -1 3 334.781 2.094 20 5 EEBDHM Nc1nc(Sc2nnc(-c3ccccc3F)[n-]2)ncc1[N+](=O)[O-] ZINC000076267769 462831973 /nfs/dbraw/zinc/83/19/73/462831973.db2.gz VXGLRZMVNCZQRK-UHFFFAOYSA-N -1 3 333.308 2.042 20 5 EEBDHM Nc1nc(Sc2nc(-c3ccccc3F)n[n-]2)ncc1[N+](=O)[O-] ZINC000076267769 462831979 /nfs/dbraw/zinc/83/19/79/462831979.db2.gz VXGLRZMVNCZQRK-UHFFFAOYSA-N -1 3 333.308 2.042 20 5 EEBDHM Nc1nc(Sc2n[n-]c(-c3ccccc3F)n2)ncc1[N+](=O)[O-] ZINC000076267769 462831984 /nfs/dbraw/zinc/83/19/84/462831984.db2.gz VXGLRZMVNCZQRK-UHFFFAOYSA-N -1 3 333.308 2.042 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155041106 462840631 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Nc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609513134 1352001793 /nfs/dbraw/zinc/00/17/93/1352001793.db2.gz OFPIHLBPZWVENW-UHFFFAOYSA-N -1 3 330.279 2.075 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1nccc(C(F)F)n1 ZINC001609600519 1352031034 /nfs/dbraw/zinc/03/10/34/1352031034.db2.gz ODODRVRCNKKDGP-UHFFFAOYSA-N -1 3 348.273 2.115 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1nccc(C(F)F)n1 ZINC001609600519 1352031036 /nfs/dbraw/zinc/03/10/36/1352031036.db2.gz ODODRVRCNKKDGP-UHFFFAOYSA-N -1 3 348.273 2.115 20 5 EEBDHM CN(CCNC(=O)C(C)(C)C(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100256558 1338210197 /nfs/dbraw/zinc/21/01/97/1338210197.db2.gz VPQCPUDMNRGGDR-UHFFFAOYSA-N -1 3 338.408 2.320 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001610214252 1352187238 /nfs/dbraw/zinc/18/72/38/1352187238.db2.gz PEWQGGOSLSOLGD-QMTHXVAHSA-N -1 3 336.344 2.067 20 5 EEBDHM Cc1ccc(F)c(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001100344576 1338285823 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332.364 2.046 20 5 EEBDHM Cc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001592199123 1349604702 /nfs/dbraw/zinc/60/47/02/1349604702.db2.gz FBOMWRVWMHOFGB-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001592199123 1349604706 /nfs/dbraw/zinc/60/47/06/1349604706.db2.gz FBOMWRVWMHOFGB-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1n[nH]cc1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592331669 1349622394 /nfs/dbraw/zinc/62/23/94/1349622394.db2.gz NCGOXBJRRFHDBZ-UHFFFAOYSA-N -1 3 337.303 2.098 20 5 EEBDHM Cc1n[nH]cc1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592331669 1349622396 /nfs/dbraw/zinc/62/23/96/1349622396.db2.gz NCGOXBJRRFHDBZ-UHFFFAOYSA-N -1 3 337.303 2.098 20 5 EEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1csc([N+](=O)[O-])c1 ZINC001593292005 1349767751 /nfs/dbraw/zinc/76/77/51/1349767751.db2.gz LDEZUKXXWGSJIB-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1csc([N+](=O)[O-])c1 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YNEDDAFMEKJZJH-UHFFFAOYSA-N -1 3 349.412 2.318 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000108873664 159344446 /nfs/dbraw/zinc/34/44/46/159344446.db2.gz QPBBOTZOHZUVRR-SSDOTTSWSA-N -1 3 349.206 2.434 20 5 EEBDHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)no1 ZINC000188290913 160121036 /nfs/dbraw/zinc/12/10/36/160121036.db2.gz NBEKOPLCMMEQLW-UHFFFAOYSA-N -1 3 341.283 2.306 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c2ncccc12 ZINC000339120777 160829907 /nfs/dbraw/zinc/82/99/07/160829907.db2.gz NTCWMADVFZEWBL-WDEREUQCSA-N -1 3 339.348 2.312 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccon2)c1C ZINC000342356205 161059345 /nfs/dbraw/zinc/05/93/45/161059345.db2.gz GEZXSEREZYCPKC-JTQLQIEISA-N -1 3 325.346 2.239 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000345936349 161343791 /nfs/dbraw/zinc/34/37/91/161343791.db2.gz CZXZCLYZZSBPIN-JTQLQIEISA-N -1 3 328.390 2.460 20 5 EEBDHM 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334.380 2.232 20 5 EEBDHM CC(C)C[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820054938 599686395 /nfs/dbraw/zinc/68/63/95/599686395.db2.gz DTAGCTSYDFAUCR-LLVKDONJSA-N -1 3 334.380 2.232 20 5 EEBDHM CCOCCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000825590634 607729626 /nfs/dbraw/zinc/72/96/26/607729626.db2.gz YRFIGGXLGQVLDE-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM CCOCCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000825590634 607729628 /nfs/dbraw/zinc/72/96/28/607729628.db2.gz YRFIGGXLGQVLDE-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000823418859 607074514 /nfs/dbraw/zinc/07/45/14/607074514.db2.gz XVDUVCUVYLGXSL-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000823418859 607074515 /nfs/dbraw/zinc/07/45/15/607074515.db2.gz XVDUVCUVYLGXSL-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000826257477 607788322 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343.748 2.453 20 5 EEBDHM COc1nccc(C)c1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844452 1204430799 /nfs/dbraw/zinc/43/07/99/1204430799.db2.gz USWFUBRBMNHAAS-UHFFFAOYSA-N -1 3 329.272 2.124 20 5 EEBDHM CCCCC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096006232 1233425188 /nfs/dbraw/zinc/42/51/88/1233425188.db2.gz OXIBBNYDRKOHGJ-UHFFFAOYSA-N -1 3 336.392 2.361 20 5 EEBDHM CC(C)C(=O)NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001056507396 1239418961 /nfs/dbraw/zinc/41/89/61/1239418961.db2.gz BUFIJSXUMFDRBC-UHFFFAOYSA-N -1 3 334.376 2.191 20 5 EEBDHM C/C(=C\C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001057293966 1243110880 /nfs/dbraw/zinc/11/08/80/1243110880.db2.gz PPGPGEDUPMZFTQ-ZHACJKMWSA-N -1 3 346.387 2.455 20 5 EEBDHM CC1(C)CC(C(=O)N[C@H]2C[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001068486014 1251148377 /nfs/dbraw/zinc/14/83/77/1251148377.db2.gz XEEATGDLWUUBEG-UMSPYCQHSA-N -1 3 348.403 2.438 20 5 EEBDHM 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C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1nccs1 ZINC001609112009 1351848171 /nfs/dbraw/zinc/84/81/71/1351848171.db2.gz PMEYXGRVGKEKTD-VIFPVBQESA-N -1 3 345.388 2.471 20 5 EEBDHM CCOC[C@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609240132 1351905799 /nfs/dbraw/zinc/90/57/99/1351905799.db2.gz MFJWBFJRQITYIO-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM CCOC[C@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609240132 1351905801 /nfs/dbraw/zinc/90/58/01/1351905801.db2.gz MFJWBFJRQITYIO-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H]2CCO[C@@H](C3CC3)C2)ccc1-c1nnn[n-]1 ZINC001609601299 1352030568 /nfs/dbraw/zinc/03/05/68/1352030568.db2.gz WBIDWYAPSIJDJQ-SMDDNHRTSA-N -1 3 330.348 2.144 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)s1 ZINC001579937323 1344436954 /nfs/dbraw/zinc/43/69/54/1344436954.db2.gz IOSFPPZXANUJCR-UHFFFAOYSA-N -1 3 333.329 2.424 20 5 EEBDHM Cc1ccccc1[C@@H]1C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581261165 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ZINC001228140007 1302122290 /nfs/dbraw/zinc/12/22/90/1302122290.db2.gz DIAIHHRJOZOCEI-VXGBXAGGSA-N -1 3 345.359 2.090 20 5 EEBDHM CCCSc1nc(O[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229791794 1302946254 /nfs/dbraw/zinc/94/62/54/1302946254.db2.gz MPAOVUIQZOAIKN-JTQLQIEISA-N -1 3 340.405 2.066 20 5 EEBDHM COC(=O)[C@H]1C[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233496884 1304483867 /nfs/dbraw/zinc/48/38/67/1304483867.db2.gz CGGCKRNMTRVVKC-LJGSYFOKSA-N -1 3 325.708 2.455 20 5 EEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309825409 1331643698 /nfs/dbraw/zinc/64/36/98/1331643698.db2.gz PIPNUMHDQJWBGN-UHFFFAOYSA-N -1 3 349.727 2.495 20 5 EEBDHM C[C@H]1c2ccsc2CCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609180677 1351878558 /nfs/dbraw/zinc/87/85/58/1351878558.db2.gz PQIKHKSWUZLUHT-QMMMGPOBSA-N -1 3 343.372 2.355 20 5 EEBDHM C[C@H]1c2ccsc2CCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609180677 1351878564 /nfs/dbraw/zinc/87/85/64/1351878564.db2.gz 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Cc1cncc([N+](=O)[O-])c1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609440690 1351978305 /nfs/dbraw/zinc/97/83/05/1351978305.db2.gz HZXAGCLNEOPHIR-JTQLQIEISA-N -1 3 325.332 2.073 20 5 EEBDHM Cc1ncc(CN(C)c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001609455453 1351984851 /nfs/dbraw/zinc/98/48/51/1351984851.db2.gz XUOPWBGGIONWMO-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Cc1ncc(CN(C)c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001609455453 1351984853 /nfs/dbraw/zinc/98/48/53/1351984853.db2.gz XUOPWBGGIONWMO-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](OCC2CC2)C1 ZINC001609600884 1352030738 /nfs/dbraw/zinc/03/07/38/1352030738.db2.gz IOSOWBBEIOVTRA-CYBMUJFWSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](OCC2CC2)C1 ZINC001609600884 1352030741 /nfs/dbraw/zinc/03/07/41/1352030741.db2.gz IOSOWBBEIOVTRA-CYBMUJFWSA-N -1 3 344.375 2.170 20 5 EEBDHM CC(C)c1nn(C)cc1NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589778090 1349038184 /nfs/dbraw/zinc/03/81/84/1349038184.db2.gz ZAMDKIKFQMHGGD-UHFFFAOYSA-N -1 3 342.363 2.244 20 5 EEBDHM CC(C)c1nn(C)cc1NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589778090 1349038189 /nfs/dbraw/zinc/03/81/89/1349038189.db2.gz ZAMDKIKFQMHGGD-UHFFFAOYSA-N -1 3 342.363 2.244 20 5 EEBDHM C[C@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccns1 ZINC001589966159 1349083955 /nfs/dbraw/zinc/08/39/55/1349083955.db2.gz ZIIGIJYCNPCDKM-QMMMGPOBSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccns1 ZINC001589966159 1349083960 /nfs/dbraw/zinc/08/39/60/1349083960.db2.gz ZIIGIJYCNPCDKM-QMMMGPOBSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315530 1349261429 /nfs/dbraw/zinc/26/14/29/1349261429.db2.gz XEXSUNRGSFOMDW-YUMQZZPRSA-N -1 3 338.368 2.244 20 5 EEBDHM C[C@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315530 1349261433 /nfs/dbraw/zinc/26/14/33/1349261433.db2.gz XEXSUNRGSFOMDW-YUMQZZPRSA-N -1 3 338.368 2.244 20 5 EEBDHM CCC(C)(C)OCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590379045 1349293422 /nfs/dbraw/zinc/29/34/22/1349293422.db2.gz OOMYIJXVMQANIA-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM CCC(C)(C)OCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590379045 1349293432 /nfs/dbraw/zinc/29/34/32/1349293432.db2.gz OOMYIJXVMQANIA-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM CC[C@H](C)[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590401803 1349305191 /nfs/dbraw/zinc/30/51/91/1349305191.db2.gz XGCKFABAVBXFSA-SDBXPKJASA-N -1 3 338.343 2.387 20 5 EEBDHM CC[C@H](C)[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590401803 1349305194 /nfs/dbraw/zinc/30/51/94/1349305194.db2.gz XGCKFABAVBXFSA-SDBXPKJASA-N -1 3 338.343 2.387 20 5 EEBDHM CCc1nnc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001590933396 1349419697 /nfs/dbraw/zinc/41/96/97/1349419697.db2.gz QKIUUZZPYLYGJJ-UHFFFAOYSA-N -1 3 349.401 2.481 20 5 EEBDHM CCc1nnc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001590933396 1349419701 /nfs/dbraw/zinc/41/97/01/1349419701.db2.gz QKIUUZZPYLYGJJ-UHFFFAOYSA-N -1 3 349.401 2.481 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC001591730067 1349536960 /nfs/dbraw/zinc/53/69/60/1349536960.db2.gz QMQCGGOYZXAAMJ-SSDOTTSWSA-N -1 3 344.310 2.064 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC001591730067 1349536967 /nfs/dbraw/zinc/53/69/67/1349536967.db2.gz QMQCGGOYZXAAMJ-SSDOTTSWSA-N -1 3 344.310 2.064 20 5 EEBDHM Cc1cc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc(C)c1O ZINC001591970138 1349572139 /nfs/dbraw/zinc/57/21/39/1349572139.db2.gz IGUIOCRUZWILMP-UHFFFAOYSA-N -1 3 341.331 2.104 20 5 EEBDHM Cc1cc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc(C)c1O ZINC001591970138 1349572147 /nfs/dbraw/zinc/57/21/47/1349572147.db2.gz IGUIOCRUZWILMP-UHFFFAOYSA-N -1 3 341.331 2.104 20 5 EEBDHM O=C(COc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001592899673 1349725650 /nfs/dbraw/zinc/72/56/50/1349725650.db2.gz PUAIYPDPWDYOGC-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM O=C(COc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001592899673 1349725652 /nfs/dbraw/zinc/72/56/52/1349725652.db2.gz PUAIYPDPWDYOGC-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001593473139 1349806799 /nfs/dbraw/zinc/80/67/99/1349806799.db2.gz MQNLZZYFBXODRP-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001593473139 1349806807 /nfs/dbraw/zinc/80/68/07/1349806807.db2.gz MQNLZZYFBXODRP-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001593487535 1349815840 /nfs/dbraw/zinc/81/58/40/1349815840.db2.gz ZWKRZKQYVTZSDL-UHFFFAOYSA-N -1 3 325.332 2.299 20 5 EEBDHM COC(=O)[C@@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604902629 1351028637 /nfs/dbraw/zinc/02/86/37/1351028637.db2.gz NKTFVACWDCPQGV-GFCCVEGCSA-N -1 3 348.363 2.165 20 5 EEBDHM COC(=O)[C@@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604902629 1351028641 /nfs/dbraw/zinc/02/86/41/1351028641.db2.gz NKTFVACWDCPQGV-GFCCVEGCSA-N -1 3 348.363 2.165 20 5 EEBDHM Cc1cc(NC[C@@H]2CCC(C)(C)O2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605732033 1351220089 /nfs/dbraw/zinc/22/00/89/1351220089.db2.gz SSYULPNJMPCTRY-JTQLQIEISA-N -1 3 332.364 2.453 20 5 EEBDHM Cc1cc(NC[C@@H]2CCC(C)(C)O2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605732033 1351220093 /nfs/dbraw/zinc/22/00/93/1351220093.db2.gz SSYULPNJMPCTRY-JTQLQIEISA-N -1 3 332.364 2.453 20 5 EEBDHM Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC001605825121 1351229597 /nfs/dbraw/zinc/22/95/97/1351229597.db2.gz LWHZJCKGLINBJR-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC001605825121 1351229599 /nfs/dbraw/zinc/22/95/99/1351229599.db2.gz LWHZJCKGLINBJR-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ncccc1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001606098348 1351270672 /nfs/dbraw/zinc/27/06/72/1351270672.db2.gz QVVCCQFTBJQOML-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1ncccc1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001606098348 1351270675 /nfs/dbraw/zinc/27/06/75/1351270675.db2.gz QVVCCQFTBJQOML-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1cccc(O)c1 ZINC001607077917 1351407922 /nfs/dbraw/zinc/40/79/22/1351407922.db2.gz VHBFWZQINHFARY-UHFFFAOYSA-N -1 3 330.279 2.232 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1cccc(O)c1 ZINC001607077917 1351407924 /nfs/dbraw/zinc/40/79/24/1351407924.db2.gz VHBFWZQINHFARY-UHFFFAOYSA-N -1 3 330.279 2.232 20 5 EEBDHM O=[N+]([O-])c1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001607082131 1351410327 /nfs/dbraw/zinc/41/03/27/1351410327.db2.gz LUFJPDLWRNEAGK-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM O=[N+]([O-])c1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001607082131 1351410329 /nfs/dbraw/zinc/41/03/29/1351410329.db2.gz LUFJPDLWRNEAGK-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM CCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000067660235 1354103855 /nfs/dbraw/zinc/10/38/55/1354103855.db2.gz CJVKYZFYHJJEDF-UHFFFAOYSA-N -1 3 345.237 2.383 20 5 EEBDHM CCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000067660235 1354103857 /nfs/dbraw/zinc/10/38/57/1354103857.db2.gz CJVKYZFYHJJEDF-UHFFFAOYSA-N -1 3 345.237 2.383 20 5 EEBDHM Cc1cccc2c1CCN(c1ncc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001592244200 1404013898 /nfs/dbraw/zinc/01/38/98/1404013898.db2.gz OWKXMGGVNDAMCV-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM Cc1cccc2c1CCN(c1ncc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001592244200 1404013900 /nfs/dbraw/zinc/01/39/00/1404013900.db2.gz OWKXMGGVNDAMCV-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM CCc1occc1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110115806 790371726 /nfs/dbraw/zinc/37/17/26/790371726.db2.gz GUNKKJYRONPYLO-UHFFFAOYSA-N -1 3 346.343 2.225 20 5 EEBDHM CC(C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCC1 ZINC001105395933 781904562 /nfs/dbraw/zinc/90/45/62/781904562.db2.gz KFZDGESYHOXUQC-UHFFFAOYSA-N -1 3 334.376 2.090 20 5 EEBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000821765804 786878075 /nfs/dbraw/zinc/87/80/75/786878075.db2.gz LDRFFZPYZUTKOF-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1[N+](=O)[O-] ZINC000821765804 786878080 /nfs/dbraw/zinc/87/80/80/786878080.db2.gz LDRFFZPYZUTKOF-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM C[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824723653 788287681 /nfs/dbraw/zinc/28/76/81/788287681.db2.gz TWBKMEHUFGQGDR-QMMMGPOBSA-N -1 3 328.288 2.021 20 5 EEBDHM C[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824723653 788287691 /nfs/dbraw/zinc/28/76/91/788287691.db2.gz TWBKMEHUFGQGDR-QMMMGPOBSA-N -1 3 328.288 2.021 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc2c1CCC2 ZINC001093694249 795589273 /nfs/dbraw/zinc/58/92/73/795589273.db2.gz AUJZROCIQZUNJW-UHFFFAOYSA-N -1 3 342.355 2.026 20 5 EEBDHM CCc1ccccc1CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093949005 795807899 /nfs/dbraw/zinc/80/78/99/795807899.db2.gz OSTCXRCYVQMIRN-UHFFFAOYSA-N -1 3 344.371 2.029 20 5 EEBDHM CC(C)c1[nH]ccc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094715138 796523349 /nfs/dbraw/zinc/52/33/49/796523349.db2.gz VMNKRNOTVKPRPI-UHFFFAOYSA-N -1 3 347.375 2.379 20 5 EEBDHM CC/C(C)=C\C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095226358 797543047 /nfs/dbraw/zinc/54/30/47/797543047.db2.gz GLJOTDFEGTYDLY-KHPPLWFESA-N -1 3 334.376 2.455 20 5 EEBDHM Cc1cscc1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110094938 809607345 /nfs/dbraw/zinc/60/73/45/809607345.db2.gz CWSMNOVIBBUMAH-UHFFFAOYSA-N -1 3 348.384 2.440 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001544666143 1124162590 /nfs/dbraw/zinc/16/25/90/1124162590.db2.gz RGHBLLPFFRFPKY-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001544666143 1124162593 /nfs/dbraw/zinc/16/25/93/1124162593.db2.gz RGHBLLPFFRFPKY-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)cc1C ZINC000182481255 201032892 /nfs/dbraw/zinc/03/28/92/201032892.db2.gz CQBSWDPMFHRBEF-GFCCVEGCSA-N -1 3 344.433 2.287 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000267604107 256071911 /nfs/dbraw/zinc/07/19/11/256071911.db2.gz FYZNKSRJJUXUFF-NXEZZACHSA-N -1 3 348.808 2.260 20 5 EEBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000274036608 256348425 /nfs/dbraw/zinc/34/84/25/256348425.db2.gz XIAZZAORASUWJM-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000343943795 161182597 /nfs/dbraw/zinc/18/25/97/161182597.db2.gz ACNPEIHZGBXJOA-UFBFGSQYSA-N -1 3 334.781 2.094 20 5 EEBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346316912 161362496 /nfs/dbraw/zinc/36/24/96/161362496.db2.gz BPSFXVXGOXKXEY-UHFFFAOYSA-N -1 3 344.345 2.451 20 5 EEBDHM Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[n-]c(=O)n1 ZINC000352141592 162082912 /nfs/dbraw/zinc/08/29/12/162082912.db2.gz SAPKWLATWICGFH-UHFFFAOYSA-N -1 3 330.344 2.152 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000360358323 164291356 /nfs/dbraw/zinc/29/13/56/164291356.db2.gz AFPHFGNRZLOOJR-GHMZBOCLSA-N -1 3 328.390 2.318 20 5 EEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000360667401 164360602 /nfs/dbraw/zinc/36/06/02/164360602.db2.gz XCMPHAIJDZSNMN-VHSXEESVSA-N -1 3 347.824 2.009 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157723425 292571943 /nfs/dbraw/zinc/57/19/43/292571943.db2.gz CZOAJEBEXWDCAY-AAEUAGOBSA-N -1 3 328.390 2.139 20 5 EEBDHM CCOc1cc(-c2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)ccc1[O-] ZINC000278115446 269208843 /nfs/dbraw/zinc/20/88/43/269208843.db2.gz QQBOQWMXDLFLLH-UHFFFAOYSA-N -1 3 345.315 2.458 20 5 EEBDHM 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CN(Cc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821614551 599223065 /nfs/dbraw/zinc/22/30/65/599223065.db2.gz KKVDHBSROCJLHR-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825458 607436792 /nfs/dbraw/zinc/43/67/92/607436792.db2.gz CLXUHEOXAZNLSW-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825458 607436793 /nfs/dbraw/zinc/43/67/93/607436793.db2.gz CLXUHEOXAZNLSW-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000826258079 607441017 /nfs/dbraw/zinc/44/10/17/607441017.db2.gz YOODLEBADPMAOM-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000826258079 607441019 /nfs/dbraw/zinc/44/10/19/607441019.db2.gz YOODLEBADPMAOM-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM CC=CC=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825028404 607522403 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20 5 EEBDHM CC(C)[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820044514 606473244 /nfs/dbraw/zinc/47/32/44/606473244.db2.gz GXJFQNHFSVZZFG-HZMBPMFUSA-N -1 3 332.364 2.248 20 5 EEBDHM CC(C)[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820044514 606473245 /nfs/dbraw/zinc/47/32/45/606473245.db2.gz GXJFQNHFSVZZFG-HZMBPMFUSA-N -1 3 332.364 2.248 20 5 EEBDHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820044518 606473275 /nfs/dbraw/zinc/47/32/75/606473275.db2.gz GXJFQNHFSVZZFG-YGRLFVJLSA-N -1 3 332.364 2.248 20 5 EEBDHM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820044518 606473277 /nfs/dbraw/zinc/47/32/77/606473277.db2.gz GXJFQNHFSVZZFG-YGRLFVJLSA-N -1 3 332.364 2.248 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826254974 607875687 /nfs/dbraw/zinc/87/56/87/607875687.db2.gz HLQSLDYTMGDPIA-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cccc(CCCO)c1 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DOZHIGVEYPAATF-LBPRGKRZSA-N -1 3 335.368 2.033 20 5 EEBDHM CCO[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001590785149 1349398531 /nfs/dbraw/zinc/39/85/31/1349398531.db2.gz DOZHIGVEYPAATF-LBPRGKRZSA-N -1 3 335.368 2.033 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nnn[n-]3)cc2F)c(F)c1F ZINC001593479506 1349812171 /nfs/dbraw/zinc/81/21/71/1349812171.db2.gz HRLRAWILVOCRIL-UHFFFAOYSA-N -1 3 338.205 2.380 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nn[n-]n3)cc2F)c(F)c1F ZINC001593479506 1349812177 /nfs/dbraw/zinc/81/21/77/1349812177.db2.gz HRLRAWILVOCRIL-UHFFFAOYSA-N -1 3 338.205 2.380 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2ccc(F)cc2-c2nnn[n-]2)nc1C1CC1 ZINC001593486215 1349814989 /nfs/dbraw/zinc/81/49/89/1349814989.db2.gz MYGHFFCCOCTSHK-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2ccc(F)cc2-c2nn[n-]n2)nc1C1CC1 ZINC001593486215 1349814994 /nfs/dbraw/zinc/81/49/94/1349814994.db2.gz MYGHFFCCOCTSHK-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CCC3(CCC3)O2)c(-c2nnn[n-]2)c1 ZINC001593485028 1349815322 /nfs/dbraw/zinc/81/53/22/1349815322.db2.gz OCIINZRTASGJBO-LLVKDONJSA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CCC3(CCC3)O2)c(-c2nn[n-]n2)c1 ZINC001593485028 1349815326 /nfs/dbraw/zinc/81/53/26/1349815326.db2.gz OCIINZRTASGJBO-LLVKDONJSA-N -1 3 345.363 2.074 20 5 EEBDHM CC(C)(C)c1nc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n[nH]1 ZINC001603125283 1350646306 /nfs/dbraw/zinc/64/63/06/1350646306.db2.gz HCAKETZKFFBVOO-UHFFFAOYSA-N -1 3 346.376 2.342 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603231404 1350667068 /nfs/dbraw/zinc/66/70/68/1350667068.db2.gz UHGZUSLFUNWGRD-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCC[C@H]1O ZINC001603807233 1350772941 /nfs/dbraw/zinc/77/29/41/1350772941.db2.gz OTGBMIUCPJCNJZ-HIFRSBDPSA-N -1 3 332.364 2.128 20 5 EEBDHM CN(CCCF)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 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/nfs/dbraw/zinc/69/35/38/1404693538.db2.gz PUUATAYTLMDWKR-UHFFFAOYSA-N -1 3 329.320 2.034 20 5 EEBDHM Cc1noc(C)c1C[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592458083 1404694926 /nfs/dbraw/zinc/69/49/26/1404694926.db2.gz WJBBEXVMBFHSJV-QMMMGPOBSA-N -1 3 343.347 2.423 20 5 EEBDHM Cc1ccc(NCCNC(=O)c2cccc3n[n-]nc32)c([N+](=O)[O-])c1 ZINC001093899227 795794809 /nfs/dbraw/zinc/79/48/09/795794809.db2.gz PVEAEWPLZMEUSL-UHFFFAOYSA-N -1 3 340.343 2.016 20 5 EEBDHM CCCSCC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106692651 796115077 /nfs/dbraw/zinc/11/50/77/796115077.db2.gz ZYSIGWBPWPGGRH-UHFFFAOYSA-N -1 3 342.421 2.099 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(CF)cc1 ZINC001094468766 796241269 /nfs/dbraw/zinc/24/12/69/796241269.db2.gz JBXUNVMVSJYLEJ-UHFFFAOYSA-N -1 3 348.334 2.397 20 5 EEBDHM CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CC1 ZINC000917934503 798421108 /nfs/dbraw/zinc/42/11/08/798421108.db2.gz NNCDJMOUZRGTHE-UHFFFAOYSA-N -1 3 343.387 2.317 20 5 EEBDHM CC(C)=C(F)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109427382 805447608 /nfs/dbraw/zinc/44/76/08/805447608.db2.gz CCJLYFJXDWAUKO-UHFFFAOYSA-N -1 3 326.328 2.219 20 5 EEBDHM O=C([N-]c1cccc2nonc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000808799561 812858345 /nfs/dbraw/zinc/85/83/45/812858345.db2.gz YCHFIDMRXYTAJA-UHFFFAOYSA-N -1 3 328.240 2.112 20 5 EEBDHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001589605684 949260641 /nfs/dbraw/zinc/26/06/41/949260641.db2.gz UYPRWDXZWPEKEZ-PXAZEXFGSA-N -1 3 349.387 2.499 20 5 EEBDHM O=C([O-])C1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001605993913 973058540 /nfs/dbraw/zinc/05/85/40/973058540.db2.gz LUHAHWOWSIZAOG-UHFFFAOYSA-N -1 3 342.779 2.344 20 5 EEBDHM Cn1ncc(C(=O)[O-])c1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001605549630 973761451 /nfs/dbraw/zinc/76/14/51/973761451.db2.gz DYDQYOYCSKJHJL-ZDUSSCGKSA-N -1 3 344.371 2.406 20 5 EEBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000194009057 240398315 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468820251 /nfs/dbraw/zinc/82/02/51/468820251.db2.gz WQIFQEMANFDDTA-UHFFFAOYSA-N -1 3 346.430 2.167 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000614539543 468967871 /nfs/dbraw/zinc/96/78/71/468967871.db2.gz OMTSVVATTHYAGE-MRVPVSSYSA-N -1 3 332.353 2.067 20 5 EEBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccncc2Cl)c1[N+](=O)[O-] ZINC000599103504 469120381 /nfs/dbraw/zinc/12/03/81/469120381.db2.gz UOSLQKQFBDBYPS-VIFPVBQESA-N -1 3 338.751 2.007 20 5 EEBDHM O=C(c1ccoc1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596072179 469140358 /nfs/dbraw/zinc/14/03/58/469140358.db2.gz YTXIGMOKAQKWGR-UHFFFAOYSA-N -1 3 332.316 2.005 20 5 EEBDHM O=c1[n-]ccc(NCCNc2nccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000596134011 469170483 /nfs/dbraw/zinc/17/04/83/469170483.db2.gz IUEJFPZLRXMPIN-UHFFFAOYSA-N -1 3 344.253 2.028 20 5 EEBDHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599531016 469285533 /nfs/dbraw/zinc/28/55/33/469285533.db2.gz DRSSQEFLGBKSAG-GFCCVEGCSA-N -1 3 342.355 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ZINC000826276371 608291562 /nfs/dbraw/zinc/29/15/62/608291562.db2.gz CTSKROIGBWONIR-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000824647645 609386459 /nfs/dbraw/zinc/38/64/59/609386459.db2.gz AOSKPPUCKUUEDQ-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000824647645 609386462 /nfs/dbraw/zinc/38/64/62/609386462.db2.gz AOSKPPUCKUUEDQ-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM NC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000777921640 1206568647 /nfs/dbraw/zinc/56/86/47/1206568647.db2.gz BAMVOBVLVZFRMR-CYBMUJFWSA-N -1 3 349.293 2.029 20 5 EEBDHM Cn1cc2cccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)c2n1 ZINC001212935725 1214666391 /nfs/dbraw/zinc/66/63/91/1214666391.db2.gz JUSYPAISNMRQJQ-UHFFFAOYSA-N -1 3 338.283 2.299 20 5 EEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000796207544 1215514770 /nfs/dbraw/zinc/51/47/70/1215514770.db2.gz 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/nfs/dbraw/zinc/75/18/19/462751819.db2.gz RELAJNAFHFWTJC-UHOFOFEASA-N -1 3 330.365 2.211 20 5 EEBDHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1[O-] ZINC000066635816 462914727 /nfs/dbraw/zinc/91/47/27/462914727.db2.gz IQAWUMQDIGVORR-UHFFFAOYSA-N -1 3 334.259 2.478 20 5 EEBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000156819433 463071627 /nfs/dbraw/zinc/07/16/27/463071627.db2.gz DSRBZEUHFKWHKP-UHFFFAOYSA-N -1 3 342.417 2.388 20 5 EEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000157010654 463089632 /nfs/dbraw/zinc/08/96/32/463089632.db2.gz NYAPRIWESMFAMV-UHFFFAOYSA-N -1 3 348.384 2.247 20 5 EEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000069129491 463211124 /nfs/dbraw/zinc/21/11/24/463211124.db2.gz WHQKMHRFMURIFM-VIFPVBQESA-N -1 3 347.824 2.009 20 5 EEBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000032468586 463377869 /nfs/dbraw/zinc/37/78/69/463377869.db2.gz RIMVNZJKMFIMRA-UHFFFAOYSA-N -1 3 349.368 2.032 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1 ZINC000152214531 463662306 /nfs/dbraw/zinc/66/23/06/463662306.db2.gz IOEYOZNMJRVROY-JGZJWPJOSA-N -1 3 348.808 2.078 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)cc1C ZINC000152252429 463667625 /nfs/dbraw/zinc/66/76/25/463667625.db2.gz FDUCGYWMEMKTSE-BETUJISGSA-N -1 3 342.417 2.041 20 5 EEBDHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000179215352 464083992 /nfs/dbraw/zinc/08/39/92/464083992.db2.gz NPCYOTLZLNFKJP-NSHDSACASA-N -1 3 338.389 2.412 20 5 EEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(OC)ncn2)cc1OC ZINC000270014636 464159725 /nfs/dbraw/zinc/15/97/25/464159725.db2.gz SPGLBSHYKVBPNX-UHFFFAOYSA-N -1 3 348.315 2.053 20 5 EEBDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000271880209 464398943 /nfs/dbraw/zinc/39/89/43/464398943.db2.gz UTJODTPAUBZNLX-GFCCVEGCSA-N -1 3 342.417 2.062 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c([N+](=O)[O-])c1 ZINC000339783666 465509899 /nfs/dbraw/zinc/50/98/99/465509899.db2.gz MOMOSOITDYPIEW-UHFFFAOYSA-N -1 3 340.401 2.462 20 5 EEBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000362344426 465666571 /nfs/dbraw/zinc/66/65/71/465666571.db2.gz FIVFPEXYIDGLJA-UHFFFAOYSA-N -1 3 338.341 2.406 20 5 EEBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000337985729 465730453 /nfs/dbraw/zinc/73/04/53/465730453.db2.gz VOBZJESANRJXPB-CYBMUJFWSA-N -1 3 348.396 2.463 20 5 EEBDHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000361918510 466405514 /nfs/dbraw/zinc/40/55/14/466405514.db2.gz IJICZIFPYVRVDK-UHFFFAOYSA-N -1 3 330.300 2.215 20 5 EEBDHM CN1CC[C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000569489871 468499423 /nfs/dbraw/zinc/49/94/23/468499423.db2.gz XDZAZBCPWZNBEH-TVQRCGJNSA-N -1 3 339.779 2.120 20 5 EEBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000436566583 467544877 /nfs/dbraw/zinc/54/48/77/467544877.db2.gz QLPVQCKLGOQJAK-UHFFFAOYSA-N -1 3 345.330 2.402 20 5 EEBDHM Cc1nn(Cc2cn(-c3ccc([O-])cc3[N+](=O)[O-])nn2)c(C)c1C ZINC000594652842 468643872 /nfs/dbraw/zinc/64/38/72/468643872.db2.gz PLICXVUAZLTZBI-UHFFFAOYSA-N -1 3 328.332 2.051 20 5 EEBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594779115 468682904 /nfs/dbraw/zinc/68/29/04/468682904.db2.gz LUILSKSRGNDVIH-MNOVXSKESA-N -1 3 335.385 2.467 20 5 EEBDHM COc1ccc(OCCN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000573000460 469039237 /nfs/dbraw/zinc/03/92/37/469039237.db2.gz DEZNQFPPLJYVHK-AAEUAGOBSA-N -1 3 338.360 2.025 20 5 EEBDHM O=c1[n-]ccc(N2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596063601 469134448 /nfs/dbraw/zinc/13/44/48/469134448.db2.gz VURBEQKFNUQFTL-UHFFFAOYSA-N -1 3 328.372 2.060 20 5 EEBDHM O=c1[n-]ccc(N2CCC(Oc3ncccc3F)CC2)c1[N+](=O)[O-] ZINC000596213771 469205974 /nfs/dbraw/zinc/20/59/74/469205974.db2.gz FMKLNGQJRPAUNF-UHFFFAOYSA-N -1 3 334.307 2.277 20 5 EEBDHM O=c1[n-]ccc(NCc2ccncc2OC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000596235122 469216111 /nfs/dbraw/zinc/21/61/11/469216111.db2.gz HWVVRYNACCWHBU-NSHDSACASA-N -1 3 346.343 2.118 20 5 EEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(=O)[n-]cnc2C1 ZINC000612032886 469370811 /nfs/dbraw/zinc/37/08/11/469370811.db2.gz MVHHZINZUQBVJZ-UHFFFAOYSA-N -1 3 349.734 2.334 20 5 EEBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(OC)n1 ZINC000604471863 469480544 /nfs/dbraw/zinc/48/05/44/469480544.db2.gz ZZMVGDAVPPFLCT-UHFFFAOYSA-N -1 3 343.299 2.136 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000619472839 469618736 /nfs/dbraw/zinc/61/87/36/469618736.db2.gz HQLWXFYTVHWPBU-QWRGUYRKSA-N -1 3 328.390 2.460 20 5 EEBDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445739826 536113221 /nfs/dbraw/zinc/11/32/21/536113221.db2.gz CWNBMKPUURAZQC-UHFFFAOYSA-N -1 3 347.824 2.011 20 5 EEBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763721757 577725305 /nfs/dbraw/zinc/72/53/05/577725305.db2.gz WSVLACMRPSVIIS-UHFFFAOYSA-N -1 3 325.660 2.264 20 5 EEBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000755413469 577824882 /nfs/dbraw/zinc/82/48/82/577824882.db2.gz UWCBJZQMUXVSJT-UHFFFAOYSA-N -1 3 346.727 2.088 20 5 EEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000755413469 577824883 /nfs/dbraw/zinc/82/48/83/577824883.db2.gz UWCBJZQMUXVSJT-UHFFFAOYSA-N -1 3 346.727 2.088 20 5 EEBDHM O=C([N-]CCOc1ccc([N+](=O)[O-])cc1)C(F)(F)c1nccs1 ZINC000756681552 577848422 /nfs/dbraw/zinc/84/84/22/577848422.db2.gz AGFCFOODWOOBSW-UHFFFAOYSA-N -1 3 343.311 2.338 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000737116822 578238833 /nfs/dbraw/zinc/23/88/33/578238833.db2.gz ROHHKYMAGQQPLH-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737116822 578238834 /nfs/dbraw/zinc/23/88/34/578238834.db2.gz ROHHKYMAGQQPLH-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM CC(C)Cn1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000820108938 599083888 /nfs/dbraw/zinc/08/38/88/599083888.db2.gz VWYCRHAKMSOORE-UHFFFAOYSA-N -1 3 328.336 2.371 20 5 EEBDHM CC(C)Cn1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000820108938 599083891 /nfs/dbraw/zinc/08/38/91/599083891.db2.gz VWYCRHAKMSOORE-UHFFFAOYSA-N -1 3 328.336 2.371 20 5 EEBDHM CO[C@@]1(C)C[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(C)C ZINC000821679000 606061337 /nfs/dbraw/zinc/06/13/37/606061337.db2.gz VTMFSNJMDUSJDQ-CJNGLKHVSA-N -1 3 346.391 2.415 20 5 EEBDHM CO[C@@]1(C)C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC000821679000 606061341 /nfs/dbraw/zinc/06/13/41/606061341.db2.gz VTMFSNJMDUSJDQ-CJNGLKHVSA-N -1 3 346.391 2.415 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822212777 606136237 /nfs/dbraw/zinc/13/62/37/606136237.db2.gz HATGZDZUZLPPHR-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822212777 606136238 /nfs/dbraw/zinc/13/62/38/606136238.db2.gz HATGZDZUZLPPHR-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822271179 606513585 /nfs/dbraw/zinc/51/35/85/606513585.db2.gz PLSGAGPCOJEAOO-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822271179 606513586 /nfs/dbraw/zinc/51/35/86/606513586.db2.gz PLSGAGPCOJEAOO-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000823318774 607244170 /nfs/dbraw/zinc/24/41/70/607244170.db2.gz JQJHZQPZUGWBDS-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000823318774 607244171 /nfs/dbraw/zinc/24/41/71/607244171.db2.gz JQJHZQPZUGWBDS-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255864685 681204450 /nfs/dbraw/zinc/20/44/50/681204450.db2.gz FYEHNYKSSFUABQ-LCYFTJDESA-N -1 3 339.307 2.326 20 5 EEBDHM COC(=O)CCCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000123464979 684797613 /nfs/dbraw/zinc/79/76/13/684797613.db2.gz AWDCLLIOWNYGJO-UHFFFAOYSA-N -1 3 339.329 2.392 20 5 EEBDHM C=C/C(C)=C/CC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105534131 1188146792 /nfs/dbraw/zinc/14/67/92/1188146792.db2.gz WIRJYTLMZWXODI-WUXMJOGZSA-N -1 3 334.376 2.112 20 5 EEBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)c2ccc[nH]2)CC1 ZINC001067236777 1228364621 /nfs/dbraw/zinc/36/46/21/1228364621.db2.gz OMNPSDNCRFDPCZ-UHFFFAOYSA-N -1 3 345.359 2.130 20 5 EEBDHM CN(C(=O)c1ccccc1[O-])C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001042486843 1232086074 /nfs/dbraw/zinc/08/60/74/1232086074.db2.gz FGPCFUNTHKCZKD-UHFFFAOYSA-N -1 3 341.367 2.257 20 5 EEBDHM O=C(NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001046539845 1234920327 /nfs/dbraw/zinc/92/03/27/1234920327.db2.gz GFZGAUGAYRIKBM-AQAXSTTCSA-N -1 3 346.387 2.048 20 5 EEBDHM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)o1 ZINC001046690074 1235077201 /nfs/dbraw/zinc/07/72/01/1235077201.db2.gz DTKHCFKLSYXDDC-XYPYZODXSA-N -1 3 346.343 2.217 20 5 EEBDHM CCc1oc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001101690748 1246130183 /nfs/dbraw/zinc/13/01/83/1246130183.db2.gz OGLQFPFRUKQVQC-UHFFFAOYSA-N -1 3 348.359 2.343 20 5 EEBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCN(C(=O)C(C)(C)C)CC1 ZINC001068676579 1251508927 /nfs/dbraw/zinc/50/89/27/1251508927.db2.gz XIYNYDZBNQZDPR-UHFFFAOYSA-N -1 3 336.392 2.169 20 5 EEBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663315 1301115765 /nfs/dbraw/zinc/11/57/65/1301115765.db2.gz CUHFUFQDMUQONA-JTQLQIEISA-N -1 3 346.299 2.261 20 5 EEBDHM CCc1nc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)cc(=O)[n-]1 ZINC001226476977 1301430239 /nfs/dbraw/zinc/43/02/39/1301430239.db2.gz VPIIVONZUFZVOP-JTQLQIEISA-N -1 3 348.334 2.450 20 5 EEBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2nccn21 ZINC001590206369 1349200126 /nfs/dbraw/zinc/20/01/26/1349200126.db2.gz IUHANUOUJQTURY-LDYMZIIASA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2nccn21 ZINC001590206369 1349200131 /nfs/dbraw/zinc/20/01/31/1349200131.db2.gz IUHANUOUJQTURY-LDYMZIIASA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2nccn21 ZINC001590206366 1349200702 /nfs/dbraw/zinc/20/07/02/1349200702.db2.gz IUHANUOUJQTURY-KWQFWETISA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2nccn21 ZINC001590206366 1349200708 /nfs/dbraw/zinc/20/07/08/1349200708.db2.gz IUHANUOUJQTURY-KWQFWETISA-N -1 3 326.320 2.089 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nccnc2C)c([N+](=O)[O-])s1 ZINC001309825157 1331643652 /nfs/dbraw/zinc/64/36/52/1331643652.db2.gz AMISBSVOVSOCRK-VIFPVBQESA-N -1 3 342.402 2.103 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CSC2)c(Cl)c1 ZINC001309964210 1331649618 /nfs/dbraw/zinc/64/96/18/1331649618.db2.gz RNTCSRHOKVQVOH-UHFFFAOYSA-N -1 3 336.822 2.280 20 5 EEBDHM CC(C)(C)c1nc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n[nH]1 ZINC001609081941 1351834332 /nfs/dbraw/zinc/83/43/32/1351834332.db2.gz WUMQDHOZMDXJNM-UHFFFAOYSA-N -1 3 346.376 2.342 20 5 EEBDHM CC(C)(C)c1nc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n[nH]1 ZINC001609081941 1351834338 /nfs/dbraw/zinc/83/43/38/1351834338.db2.gz WUMQDHOZMDXJNM-UHFFFAOYSA-N -1 3 346.376 2.342 20 5 EEBDHM CCN(CCNC(=O)c1ccccc1[O-])c1ccc([N+](=O)[O-])c(C)n1 ZINC001100448792 1338380824 /nfs/dbraw/zinc/38/08/24/1338380824.db2.gz HXLUOFIDSAROQA-UHFFFAOYSA-N -1 3 344.371 2.260 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCc3cc(F)ccc32)c1-c1nnn[n-]1 ZINC001581909170 1344686634 /nfs/dbraw/zinc/68/66/34/1344686634.db2.gz RXMPFRBKUQSPQF-UHFFFAOYSA-N -1 3 341.306 2.190 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCc3cc(F)ccc32)c1-c1nn[n-]n1 ZINC001581909170 1344686636 /nfs/dbraw/zinc/68/66/36/1344686636.db2.gz RXMPFRBKUQSPQF-UHFFFAOYSA-N -1 3 341.306 2.190 20 5 EEBDHM C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001590008478 1349105337 /nfs/dbraw/zinc/10/53/37/1349105337.db2.gz ZAHTUEZJMLKYND-SNVBAGLBSA-N -1 3 333.348 2.306 20 5 EEBDHM C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001590008478 1349105344 /nfs/dbraw/zinc/10/53/44/1349105344.db2.gz ZAHTUEZJMLKYND-SNVBAGLBSA-N -1 3 333.348 2.306 20 5 EEBDHM C[C@H](c1ccncc1)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590052335 1349131325 /nfs/dbraw/zinc/13/13/25/1349131325.db2.gz XZHKVGXAJMTFMO-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@H](c1ccncc1)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590052335 1349131330 /nfs/dbraw/zinc/13/13/30/1349131330.db2.gz XZHKVGXAJMTFMO-LLVKDONJSA-N -1 3 339.359 2.363 20 5 EEBDHM CC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC=CC1 ZINC001590071581 1349138806 /nfs/dbraw/zinc/13/88/06/1349138806.db2.gz QPWLSWXVIPAMPW-UHFFFAOYSA-N -1 3 329.316 2.174 20 5 EEBDHM CC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC=CC1 ZINC001590071581 1349138812 /nfs/dbraw/zinc/13/88/12/1349138812.db2.gz QPWLSWXVIPAMPW-UHFFFAOYSA-N -1 3 329.316 2.174 20 5 EEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO[C@H]1C1CC1 ZINC001590134903 1349170179 /nfs/dbraw/zinc/17/01/79/1349170179.db2.gz CJLFISZFYJZQCS-HOCLYGCPSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC001590134903 1349170182 /nfs/dbraw/zinc/17/01/82/1349170182.db2.gz CJLFISZFYJZQCS-HOCLYGCPSA-N -1 3 344.375 2.392 20 5 EEBDHM CCn1ccnc1[C@@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590961285 1349425339 /nfs/dbraw/zinc/42/53/39/1349425339.db2.gz UKUXBNDNNVXFKV-MRVPVSSYSA-N -1 3 346.326 2.304 20 5 EEBDHM CCn1ccnc1[C@@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590961285 1349425344 /nfs/dbraw/zinc/42/53/44/1349425344.db2.gz UKUXBNDNNVXFKV-MRVPVSSYSA-N -1 3 346.326 2.304 20 5 EEBDHM COc1ccccc1CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591653106 1349525766 /nfs/dbraw/zinc/52/57/66/1349525766.db2.gz LDPYBLLHIIDQRA-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591653106 1349525770 /nfs/dbraw/zinc/52/57/70/1349525770.db2.gz LDPYBLLHIIDQRA-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM Cc1cc(N2C[C@H](C)OC3(CCC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591999234 1349580663 /nfs/dbraw/zinc/58/06/63/1349580663.db2.gz MLJHLJMZTKYCSK-NSHDSACASA-N -1 3 344.375 2.231 20 5 EEBDHM Cc1cc(N2C[C@H](C)OC3(CCC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591999234 1349580675 /nfs/dbraw/zinc/58/06/75/1349580675.db2.gz MLJHLJMZTKYCSK-NSHDSACASA-N -1 3 344.375 2.231 20 5 EEBDHM Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043458 1349587020 /nfs/dbraw/zinc/58/70/20/1349587020.db2.gz GPWYGMNPSHAVBZ-DCAQKATOSA-N -1 3 332.364 2.309 20 5 EEBDHM Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043458 1349587022 /nfs/dbraw/zinc/58/70/22/1349587022.db2.gz GPWYGMNPSHAVBZ-DCAQKATOSA-N -1 3 332.364 2.309 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001592197811 1349606041 /nfs/dbraw/zinc/60/60/41/1349606041.db2.gz RFRPUPTZQUJOMC-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001592197811 1349606045 /nfs/dbraw/zinc/60/60/45/1349606045.db2.gz RFRPUPTZQUJOMC-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC001593415764 1349798686 /nfs/dbraw/zinc/79/86/86/1349798686.db2.gz OHTJBHYVLJKQKO-UHFFFAOYSA-N -1 3 331.313 2.228 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc2c(c1)OCO2 ZINC001593470852 1349805561 /nfs/dbraw/zinc/80/55/61/1349805561.db2.gz OXANFKPZWAMAOG-UHFFFAOYSA-N -1 3 340.299 2.116 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)OCO2 ZINC001593470852 1349805565 /nfs/dbraw/zinc/80/55/65/1349805565.db2.gz OXANFKPZWAMAOG-UHFFFAOYSA-N -1 3 340.299 2.116 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCC12CCOCC2 ZINC001593475385 1349809066 /nfs/dbraw/zinc/80/90/66/1349809066.db2.gz OVHGKOAMXZFCCB-LBPRGKRZSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCC12CCOCC2 ZINC001593475385 1349809073 /nfs/dbraw/zinc/80/90/73/1349809073.db2.gz OVHGKOAMXZFCCB-LBPRGKRZSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001593476244 1349809142 /nfs/dbraw/zinc/80/91/42/1349809142.db2.gz VIHUWCBHFDHTFC-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001593476244 1349809147 /nfs/dbraw/zinc/80/91/47/1349809147.db2.gz VIHUWCBHFDHTFC-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC001593478954 1349811509 /nfs/dbraw/zinc/81/15/09/1349811509.db2.gz SAOIAMHKDRFKQZ-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC001593478954 1349811515 /nfs/dbraw/zinc/81/15/15/1349811515.db2.gz SAOIAMHKDRFKQZ-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc2ncnc(NCc3ccc(-c4nnn[n-]4)cc3)c21 ZINC001593484607 1349813668 /nfs/dbraw/zinc/81/36/68/1349813668.db2.gz AGFMKHUQVLJKJR-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc2ncnc(NCc3ccc(-c4nn[n-]n4)cc3)c21 ZINC001593484607 1349813675 /nfs/dbraw/zinc/81/36/75/1349813675.db2.gz AGFMKHUQVLJKJR-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001593483756 1349813984 /nfs/dbraw/zinc/81/39/84/1349813984.db2.gz HGNAJWXYSQBZPN-UHFFFAOYSA-N -1 3 326.291 2.434 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001593483756 1349813987 /nfs/dbraw/zinc/81/39/87/1349813987.db2.gz HGNAJWXYSQBZPN-UHFFFAOYSA-N -1 3 326.291 2.434 20 5 EEBDHM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001603180757 1350657014 /nfs/dbraw/zinc/65/70/14/1350657014.db2.gz LEGLBTPKDAVMCQ-KHIZAZIESA-N -1 3 347.371 2.251 20 5 EEBDHM CC(C)CCO[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603283010 1350679044 /nfs/dbraw/zinc/67/90/44/1350679044.db2.gz MFACZMLLYYYLOV-GFCCVEGCSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)CCO[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603283010 1350679046 /nfs/dbraw/zinc/67/90/46/1350679046.db2.gz MFACZMLLYYYLOV-GFCCVEGCSA-N -1 3 346.391 2.416 20 5 EEBDHM COc1ccc(Oc2nc(C)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605305864 1351132060 /nfs/dbraw/zinc/13/20/60/1351132060.db2.gz YZZCNKZOCWOGCF-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1ccc(Oc2nc(C)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605305864 1351132061 /nfs/dbraw/zinc/13/20/61/1351132061.db2.gz YZZCNKZOCWOGCF-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM Cc1ccnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605955456 1351258468 /nfs/dbraw/zinc/25/84/68/1351258468.db2.gz WRGDWOWGSZAMOE-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1ccnc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605955456 1351258473 /nfs/dbraw/zinc/25/84/73/1351258473.db2.gz WRGDWOWGSZAMOE-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1noc(COc2ccc(-c3nnn[n-]3)c(Cl)c2)c1[N+](=O)[O-] ZINC001606133880 1351277737 /nfs/dbraw/zinc/27/77/37/1351277737.db2.gz QNZNAKIFHCYDFV-UHFFFAOYSA-N -1 3 336.695 2.304 20 5 EEBDHM Cc1noc(COc2ccc(-c3nn[n-]n3)c(Cl)c2)c1[N+](=O)[O-] ZINC001606133880 1351277740 /nfs/dbraw/zinc/27/77/40/1351277740.db2.gz QNZNAKIFHCYDFV-UHFFFAOYSA-N -1 3 336.695 2.304 20 5 EEBDHM COC(=O)C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC001606441935 1351302960 /nfs/dbraw/zinc/30/29/60/1351302960.db2.gz GKRSGRUQNVIESB-ZDUSSCGKSA-N -1 3 338.360 2.360 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(Cc2ccoc2)C1 ZINC001607078671 1351407586 /nfs/dbraw/zinc/40/75/86/1351407586.db2.gz BKWNVCPGJDJGES-UHFFFAOYSA-N -1 3 326.316 2.047 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(Cc2ccoc2)C1 ZINC001607078671 1351407587 /nfs/dbraw/zinc/40/75/87/1351407587.db2.gz BKWNVCPGJDJGES-UHFFFAOYSA-N -1 3 326.316 2.047 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCNc1ccccn1 ZINC001607084815 1351411796 /nfs/dbraw/zinc/41/17/96/1351411796.db2.gz ZUOWOFKMEUKXLZ-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCNc1ccccn1 ZINC001607084815 1351411797 /nfs/dbraw/zinc/41/17/97/1351411797.db2.gz ZUOWOFKMEUKXLZ-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000837500231 1372788477 /nfs/dbraw/zinc/78/84/77/1372788477.db2.gz ABSIZCWPKGYEKH-UHFFFAOYSA-N -1 3 333.275 2.464 20 5 EEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001590746488 1403893731 /nfs/dbraw/zinc/89/37/31/1403893731.db2.gz FCKUXVNEPVJXRU-UHFFFAOYSA-N -1 3 347.379 2.073 20 5 EEBDHM Cc1cc(COC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001591971132 1403975545 /nfs/dbraw/zinc/97/55/45/1403975545.db2.gz HMTKECAHKNSFEO-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(COC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001591971132 1403975548 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336.392 2.218 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001107339906 786944218 /nfs/dbraw/zinc/94/42/18/786944218.db2.gz LWELRTRHILZVTM-UPHRSURJSA-N -1 3 346.387 2.216 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(F)CCCC1 ZINC001107399221 787130188 /nfs/dbraw/zinc/13/01/88/787130188.db2.gz RQEMAHZJZPBYTF-ARJAWSKDSA-N -1 3 338.339 2.062 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C2CC2)CCC1 ZINC001107440619 787267016 /nfs/dbraw/zinc/26/70/16/787267016.db2.gz SBTQTTSQWWOQMI-UPHRSURJSA-N -1 3 346.387 2.360 20 5 EEBDHM Cc1cc(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)[nH]1 ZINC001109636320 805811287 /nfs/dbraw/zinc/81/12/87/805811287.db2.gz YGCCEZCKLMGJLM-UHFFFAOYSA-N -1 3 347.375 2.215 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC000824080151 788042477 /nfs/dbraw/zinc/04/24/77/788042477.db2.gz VJZUFZGQVMOODH-OCCSQVGLSA-N -1 3 346.391 2.008 20 5 EEBDHM 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EEBDHM COc1cc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC001604709155 973908783 /nfs/dbraw/zinc/90/87/83/973908783.db2.gz BULQHTRGINSQCF-NWDGAFQWSA-N -1 3 338.335 2.285 20 5 EEBDHM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589443923 986793007 /nfs/dbraw/zinc/79/30/07/986793007.db2.gz GGDWNRBPKDWRJS-PRXAMGSTSA-N -1 3 347.371 2.109 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000055263594 214298182 /nfs/dbraw/zinc/29/81/82/214298182.db2.gz NGHUKLKLTBNOOB-CYBMUJFWSA-N -1 3 348.380 2.185 20 5 EEBDHM CCc1cnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000173813865 529653460 /nfs/dbraw/zinc/65/34/60/529653460.db2.gz HQNHVSYKKVGIPX-UHFFFAOYSA-N -1 3 341.414 2.401 20 5 EEBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000451673523 243200144 /nfs/dbraw/zinc/20/01/44/243200144.db2.gz LAZRTDNBEJNRIW-WCQYABFASA-N -1 3 330.406 2.243 20 5 EEBDHM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O 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347.302 2.116 20 5 EEBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccccc2)n1 ZINC000346650691 161388626 /nfs/dbraw/zinc/38/86/26/161388626.db2.gz PJOLEZMAEWEEHF-UHFFFAOYSA-N -1 3 329.341 2.220 20 5 EEBDHM Cc1cccc([O-])c1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352647692 162227919 /nfs/dbraw/zinc/22/79/19/162227919.db2.gz PRQHBZBNORRCBP-UHFFFAOYSA-N -1 3 343.339 2.367 20 5 EEBDHM CCOc1cc(C(=O)[N-]c2nncn2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356183227 163360666 /nfs/dbraw/zinc/36/06/66/163360666.db2.gz CGSQCTOVVUGXPZ-UHFFFAOYSA-N -1 3 347.331 2.181 20 5 EEBDHM Cc1ncc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000358001433 163810098 /nfs/dbraw/zinc/81/00/98/163810098.db2.gz IKGSPNVIAAAIIQ-UHFFFAOYSA-N -1 3 348.334 2.132 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C ZINC000360545337 164334398 /nfs/dbraw/zinc/33/43/98/164334398.db2.gz RVKVIUWHRNHHOP-LBPRGKRZSA-N -1 3 344.433 2.369 20 5 EEBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000280259235 269343868 /nfs/dbraw/zinc/34/38/68/269343868.db2.gz UAEFORWPAKAZJZ-QMMMGPOBSA-N -1 3 332.715 2.014 20 5 EEBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000288388979 275053326 /nfs/dbraw/zinc/05/33/26/275053326.db2.gz LMGMJMCLFGXUNG-UHFFFAOYSA-N -1 3 334.369 2.075 20 5 EEBDHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000177913220 278737388 /nfs/dbraw/zinc/73/73/88/278737388.db2.gz XQIYRNXCFNEQDZ-ZDUSSCGKSA-N -1 3 343.387 2.282 20 5 EEBDHM O=C([N-]OC[C@H]1CCOC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295425915 293716158 /nfs/dbraw/zinc/71/61/58/293716158.db2.gz NTHWWVCZNZAZEB-QMMMGPOBSA-N -1 3 334.250 2.312 20 5 EEBDHM Cn1cccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000439225611 315070155 /nfs/dbraw/zinc/07/01/55/315070155.db2.gz OKXSRUXOWUBGJM-UHFFFAOYSA-N -1 3 329.765 2.065 20 5 EEBDHM C[C@H](Sc1n[n-]c(CO)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000526068273 317114106 /nfs/dbraw/zinc/11/41/06/317114106.db2.gz ORJNFUCDRSDRAO-ZETCQYMHSA-N -1 3 348.344 2.109 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EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cscc1Cl ZINC001593472344 1349806918 /nfs/dbraw/zinc/80/69/18/1349806918.db2.gz ZLQWKILOXYQVTD-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593479727 1349812088 /nfs/dbraw/zinc/81/20/88/1349812088.db2.gz STBRWONQUWCBDQ-UHFFFAOYSA-N -1 3 337.343 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593479727 1349812091 /nfs/dbraw/zinc/81/20/91/1349812091.db2.gz STBRWONQUWCBDQ-UHFFFAOYSA-N -1 3 337.343 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2Cc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC001593478814 1349812151 /nfs/dbraw/zinc/81/21/51/1349812151.db2.gz YIODORFIPCLPKN-GFCCVEGCSA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2Cc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC001593478814 1349812154 /nfs/dbraw/zinc/81/21/54/1349812154.db2.gz YIODORFIPCLPKN-GFCCVEGCSA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC[C@@H]1C[C@@]12CCOC2 ZINC001593481614 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O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000800209390 1202221215 /nfs/dbraw/zinc/22/12/15/1202221215.db2.gz UAXQTKUUAHZBPE-UHFFFAOYSA-N -1 3 328.284 2.102 20 5 EEBDHM C/C(=C/C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001095394181 1204554225 /nfs/dbraw/zinc/55/42/25/1204554225.db2.gz BSNPDNCZIMSKLV-KHPPLWFESA-N -1 3 346.387 2.137 20 5 EEBDHM CCN(CCCNC(=O)CC(C)(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095958694 1232575450 /nfs/dbraw/zinc/57/54/50/1232575450.db2.gz DAASQBZAMKDJAF-UHFFFAOYSA-N -1 3 346.334 2.073 20 5 EEBDHM O=C(NCCN(c1ncccc1[N+](=O)[O-])C1CC1)c1ccccc1[O-] ZINC001101283535 1245610091 /nfs/dbraw/zinc/61/00/91/1245610091.db2.gz LUAQAMIDMFUDJG-UHFFFAOYSA-N -1 3 342.355 2.094 20 5 EEBDHM C[C@H]1CC[C@H](C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001101701412 1246145294 /nfs/dbraw/zinc/14/52/94/1246145294.db2.gz TXVUYFJQJGVNNW-HAQNSBGRSA-N -1 3 336.392 2.392 20 5 EEBDHM Cc1cc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c(C)[nH]1 ZINC001110366703 1278749842 /nfs/dbraw/zinc/74/98/42/1278749842.db2.gz AHUHTNBZBAQLNE-UHFFFAOYSA-N -1 3 345.359 2.015 20 5 EEBDHM CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1cnn[n-]1 ZINC001189351897 1280279445 /nfs/dbraw/zinc/27/94/45/1280279445.db2.gz PHNTZWZPHFNVLV-UHFFFAOYSA-N -1 3 348.366 2.061 20 5 EEBDHM CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1c[n-]nn1 ZINC001189351897 1280279450 /nfs/dbraw/zinc/27/94/50/1280279450.db2.gz PHNTZWZPHFNVLV-UHFFFAOYSA-N -1 3 348.366 2.061 20 5 EEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000076946847 1280431973 /nfs/dbraw/zinc/43/19/73/1280431973.db2.gz SCDXUEKCLYVLHO-UHFFFAOYSA-N -1 3 344.253 2.050 20 5 EEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000076946847 1280431976 /nfs/dbraw/zinc/43/19/76/1280431976.db2.gz SCDXUEKCLYVLHO-UHFFFAOYSA-N -1 3 344.253 2.050 20 5 EEBDHM CN(CCNC(=O)c1ccccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC001099980949 1299562946 /nfs/dbraw/zinc/56/29/46/1299562946.db2.gz LJNMJEVGUNDUGD-UHFFFAOYSA-N -1 3 333.319 2.306 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc[nH]c1C1CC1 ZINC001101918823 1300022830 /nfs/dbraw/zinc/02/28/30/1300022830.db2.gz GWELPKNVTUAKMO-UHFFFAOYSA-N -1 3 345.359 2.085 20 5 EEBDHM CC(C)OC(=O)N1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225666504 1301117391 /nfs/dbraw/zinc/11/73/91/1301117391.db2.gz JSXVGRGVDSHMOD-UHFFFAOYSA-N -1 3 325.321 2.084 20 5 EEBDHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1 ZINC001226335529 1301362803 /nfs/dbraw/zinc/36/28/03/1301362803.db2.gz IPJOFCUVGASKTG-RYUDHWBXSA-N -1 3 345.359 2.090 20 5 EEBDHM COC(=O)C[C@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690111 1301929950 /nfs/dbraw/zinc/92/99/50/1301929950.db2.gz GCFVJGUIFCUILO-VHSXEESVSA-N -1 3 334.332 2.367 20 5 EEBDHM CCOC(=O)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227743284 1301949270 /nfs/dbraw/zinc/94/92/70/1301949270.db2.gz KOYSJHBQRBVUMU-SECBINFHSA-N -1 3 333.222 2.344 20 5 EEBDHM CCOC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F 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PSEFOVGNAOJPOZ-KOLCDFICSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226477 1349211652 /nfs/dbraw/zinc/21/16/52/1349211652.db2.gz PSEFOVGNAOJPOZ-KOLCDFICSA-N -1 3 331.332 2.254 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001591623947 1349518051 /nfs/dbraw/zinc/51/80/51/1349518051.db2.gz XBAKSEUWTIAZCH-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001591623947 1349518057 /nfs/dbraw/zinc/51/80/57/1349518057.db2.gz XBAKSEUWTIAZCH-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC001593467600 1349803154 /nfs/dbraw/zinc/80/31/54/1349803154.db2.gz DHMLORKYHPDYLI-DOMZBBRYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC001593467600 1349803156 /nfs/dbraw/zinc/80/31/56/1349803156.db2.gz DHMLORKYHPDYLI-DOMZBBRYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@@H]1CCC2(CCC2)O1 ZINC001593471395 1349806937 /nfs/dbraw/zinc/80/69/37/1349806937.db2.gz QJVYHEBZVKLBND-NSHDSACASA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@@H]1CCC2(CCC2)O1 ZINC001593471395 1349806941 /nfs/dbraw/zinc/80/69/41/1349806941.db2.gz QJVYHEBZVKLBND-NSHDSACASA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593471894 1349807280 /nfs/dbraw/zinc/80/72/80/1349807280.db2.gz VTDZOBVNENNTSL-WFASDCNBSA-N -1 3 341.306 2.219 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593471894 1349807282 /nfs/dbraw/zinc/80/72/82/1349807282.db2.gz VTDZOBVNENNTSL-WFASDCNBSA-N -1 3 341.306 2.219 20 5 EEBDHM O=[N+]([O-])c1cc(NCCCO[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474010 1349808223 /nfs/dbraw/zinc/80/82/23/1349808223.db2.gz NNXJSILPAWGZLB-AWEZNQCLSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(-c2nnn[n-]2)c1 ZINC001593478494 1349810704 /nfs/dbraw/zinc/81/07/04/1349810704.db2.gz UGTFYFKNLIYNBK-PUYPPJJSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(-c2nn[n-]n2)c1 ZINC001593478494 1349810708 /nfs/dbraw/zinc/81/07/08/1349810708.db2.gz UGTFYFKNLIYNBK-PUYPPJJSSA-N -1 3 330.348 2.144 20 5 EEBDHM CCC[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604237791 1350900537 /nfs/dbraw/zinc/90/05/37/1350900537.db2.gz AFJCLIRGUOOORL-BXKDBHETSA-N -1 3 331.332 2.254 20 5 EEBDHM CCC[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604237791 1350900538 /nfs/dbraw/zinc/90/05/38/1350900538.db2.gz AFJCLIRGUOOORL-BXKDBHETSA-N -1 3 331.332 2.254 20 5 EEBDHM CN(Cc1cccc(O)c1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604815240 1351014227 /nfs/dbraw/zinc/01/42/27/1351014227.db2.gz CCYARLWVDZDWHB-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM CN(Cc1cccc(O)c1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604815240 1351014228 /nfs/dbraw/zinc/01/42/28/1351014228.db2.gz CCYARLWVDZDWHB-UHFFFAOYSA-N -1 3 326.316 2.117 20 5 EEBDHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001605318351 1351135643 /nfs/dbraw/zinc/13/56/43/1351135643.db2.gz SXGASAYKEVDNBD-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001605318351 1351135646 /nfs/dbraw/zinc/13/56/46/1351135646.db2.gz SXGASAYKEVDNBD-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM Cc1c(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC001605472491 1351165765 /nfs/dbraw/zinc/16/57/65/1351165765.db2.gz KCFSISHZLHRBFS-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1c(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC001605472491 1351165768 /nfs/dbraw/zinc/16/57/68/1351165768.db2.gz KCFSISHZLHRBFS-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nnn[n-]1 ZINC001606482317 1351308226 /nfs/dbraw/zinc/30/82/26/1351308226.db2.gz RIAVSLIZWQZYOB-HJWRWDBZSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nn[n-]n1 ZINC001606482317 1351308228 /nfs/dbraw/zinc/30/82/28/1351308228.db2.gz RIAVSLIZWQZYOB-HJWRWDBZSA-N -1 3 336.311 2.427 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(Cc2ccco2)C1 ZINC001607084186 1351411220 /nfs/dbraw/zinc/41/12/20/1351411220.db2.gz URRIPEIFNGGMPD-UHFFFAOYSA-N -1 3 326.316 2.047 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(Cc2ccco2)C1 ZINC001607084186 1351411224 /nfs/dbraw/zinc/41/12/24/1351411224.db2.gz URRIPEIFNGGMPD-UHFFFAOYSA-N -1 3 326.316 2.047 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)cn1 ZINC001607082780 1351411349 /nfs/dbraw/zinc/41/13/49/1351411349.db2.gz SCLCDNYYMQJGHS-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)cn1 ZINC001607082780 1351411350 /nfs/dbraw/zinc/41/13/50/1351411350.db2.gz SCLCDNYYMQJGHS-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM Cc1ccc(C)c(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592141169 1404004911 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/nfs/dbraw/zinc/81/61/77/947816177.db2.gz CLRWKDBFYCPLAU-VIFPVBQESA-N -1 3 342.315 2.329 20 5 EEBDHM Cc1ccc([C@H](C)OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826283849 947816189 /nfs/dbraw/zinc/81/61/89/947816189.db2.gz CLRWKDBFYCPLAU-VIFPVBQESA-N -1 3 342.315 2.329 20 5 EEBDHM Cc1ccnc(NCCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826314410 947916717 /nfs/dbraw/zinc/91/67/17/947916717.db2.gz VMGTZDYTEBJAKT-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1ccnc(NCCc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826314410 947916724 /nfs/dbraw/zinc/91/67/24/947916724.db2.gz VMGTZDYTEBJAKT-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1ccc(CO)cc1 ZINC000826497388 948411564 /nfs/dbraw/zinc/41/15/64/948411564.db2.gz FVKBQNYGKSZJNS-UHFFFAOYSA-N -1 3 329.341 2.418 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1ccc(CO)cc1 ZINC000826497388 948411568 /nfs/dbraw/zinc/41/15/68/948411568.db2.gz FVKBQNYGKSZJNS-UHFFFAOYSA-N -1 3 329.341 2.418 20 5 EEBDHM CN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001598623109 994041304 /nfs/dbraw/zinc/04/13/04/994041304.db2.gz WOFYHBFKMMNUSB-UHFFFAOYSA-N -1 3 334.376 2.143 20 5 EEBDHM Cc1csc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000056005808 214352451 /nfs/dbraw/zinc/35/24/51/214352451.db2.gz KZLHDKGYXVOCJL-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271268623 256227255 /nfs/dbraw/zinc/22/72/55/256227255.db2.gz NYLBAGKAQVHDAQ-IUCAKERBSA-N -1 3 334.781 2.094 20 5 EEBDHM COc1ccc(OCCN2C[C@H](C(=O)[O-])C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000263126016 152382204 /nfs/dbraw/zinc/38/22/04/152382204.db2.gz CQTUVFGNLOIHNY-NWDGAFQWSA-N -1 3 338.360 2.025 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1C ZINC000121726461 292267509 /nfs/dbraw/zinc/26/75/09/292267509.db2.gz QLZXLTDIUOBGTM-CHWSQXEVSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342492796 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344.371 2.117 20 5 EEBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359704980 164157154 /nfs/dbraw/zinc/15/71/54/164157154.db2.gz DSUXBGJCQBWONB-UHFFFAOYSA-N -1 3 336.329 2.184 20 5 EEBDHM CCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000360158363 164246167 /nfs/dbraw/zinc/24/61/67/164246167.db2.gz RYZDXSVDIAOTMY-UHFFFAOYSA-N -1 3 344.327 2.088 20 5 EEBDHM COc1cc(CN[C@@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000188992272 274035684 /nfs/dbraw/zinc/03/56/84/274035684.db2.gz IYADNAYUYHKEAK-OAHLLOKOSA-N -1 3 346.383 2.311 20 5 EEBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000272477134 274173279 /nfs/dbraw/zinc/17/32/79/274173279.db2.gz GCUKWBXWQNSYPO-VIFPVBQESA-N -1 3 343.330 2.106 20 5 EEBDHM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000287930417 275006926 /nfs/dbraw/zinc/00/69/26/275006926.db2.gz QMHHBPNVDOVQIE-XHDPSFHLSA-N -1 3 344.371 2.117 20 5 EEBDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000360888444 293621077 /nfs/dbraw/zinc/62/10/77/293621077.db2.gz NBDQMRIHFYUTKI-GXTWGEPZSA-N -1 3 342.417 2.448 20 5 EEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000526119990 317121734 /nfs/dbraw/zinc/12/17/34/317121734.db2.gz NTQMEVXZIBDSBP-UHFFFAOYSA-N -1 3 345.746 2.492 20 5 EEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000526119990 317121739 /nfs/dbraw/zinc/12/17/39/317121739.db2.gz NTQMEVXZIBDSBP-UHFFFAOYSA-N -1 3 345.746 2.492 20 5 EEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2n[n-]nc21 ZINC000526119990 317121743 /nfs/dbraw/zinc/12/17/43/317121743.db2.gz NTQMEVXZIBDSBP-UHFFFAOYSA-N -1 3 345.746 2.492 20 5 EEBDHM COc1cc(CNc2ccc(CCO)cc2OC)c([N+](=O)[O-])cc1[O-] ZINC000577736652 320272814 /nfs/dbraw/zinc/27/28/14/320272814.db2.gz VBWACOGNEVYORI-UHFFFAOYSA-N -1 3 348.355 2.465 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C1CCOCC1 ZINC000577869311 320281445 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349.734 2.334 20 5 EEBDHM CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c([O-])c1 ZINC000356320457 465310335 /nfs/dbraw/zinc/31/03/35/465310335.db2.gz KMUQESNVGUDTJD-UHFFFAOYSA-N -1 3 345.311 2.312 20 5 EEBDHM O=C(CNc1ccccc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558473 468272851 /nfs/dbraw/zinc/27/28/51/468272851.db2.gz POIUOSOJWZMMMG-UHFFFAOYSA-N -1 3 327.300 2.227 20 5 EEBDHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)on1 ZINC000065536128 462792476 /nfs/dbraw/zinc/79/24/76/462792476.db2.gz SKLSDOAYOMEMLC-MRVPVSSYSA-N -1 3 337.263 2.214 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c(Cl)c1 ZINC000134035358 462996490 /nfs/dbraw/zinc/99/64/90/462996490.db2.gz OZEMBXVXYKYQJK-JOYOIKCWSA-N -1 3 348.808 2.078 20 5 EEBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000156491076 463030855 /nfs/dbraw/zinc/03/08/55/463030855.db2.gz GGMKFHDOMZUHSS-ZENOOKHLSA-N -1 3 345.399 2.247 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccn1 ZINC000029944074 463280683 /nfs/dbraw/zinc/28/06/83/463280683.db2.gz BWSDAFPXFJIAIZ-UHFFFAOYSA-N -1 3 341.776 2.164 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000071896258 463460530 /nfs/dbraw/zinc/46/05/30/463460530.db2.gz ZJRSJVHCDLMUHU-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000071896258 463460532 /nfs/dbraw/zinc/46/05/32/463460532.db2.gz ZJRSJVHCDLMUHU-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1C ZINC000188931194 464398899 /nfs/dbraw/zinc/39/88/99/464398899.db2.gz KZRAIBNVKGFPOW-STQMWFEESA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1[O-] ZINC000174950756 464471935 /nfs/dbraw/zinc/47/19/35/464471935.db2.gz AWTWOXQURCMULT-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC1(C)C ZINC000175682561 464601604 /nfs/dbraw/zinc/60/16/04/464601604.db2.gz ANISEJLIWJQLQW-CYBMUJFWSA-N -1 3 328.390 2.460 20 5 EEBDHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276249052 464862434 /nfs/dbraw/zinc/86/24/34/464862434.db2.gz RQDNHZBDYZJYQV-JTQLQIEISA-N -1 3 344.389 2.238 20 5 EEBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000177180693 464952264 /nfs/dbraw/zinc/95/22/64/464952264.db2.gz OPCZWVGVQDJPQL-UHFFFAOYSA-N -1 3 341.367 2.258 20 5 EEBDHM CNc1c(C(=O)Nc2nnc(-c3ccco3)[n-]2)cccc1[N+](=O)[O-] ZINC000361219743 465845215 /nfs/dbraw/zinc/84/52/15/465845215.db2.gz GSONIIGDYURFDG-UHFFFAOYSA-N -1 3 328.288 2.267 20 5 EEBDHM CNc1c(C(=O)Nc2nc(-c3ccco3)n[n-]2)cccc1[N+](=O)[O-] ZINC000361219743 465845219 /nfs/dbraw/zinc/84/52/19/465845219.db2.gz GSONIIGDYURFDG-UHFFFAOYSA-N -1 3 328.288 2.267 20 5 EEBDHM CNc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cccc1[N+](=O)[O-] ZINC000361219743 465845225 /nfs/dbraw/zinc/84/52/25/465845225.db2.gz GSONIIGDYURFDG-UHFFFAOYSA-N -1 3 328.288 2.267 20 5 EEBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451985334 467295701 /nfs/dbraw/zinc/29/57/01/467295701.db2.gz WLQLTJGATHMQTR-WCQYABFASA-N -1 3 330.406 2.039 20 5 EEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(CN(C)C)cs2)c1[N+](=O)[O-] ZINC000457308656 467799415 /nfs/dbraw/zinc/79/94/15/467799415.db2.gz HJIXMFPJXPZZOO-UHFFFAOYSA-N -1 3 338.393 2.212 20 5 EEBDHM COC(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000497184298 467874593 /nfs/dbraw/zinc/87/45/93/467874593.db2.gz DOXXEAWZWBHESN-UHFFFAOYSA-N -1 3 332.272 2.126 20 5 EEBDHM COC(=O)c1[n-]cnc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000550104768 468206299 /nfs/dbraw/zinc/20/62/99/468206299.db2.gz ONUKIYFHHMEXLV-UHFFFAOYSA-N -1 3 336.329 2.079 20 5 EEBDHM COC(=O)c1nc[n-]c1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000550104768 468206305 /nfs/dbraw/zinc/20/63/05/468206305.db2.gz ONUKIYFHHMEXLV-UHFFFAOYSA-N -1 3 336.329 2.079 20 5 EEBDHM COc1ccc(OCCN2CCC(C)(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000592399841 468690884 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EEBDHM O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000738374532 578011595 /nfs/dbraw/zinc/01/15/95/578011595.db2.gz QBZJESXMTVUMQI-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=C(COC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000726364423 576257999 /nfs/dbraw/zinc/25/79/99/576257999.db2.gz NYROMXJTFBVPIN-UHFFFAOYSA-N -1 3 346.343 2.031 20 5 EEBDHM O=C(COC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000726364423 576258001 /nfs/dbraw/zinc/25/80/01/576258001.db2.gz NYROMXJTFBVPIN-UHFFFAOYSA-N -1 3 346.343 2.031 20 5 EEBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]OC2CCOCC2)cc1SC ZINC000772707541 577290948 /nfs/dbraw/zinc/29/09/48/577290948.db2.gz UEQPQWPUBMDWEJ-UHFFFAOYSA-N -1 3 342.373 2.166 20 5 EEBDHM O=Cc1ccc(OCC(=O)Nc2ccc([O-])cc2F)c([N+](=O)[O-])c1 ZINC000773681562 577358159 /nfs/dbraw/zinc/35/81/59/577358159.db2.gz XTQVOCPNEMDFIH-UHFFFAOYSA-N -1 3 334.259 2.270 20 5 EEBDHM Cc1cc(F)cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1[N+](=O)[O-] ZINC000775907852 577448443 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340.343 2.229 20 5 EEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823418835 606233194 /nfs/dbraw/zinc/23/31/94/606233194.db2.gz XLHZLKMMIJHNKC-UHFFFAOYSA-N -1 3 348.706 2.113 20 5 EEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823418835 606233195 /nfs/dbraw/zinc/23/31/95/606233195.db2.gz XLHZLKMMIJHNKC-UHFFFAOYSA-N -1 3 348.706 2.113 20 5 EEBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1[N+](=O)[O-] ZINC000820507668 606406857 /nfs/dbraw/zinc/40/68/57/606406857.db2.gz JJSXRQQZDUKJOA-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1[N+](=O)[O-] ZINC000820507668 606406860 /nfs/dbraw/zinc/40/68/60/606406860.db2.gz JJSXRQQZDUKJOA-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM CCCC(=O)N1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2CC1 ZINC001067452065 676540783 /nfs/dbraw/zinc/54/07/83/676540783.db2.gz QJPPHFDIOZFRMN-BETUJISGSA-N -1 3 348.403 2.170 20 5 EEBDHM 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333.300 2.197 20 5 EEBDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1(C)C ZINC001309231198 1331623148 /nfs/dbraw/zinc/62/31/48/1331623148.db2.gz PXSUFWMAVNXGEE-ZWNOBZJWSA-N -1 3 348.446 2.447 20 5 EEBDHM Cc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309739537 1331640217 /nfs/dbraw/zinc/64/02/17/1331640217.db2.gz NOHOWGMBVPRZCZ-UHFFFAOYSA-N -1 3 341.776 2.430 20 5 EEBDHM CC(C)[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001609090869 1351838098 /nfs/dbraw/zinc/83/80/98/1351838098.db2.gz HSFCQCCWIOIUIA-GXFFZTMASA-N -1 3 347.379 2.033 20 5 EEBDHM CC(C)[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001609090869 1351838102 /nfs/dbraw/zinc/83/81/02/1351838102.db2.gz HSFCQCCWIOIUIA-GXFFZTMASA-N -1 3 347.379 2.033 20 5 EEBDHM CN(C(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001609262959 1351914870 /nfs/dbraw/zinc/91/48/70/1351914870.db2.gz GIKLJTBPGOGCSV-UHFFFAOYSA-N -1 3 330.329 2.113 20 5 EEBDHM CN(C(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001609262959 1351914872 /nfs/dbraw/zinc/91/48/72/1351914872.db2.gz GIKLJTBPGOGCSV-UHFFFAOYSA-N -1 3 330.329 2.113 20 5 EEBDHM COc1cc(Oc2ncc([N+](=O)[O-])cc2C)ccc1-c1nnn[n-]1 ZINC001609348281 1351941416 /nfs/dbraw/zinc/94/14/16/1351941416.db2.gz MAUHPMPGFMMTIV-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1cc(Oc2ncc([N+](=O)[O-])cc2C)ccc1-c1nn[n-]n1 ZINC001609348281 1351941420 /nfs/dbraw/zinc/94/14/20/1351941420.db2.gz MAUHPMPGFMMTIV-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609428081 1351973186 /nfs/dbraw/zinc/97/31/86/1351973186.db2.gz DHAAIXQAQXIVHK-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609428081 1351973188 /nfs/dbraw/zinc/97/31/88/1351973188.db2.gz DHAAIXQAQXIVHK-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(CCO)CCCC1 ZINC001609601118 1352031135 /nfs/dbraw/zinc/03/11/35/1352031135.db2.gz AYCRAJWGDMTGJN-UHFFFAOYSA-N -1 3 332.364 2.130 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(CCO)CCCC1 ZINC001609601118 1352031137 /nfs/dbraw/zinc/03/11/37/1352031137.db2.gz AYCRAJWGDMTGJN-UHFFFAOYSA-N -1 3 332.364 2.130 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H](O)c1ccc(F)cc1 ZINC001582804266 1344792858 /nfs/dbraw/zinc/79/28/58/1344792858.db2.gz PCJIAHWYPZGDNO-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H](O)c1ccc(F)cc1 ZINC001582804266 1344792861 /nfs/dbraw/zinc/79/28/61/1344792861.db2.gz PCJIAHWYPZGDNO-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(F)F ZINC001589029772 1348953148 /nfs/dbraw/zinc/95/31/48/1348953148.db2.gz GUBUZOVYRQLXQP-SSDOTTSWSA-N -1 3 341.274 2.109 20 5 EEBDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(F)F ZINC001589029772 1348953151 /nfs/dbraw/zinc/95/31/51/1348953151.db2.gz GUBUZOVYRQLXQP-SSDOTTSWSA-N -1 3 341.274 2.109 20 5 EEBDHM C[C@H](CCO)C1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1 ZINC001589833890 1349052381 /nfs/dbraw/zinc/05/23/81/1349052381.db2.gz WGUGZIDHVSTFQH-LLVKDONJSA-N -1 3 346.391 2.376 20 5 EEBDHM C[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590278084 1349244757 /nfs/dbraw/zinc/24/47/57/1349244757.db2.gz WIMKMROESOAZGW-JTQLQIEISA-N -1 3 329.364 2.186 20 5 EEBDHM C[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590278084 1349244766 /nfs/dbraw/zinc/24/47/66/1349244766.db2.gz WIMKMROESOAZGW-JTQLQIEISA-N -1 3 329.364 2.186 20 5 EEBDHM CCO[C@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C(C)C ZINC001590784820 1349399061 /nfs/dbraw/zinc/39/90/61/1349399061.db2.gz ZFZUYEDFNIFJAY-GFCCVEGCSA-N -1 3 349.395 2.220 20 5 EEBDHM CCO[C@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C(C)C ZINC001590784820 1349399065 /nfs/dbraw/zinc/39/90/65/1349399065.db2.gz ZFZUYEDFNIFJAY-GFCCVEGCSA-N -1 3 349.395 2.220 20 5 EEBDHM CCn1ccnc1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590961814 1349425224 /nfs/dbraw/zinc/42/52/24/1349425224.db2.gz AFNWRNHAUJDFBS-UHFFFAOYSA-N -1 3 331.361 2.284 20 5 EEBDHM CCn1ccnc1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590961814 1349425230 /nfs/dbraw/zinc/42/52/30/1349425230.db2.gz AFNWRNHAUJDFBS-UHFFFAOYSA-N -1 3 331.361 2.284 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592197823 1349605880 /nfs/dbraw/zinc/60/58/80/1349605880.db2.gz RJTRJILANRUEBH-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592197823 1349605890 /nfs/dbraw/zinc/60/58/90/1349605890.db2.gz RJTRJILANRUEBH-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)s1 ZINC001593415498 1349799003 /nfs/dbraw/zinc/79/90/03/1349799003.db2.gz KWYLBEPUHMAIML-UHFFFAOYSA-N -1 3 331.313 2.228 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCC[C@@H]1CCOC1 ZINC001593468235 1349804845 /nfs/dbraw/zinc/80/48/45/1349804845.db2.gz 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593470799 1349806104 /nfs/dbraw/zinc/80/61/04/1349806104.db2.gz MAVJQBLDQBGVJJ-BXUZGUMPSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593470799 1349806108 /nfs/dbraw/zinc/80/61/08/1349806108.db2.gz MAVJQBLDQBGVJJ-BXUZGUMPSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC2(CCC2)CO1 ZINC001593480654 1349813178 /nfs/dbraw/zinc/81/31/78/1349813178.db2.gz KOUHULVRNNXTEM-JTQLQIEISA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC2(CCC2)CO1 ZINC001593480654 1349813183 /nfs/dbraw/zinc/81/31/83/1349813183.db2.gz KOUHULVRNNXTEM-JTQLQIEISA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1ccccc1O ZINC001593483637 1349814138 /nfs/dbraw/zinc/81/41/38/1349814138.db2.gz ZJVADQSYQCRWLA-UHFFFAOYSA-N -1 3 326.316 2.135 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1ccccc1O ZINC001593483637 1349814142 /nfs/dbraw/zinc/81/41/42/1349814142.db2.gz ZJVADQSYQCRWLA-UHFFFAOYSA-N -1 3 326.316 2.135 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001593484189 1349814486 /nfs/dbraw/zinc/81/44/86/1349814486.db2.gz QLEPHZBLYIKHIK-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001593484189 1349814490 /nfs/dbraw/zinc/81/44/90/1349814490.db2.gz QLEPHZBLYIKHIK-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3cc(F)ccc32)c(-c2nnn[n-]2)c1 ZINC001593484901 1349815020 /nfs/dbraw/zinc/81/50/20/1349815020.db2.gz MQUTXXNYEJQNOZ-ZDUSSCGKSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3cc(F)ccc32)c(-c2nn[n-]n2)c1 ZINC001593484901 1349815024 /nfs/dbraw/zinc/81/50/24/1349815024.db2.gz MQUTXXNYEJQNOZ-ZDUSSCGKSA-N -1 3 341.306 2.408 20 5 EEBDHM CC1(C)C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001603762357 1350760295 /nfs/dbraw/zinc/76/02/95/1350760295.db2.gz DHCUPFRGWYWJEM-JTQLQIEISA-N -1 3 347.379 2.176 20 5 EEBDHM CC1(C)C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001603762357 1350760296 /nfs/dbraw/zinc/76/02/96/1350760296.db2.gz DHCUPFRGWYWJEM-JTQLQIEISA-N -1 3 347.379 2.176 20 5 EEBDHM CC1(C)CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])OC1 ZINC001603771543 1350762834 /nfs/dbraw/zinc/76/28/34/1350762834.db2.gz AXPZWDALJSMXRJ-NSHDSACASA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])OC1 ZINC001603771543 1350762839 /nfs/dbraw/zinc/76/28/39/1350762839.db2.gz AXPZWDALJSMXRJ-NSHDSACASA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@H]1C[C@@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603849998 1350782958 /nfs/dbraw/zinc/78/29/58/1350782958.db2.gz AYCYXBTXGIWAIA-QWRGUYRKSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@H]1C[C@@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603849998 1350782966 /nfs/dbraw/zinc/78/29/66/1350782966.db2.gz AYCYXBTXGIWAIA-QWRGUYRKSA-N -1 3 332.364 2.392 20 5 EEBDHM CO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001605025461 1351059815 /nfs/dbraw/zinc/05/98/15/1351059815.db2.gz WWZDVKCOYCDOEG-OLZOCXBDSA-N -1 3 330.348 2.144 20 5 EEBDHM CO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001605025461 1351059819 /nfs/dbraw/zinc/05/98/19/1351059819.db2.gz WWZDVKCOYCDOEG-OLZOCXBDSA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001605884731 1351245901 /nfs/dbraw/zinc/24/59/01/1351245901.db2.gz YMYAAYSQTFXIGF-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001605884731 1351245904 /nfs/dbraw/zinc/24/59/04/1351245904.db2.gz YMYAAYSQTFXIGF-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](CO)c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC001607079770 1351408360 /nfs/dbraw/zinc/40/83/60/1351408360.db2.gz LHRSGLUILBGZJH-ZDUSSCGKSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CC2(CCC2)CO1 ZINC001607078703 1351408417 /nfs/dbraw/zinc/40/84/17/1351408417.db2.gz CNJJEYXOGGFXFO-LLVKDONJSA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC2(CCC2)CO1 ZINC001607078703 1351408421 /nfs/dbraw/zinc/40/84/21/1351408421.db2.gz CNJJEYXOGGFXFO-LLVKDONJSA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCSC(F)(F)F ZINC001607079674 1351408495 /nfs/dbraw/zinc/40/84/95/1351408495.db2.gz OENBCAPOEHBNAX-UHFFFAOYSA-N -1 3 334.283 2.440 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCSC(F)(F)F ZINC001607079674 1351408496 /nfs/dbraw/zinc/40/84/96/1351408496.db2.gz OENBCAPOEHBNAX-UHFFFAOYSA-N -1 3 334.283 2.440 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cn2ccccc2n1 ZINC001607081178 1351409043 /nfs/dbraw/zinc/40/90/43/1351409043.db2.gz AKHPCZMZMSROKK-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cn2ccccc2n1 ZINC001607081178 1351409046 /nfs/dbraw/zinc/40/90/46/1351409046.db2.gz AKHPCZMZMSROKK-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001607082061 1351410096 /nfs/dbraw/zinc/41/00/96/1351410096.db2.gz IKSYTZVCVXINCU-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H](C1CC1)C1CCOCC1 ZINC001607084325 1351410836 /nfs/dbraw/zinc/41/08/36/1351410836.db2.gz ZQUZZEXDUDIRNY-AWEZNQCLSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H](C1CC1)C1CCOCC1 ZINC001607084325 1351410837 /nfs/dbraw/zinc/41/08/37/1351410837.db2.gz ZQUZZEXDUDIRNY-AWEZNQCLSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001607084881 1351411829 /nfs/dbraw/zinc/41/18/29/1351411829.db2.gz DKNDEFWWDKQXTE-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM CN(C)S(=O)(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222780 1368795488 /nfs/dbraw/zinc/79/54/88/1368795488.db2.gz RANKCWBKHQDDEF-UHFFFAOYSA-N -1 3 337.357 2.294 20 5 EEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ncccc1[O-] ZINC000782110937 1371262730 /nfs/dbraw/zinc/26/27/30/1371262730.db2.gz AXBYTWNDBOIJAG-UHFFFAOYSA-N -1 3 332.272 2.175 20 5 EEBDHM Cc1ccoc1CC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109611944 805749612 /nfs/dbraw/zinc/74/96/12/805749612.db2.gz CCCAIMILGDCBDT-UHFFFAOYSA-N -1 3 348.359 2.100 20 5 EEBDHM CC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC=CC1 ZINC001107487026 787387258 /nfs/dbraw/zinc/38/72/58/787387258.db2.gz ZICAWLQQWOHDDA-PLNGDYQASA-N -1 3 332.360 2.136 20 5 EEBDHM C[C@@H]1C[C@@H](CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824883249 788351278 /nfs/dbraw/zinc/35/12/78/788351278.db2.gz FWIXKXOXSNFSBM-MNOVXSKESA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824883249 788351287 /nfs/dbraw/zinc/35/12/87/788351287.db2.gz FWIXKXOXSNFSBM-MNOVXSKESA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H]1CCCN1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000844137845 788872175 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COCCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000737008472 578233005 /nfs/dbraw/zinc/23/30/05/578233005.db2.gz ULKDHJYGAJLIGF-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737283152 578247874 /nfs/dbraw/zinc/24/78/74/578247874.db2.gz NVXQOIKRHFMQFF-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737283152 578247875 /nfs/dbraw/zinc/24/78/75/578247875.db2.gz NVXQOIKRHFMQFF-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000820583826 599042761 /nfs/dbraw/zinc/04/27/61/599042761.db2.gz FPVWVWSXGWQTEP-ZLKJLUDKSA-N -1 3 344.375 2.390 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000820583826 599042763 /nfs/dbraw/zinc/04/27/63/599042763.db2.gz FPVWVWSXGWQTEP-ZLKJLUDKSA-N -1 3 344.375 2.390 20 5 EEBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424911 601533668 /nfs/dbraw/zinc/53/36/68/601533668.db2.gz UUIQRVDVKHPFAB-NRUUGDAUSA-N -1 3 346.343 2.358 20 5 EEBDHM CCC(CC)[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC000825096289 607564457 /nfs/dbraw/zinc/56/44/57/607564457.db2.gz LXIKIBZXJBXORZ-ZDUSSCGKSA-N -1 3 349.395 2.423 20 5 EEBDHM CCC(CC)[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC000825096289 607564458 /nfs/dbraw/zinc/56/44/58/607564458.db2.gz LXIKIBZXJBXORZ-ZDUSSCGKSA-N -1 3 349.395 2.423 20 5 EEBDHM Cc1ccc(-c2nnn[n-]2)c(NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000822214983 607226641 /nfs/dbraw/zinc/22/66/41/607226641.db2.gz HDCBGNPYVSGCIM-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccc(-c2nn[n-]n2)c(NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000822214983 607226642 /nfs/dbraw/zinc/22/66/42/607226642.db2.gz HDCBGNPYVSGCIM-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823112172 607244841 /nfs/dbraw/zinc/24/48/41/607244841.db2.gz TULXNLPPNLCTGI-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823112172 607244842 /nfs/dbraw/zinc/24/48/42/607244842.db2.gz TULXNLPPNLCTGI-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826203782 608868841 /nfs/dbraw/zinc/86/88/41/608868841.db2.gz GBXPOGOYOOWGED-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826203782 608868842 /nfs/dbraw/zinc/86/88/42/608868842.db2.gz GBXPOGOYOOWGED-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM C[C@@H]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC000824915772 609390434 /nfs/dbraw/zinc/39/04/34/609390434.db2.gz IKEDLZBPGLULDV-BMIGLBTASA-N -1 3 329.364 2.186 20 5 EEBDHM C[C@@H]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC000824915772 609390437 /nfs/dbraw/zinc/39/04/37/609390437.db2.gz IKEDLZBPGLULDV-BMIGLBTASA-N -1 3 329.364 2.186 20 5 EEBDHM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000023221210 678855177 /nfs/dbraw/zinc/85/51/77/678855177.db2.gz SLDGXDNWZORYGE-UHFFFAOYSA-N -1 3 348.336 2.078 20 5 EEBDHM COCCO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896843945 685378810 /nfs/dbraw/zinc/37/88/10/685378810.db2.gz HABLOFGSHCPAHP-UHFFFAOYSA-N -1 3 327.095 2.349 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1C=CC=CC=C1 ZINC001059314739 684121530 /nfs/dbraw/zinc/12/15/30/684121530.db2.gz GUAFNIPFOQYVNT-JOCQHMNTSA-N -1 3 342.355 2.053 20 5 EEBDHM Cc1ccsc1C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107049339 1193018308 /nfs/dbraw/zinc/01/83/08/1193018308.db2.gz NOZLSVPYONATCA-NSCUHMNNSA-N -1 3 348.384 2.463 20 5 EEBDHM CC(C)CC(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095334347 1202477339 /nfs/dbraw/zinc/47/73/39/1202477339.db2.gz MXQTWZLKSKCNOJ-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM CC(C)CC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001095995629 1233281747 /nfs/dbraw/zinc/28/17/47/1233281747.db2.gz GJYKIDMPSHSMQY-UHFFFAOYSA-N -1 3 336.392 2.217 20 5 EEBDHM C/C=C(/C)C(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057487099 1243952194 /nfs/dbraw/zinc/95/21/94/1243952194.db2.gz KVMHNCHTGNUQME-JYOAFUTRSA-N -1 3 334.376 2.312 20 5 EEBDHM O=C(NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1cccs1 ZINC001057832025 1247944021 /nfs/dbraw/zinc/94/40/21/1247944021.db2.gz SWFPNRGZLXEPGP-UHFFFAOYSA-N -1 3 348.384 2.156 20 5 EEBDHM O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCC[NH2+]C4)c3c([O-])c1-2 ZINC001218287410 1297622752 /nfs/dbraw/zinc/62/27/52/1297622752.db2.gz YTNBRTQQVKSGPX-SNVBAGLBSA-N -1 3 343.335 2.194 20 5 EEBDHM COC(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228686241 1302380137 /nfs/dbraw/zinc/38/01/37/1302380137.db2.gz MVHZNDSNSFZQAE-CQSZACIVSA-N -1 3 336.275 2.436 20 5 EEBDHM O=C([O-])[C@@H](C[C@@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001608531286 1351710948 /nfs/dbraw/zinc/71/09/48/1351710948.db2.gz FCVPYSMTLNQJSC-WCQYABFASA-N -1 3 328.752 2.360 20 5 EEBDHM C[C@H](O)C[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589998042 1349099938 /nfs/dbraw/zinc/09/99/38/1349099938.db2.gz OVRVJPXKFOSWFP-WCQYABFASA-N -1 3 346.391 2.295 20 5 EEBDHM C[C@H](O)C[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589998042 1349099945 /nfs/dbraw/zinc/09/99/45/1349099945.db2.gz OVRVJPXKFOSWFP-WCQYABFASA-N -1 3 346.391 2.295 20 5 EEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ncc(Cl)s1 ZINC001309825640 1331643491 /nfs/dbraw/zinc/64/34/91/1331643491.db2.gz DHDQNRIKKOCVOU-UHFFFAOYSA-N -1 3 347.805 2.324 20 5 EEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCN(C3CCCC3)CC2)c1 ZINC001608914462 1351792725 /nfs/dbraw/zinc/79/27/25/1351792725.db2.gz RUWKBEOUBXESOI-UHFFFAOYSA-N -1 3 333.388 2.353 20 5 EEBDHM CC(C)(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[N+](=O)[O-] ZINC001609082898 1351834881 /nfs/dbraw/zinc/83/48/81/1351834881.db2.gz KSPUANPAIMAXCT-UHFFFAOYSA-N -1 3 338.755 2.294 20 5 EEBDHM CC(C)(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[N+](=O)[O-] ZINC001609082898 1351834885 /nfs/dbraw/zinc/83/48/85/1351834885.db2.gz KSPUANPAIMAXCT-UHFFFAOYSA-N -1 3 338.755 2.294 20 5 EEBDHM CN(CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609273293 1351917163 /nfs/dbraw/zinc/91/71/63/1351917163.db2.gz CEWAVXZFQFTOOH-UHFFFAOYSA-N -1 3 346.391 2.296 20 5 EEBDHM CN(CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609273293 1351917166 /nfs/dbraw/zinc/91/71/66/1351917166.db2.gz CEWAVXZFQFTOOH-UHFFFAOYSA-N -1 3 346.391 2.296 20 5 EEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cscc1-c1nnn[n-]1 ZINC001609574985 1352022551 /nfs/dbraw/zinc/02/25/51/1352022551.db2.gz IXOXLNXVAYGVDP-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cscc1-c1nn[n-]n1 ZINC001609574985 1352022556 /nfs/dbraw/zinc/02/25/56/1352022556.db2.gz IXOXLNXVAYGVDP-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM CCO[C@H]1C[C@@](NCc2cc(F)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001610028950 1352145051 /nfs/dbraw/zinc/14/50/51/1352145051.db2.gz FZGMXZZBDLUHEH-XJKSGUPXSA-N -1 3 340.351 2.482 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001589105459 1348961075 /nfs/dbraw/zinc/96/10/75/1348961075.db2.gz WLUVHDVBRSYZFB-AWEZNQCLSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001589105459 1348961082 /nfs/dbraw/zinc/96/10/82/1348961082.db2.gz WLUVHDVBRSYZFB-AWEZNQCLSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cccs1 ZINC001589991828 1349097433 /nfs/dbraw/zinc/09/74/33/1349097433.db2.gz SXOXKGAGUFYRON-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cccs1 ZINC001589991828 1349097440 /nfs/dbraw/zinc/09/74/40/1349097440.db2.gz SXOXKGAGUFYRON-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM CO[C@H]1CCC[C@@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591359091 1349470977 /nfs/dbraw/zinc/47/09/77/1349470977.db2.gz ASKOIBRPUJXBHA-OQPBUACISA-N -1 3 336.327 2.141 20 5 EEBDHM CO[C@H]1CCC[C@@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591359091 1349470981 /nfs/dbraw/zinc/47/09/81/1349470981.db2.gz ASKOIBRPUJXBHA-OQPBUACISA-N -1 3 336.327 2.141 20 5 EEBDHM COc1ccc(OCCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001591620757 1349517042 /nfs/dbraw/zinc/51/70/42/1349517042.db2.gz QJGIVUJPJCCQLN-UHFFFAOYSA-N -1 3 341.327 2.405 20 5 EEBDHM COc1ccc(OCCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001591620757 1349517049 /nfs/dbraw/zinc/51/70/49/1349517049.db2.gz QJGIVUJPJCCQLN-UHFFFAOYSA-N -1 3 341.327 2.405 20 5 EEBDHM CSCC1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591697181 1349531290 /nfs/dbraw/zinc/53/12/90/1349531290.db2.gz DMURHVXRTAVCJV-UHFFFAOYSA-N -1 3 335.393 2.115 20 5 EEBDHM CSCC1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591697181 1349531296 /nfs/dbraw/zinc/53/12/96/1349531296.db2.gz DMURHVXRTAVCJV-UHFFFAOYSA-N -1 3 335.393 2.115 20 5 EEBDHM Cc1ccc(F)c(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592173903 1349602272 /nfs/dbraw/zinc/60/22/72/1349602272.db2.gz UYMDLTYZEUCZBH-UHFFFAOYSA-N -1 3 343.322 2.254 20 5 EEBDHM Cc1ccc(F)c(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592173903 1349602275 /nfs/dbraw/zinc/60/22/75/1349602275.db2.gz UYMDLTYZEUCZBH-UHFFFAOYSA-N -1 3 343.322 2.254 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592197355 1349603168 /nfs/dbraw/zinc/60/31/68/1349603168.db2.gz JDVGKDVHNAZWJJ-SECBINFHSA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592197355 1349603171 /nfs/dbraw/zinc/60/31/71/1349603171.db2.gz JDVGKDVHNAZWJJ-SECBINFHSA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592197357 1349603967 /nfs/dbraw/zinc/60/39/67/1349603967.db2.gz JDVGKDVHNAZWJJ-VIFPVBQESA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592197357 1349603974 /nfs/dbraw/zinc/60/39/74/1349603974.db2.gz JDVGKDVHNAZWJJ-VIFPVBQESA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC001592199237 1349605396 /nfs/dbraw/zinc/60/53/96/1349605396.db2.gz MGSVJRYTZHPFTQ-UHFFFAOYSA-N -1 3 344.356 2.075 20 5 EEBDHM Cc1ncc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592408553 1349628488 /nfs/dbraw/zinc/62/84/88/1349628488.db2.gz HOPCJJBJWQNMFX-QMMMGPOBSA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1ncc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592408553 1349628491 /nfs/dbraw/zinc/62/84/91/1349628491.db2.gz HOPCJJBJWQNMFX-QMMMGPOBSA-N -1 3 345.388 2.391 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)=C1CCC1 ZINC001593291296 1349767999 /nfs/dbraw/zinc/76/79/99/1349767999.db2.gz ILWVETHHEJCWDH-UHFFFAOYSA-N -1 3 333.279 2.226 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)=C1CCC1 ZINC001593291296 1349768021 /nfs/dbraw/zinc/76/80/21/1349768021.db2.gz ILWVETHHEJCWDH-UHFFFAOYSA-N -1 3 333.279 2.226 20 5 EEBDHM O=Cc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593415672 1349798969 /nfs/dbraw/zinc/79/89/69/1349798969.db2.gz DJUHHNJLPLEENL-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=Cc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593415672 1349798972 /nfs/dbraw/zinc/79/89/72/1349798972.db2.gz DJUHHNJLPLEENL-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccc2c1OCC2 ZINC001593476209 1349809747 /nfs/dbraw/zinc/80/97/47/1349809747.db2.gz ZWDNLIURJLKCEJ-UHFFFAOYSA-N -1 3 338.327 2.322 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccc2c1OCC2 ZINC001593476209 1349809751 /nfs/dbraw/zinc/80/97/51/1349809751.db2.gz ZWDNLIURJLKCEJ-UHFFFAOYSA-N -1 3 338.327 2.322 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2ccsc2)c(-c2nnn[n-]2)c1 ZINC001593484871 1349815007 /nfs/dbraw/zinc/81/50/07/1349815007.db2.gz LDPRFYJKOXMGSJ-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2ccsc2)c(-c2nn[n-]n2)c1 ZINC001593484871 1349815011 /nfs/dbraw/zinc/81/50/11/1349815011.db2.gz LDPRFYJKOXMGSJ-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM CC(C)SCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603376766 1350698064 /nfs/dbraw/zinc/69/80/64/1350698064.db2.gz FSBBVEDZHNLFAA-UHFFFAOYSA-N -1 3 326.357 2.468 20 5 EEBDHM CC(C)SCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603376766 1350698066 /nfs/dbraw/zinc/69/80/66/1350698066.db2.gz FSBBVEDZHNLFAA-UHFFFAOYSA-N -1 3 326.357 2.468 20 5 EEBDHM C[C@@H]1C[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001603850059 1350782623 /nfs/dbraw/zinc/78/26/23/1350782623.db2.gz BMJPBSKSVTVBQQ-HRDYMLBCSA-N -1 3 336.327 2.139 20 5 EEBDHM C[C@@H]1C[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001603850059 1350782626 /nfs/dbraw/zinc/78/26/26/1350782626.db2.gz BMJPBSKSVTVBQQ-HRDYMLBCSA-N -1 3 336.327 2.139 20 5 EEBDHM CCC[C@@H](CCO)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604145419 1350873016 /nfs/dbraw/zinc/87/30/16/1350873016.db2.gz SQORPGYXTDYYNS-VIFPVBQESA-N -1 3 338.343 2.125 20 5 EEBDHM CCC[C@@H](CCO)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604145419 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YOWWZVGLGDLQSX-NXEZZACHSA-N -1 3 331.332 2.254 20 5 EEBDHM CN(Cc1ccc(Cl)nc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609279002 1351919670 /nfs/dbraw/zinc/91/96/70/1351919670.db2.gz IAVLPXIEPKGVNR-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(Cc1ccc(Cl)nc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609279002 1351919673 /nfs/dbraw/zinc/91/96/73/1351919673.db2.gz IAVLPXIEPKGVNR-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CO[C@@]1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1(C)C ZINC001609312835 1351929306 /nfs/dbraw/zinc/92/93/06/1351929306.db2.gz TVKGBSCTBUVAKG-DOMZBBRYSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@@]1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1(C)C ZINC001609312835 1351929310 /nfs/dbraw/zinc/92/93/10/1351929310.db2.gz TVKGBSCTBUVAKG-DOMZBBRYSA-N -1 3 332.364 2.390 20 5 EEBDHM COc1ccc(C=O)cc1Oc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609354040 1351943115 /nfs/dbraw/zinc/94/31/15/1351943115.db2.gz ICBQVVARDNIXKD-UHFFFAOYSA-N -1 3 341.283 2.388 20 5 EEBDHM COc1ccc(C=O)cc1Oc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609354040 1351943120 /nfs/dbraw/zinc/94/31/20/1351943120.db2.gz ICBQVVARDNIXKD-UHFFFAOYSA-N -1 3 341.283 2.388 20 5 EEBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001580932961 1344573465 /nfs/dbraw/zinc/57/34/65/1344573465.db2.gz BJCHCYLDECUEEZ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001580932961 1344573468 /nfs/dbraw/zinc/57/34/68/1344573468.db2.gz BJCHCYLDECUEEZ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM CC(C)C[C@H](CCO)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589553455 1349003395 /nfs/dbraw/zinc/00/33/95/1349003395.db2.gz ZRGVPBFFULZULT-NSHDSACASA-N -1 3 334.380 2.232 20 5 EEBDHM CC(C)C[C@H](CCO)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589553455 1349003400 /nfs/dbraw/zinc/00/34/00/1349003400.db2.gz ZRGVPBFFULZULT-NSHDSACASA-N -1 3 334.380 2.232 20 5 EEBDHM CC(C)OC1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001589739882 1349027676 /nfs/dbraw/zinc/02/76/76/1349027676.db2.gz SENWBONRIQQRHR-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM CC(C)OC1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001589739882 1349027682 /nfs/dbraw/zinc/02/76/82/1349027682.db2.gz SENWBONRIQQRHR-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1sccc1[N+](=O)[O-] ZINC001591052458 1349434874 /nfs/dbraw/zinc/43/48/74/1349434874.db2.gz BMGISFDEUZVNMF-LBPRGKRZSA-N -1 3 346.372 2.006 20 5 EEBDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1sccc1[N+](=O)[O-] ZINC001591052458 1349434881 /nfs/dbraw/zinc/43/48/81/1349434881.db2.gz BMGISFDEUZVNMF-LBPRGKRZSA-N -1 3 346.372 2.006 20 5 EEBDHM Cc1cc(N2CCC(CCCO)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001198 1349581387 /nfs/dbraw/zinc/58/13/87/1349581387.db2.gz QZNQIWXTLNMJFP-UHFFFAOYSA-N -1 3 346.391 2.072 20 5 EEBDHM Cc1cc(N2CCC(CCCO)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001198 1349581412 /nfs/dbraw/zinc/58/14/12/1349581412.db2.gz QZNQIWXTLNMJFP-UHFFFAOYSA-N -1 3 346.391 2.072 20 5 EEBDHM Cc1cccc(NCCNc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC001592235156 1349613082 /nfs/dbraw/zinc/61/30/82/1349613082.db2.gz CRWVGRHKVHRHBG-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cccc(NCCNc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC001592235156 1349613087 /nfs/dbraw/zinc/61/30/87/1349613087.db2.gz CRWVGRHKVHRHBG-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cccnc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592264037 1349614930 /nfs/dbraw/zinc/61/49/30/1349614930.db2.gz NDCICFZUKDFWLP-SECBINFHSA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1cccnc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592264037 1349614936 /nfs/dbraw/zinc/61/49/36/1349614936.db2.gz NDCICFZUKDFWLP-SECBINFHSA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1nnc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001592440743 1349632764 /nfs/dbraw/zinc/63/27/64/1349632764.db2.gz KHUJPLJURMWCOL-LURJTMIESA-N -1 3 332.349 2.108 20 5 EEBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001593292780 1349768123 /nfs/dbraw/zinc/76/81/23/1349768123.db2.gz ZHRIPQICALPGOD-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001593292780 1349768126 /nfs/dbraw/zinc/76/81/26/1349768126.db2.gz ZHRIPQICALPGOD-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1sccc1-c1nnn[n-]1 ZINC001593300230 1349772875 /nfs/dbraw/zinc/77/28/75/1349772875.db2.gz UTNQNIGFBJDWFN-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593416080 1349799232 /nfs/dbraw/zinc/79/92/32/1349799232.db2.gz VHSZCVWSSQWPBO-UHFFFAOYSA-N -1 3 339.311 2.209 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593416080 1349799235 /nfs/dbraw/zinc/79/92/35/1349799235.db2.gz VHSZCVWSSQWPBO-UHFFFAOYSA-N -1 3 339.311 2.209 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C1CC1)[C@H]1CCCOC1 ZINC001593467602 1349803838 /nfs/dbraw/zinc/80/38/38/1349803838.db2.gz DHMLORKYHPDYLI-SWLSCSKDSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C1CC1)[C@H]1CCCOC1 ZINC001593467602 1349803846 /nfs/dbraw/zinc/80/38/46/1349803846.db2.gz DHMLORKYHPDYLI-SWLSCSKDSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCOC[C@@H](C3CCC3)C2)ccc1-c1nnn[n-]1 ZINC001593471202 1349806692 /nfs/dbraw/zinc/80/66/92/1349806692.db2.gz KTTDWYITOVHYBP-LBPRGKRZSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCCc2cccnc21 ZINC001593473367 1349808329 /nfs/dbraw/zinc/80/83/29/1349808329.db2.gz ZGXWPZVYPDFIQL-NSHDSACASA-N -1 3 338.331 2.054 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCCc2cccnc21 ZINC001593473367 1349808333 /nfs/dbraw/zinc/80/83/33/1349808333.db2.gz ZGXWPZVYPDFIQL-NSHDSACASA-N -1 3 338.331 2.054 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001593484757 1349814157 /nfs/dbraw/zinc/81/41/57/1349814157.db2.gz HQESYNKMGYXODR-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001603688059 1350742636 /nfs/dbraw/zinc/74/26/36/1350742636.db2.gz PTHOPHREEPRLGO-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001603688059 1350742637 /nfs/dbraw/zinc/74/26/37/1350742637.db2.gz PTHOPHREEPRLGO-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]1(F)Cl ZINC001603800588 1350771598 /nfs/dbraw/zinc/77/15/98/1350771598.db2.gz PJSQUKRJUWVORI-VXGBXAGGSA-N -1 3 341.734 2.287 20 5 EEBDHM C[C@@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@]1(F)Cl ZINC001603800588 1350771601 /nfs/dbraw/zinc/77/16/01/1350771601.db2.gz PJSQUKRJUWVORI-VXGBXAGGSA-N -1 3 341.734 2.287 20 5 EEBDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001604650661 1350977344 /nfs/dbraw/zinc/97/73/44/1350977344.db2.gz OWUJVGNZJIULIK-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001604650661 1350977348 /nfs/dbraw/zinc/97/73/48/1350977348.db2.gz OWUJVGNZJIULIK-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM COc1cc(OCc2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)c1 ZINC001605237250 1351112828 /nfs/dbraw/zinc/11/28/28/1351112828.db2.gz ZUMLRQLRKFLGHX-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc(OCc2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)c1 ZINC001605237250 1351112830 /nfs/dbraw/zinc/11/28/30/1351112830.db2.gz ZUMLRQLRKFLGHX-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM O=[N+]([O-])c1cc(CO)c(Oc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC001607078601 1351407488 /nfs/dbraw/zinc/40/74/88/1351407488.db2.gz INJCUDBGTAYOSA-UHFFFAOYSA-N -1 3 349.253 2.338 20 5 EEBDHM O=[N+]([O-])c1cc(CO)c(Oc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC001607078601 1351407492 /nfs/dbraw/zinc/40/74/92/1351407492.db2.gz INJCUDBGTAYOSA-UHFFFAOYSA-N -1 3 349.253 2.338 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC(CC(F)(F)F)C1 ZINC001607078195 1351407851 /nfs/dbraw/zinc/40/78/51/1351407851.db2.gz NRDRXGWUBDUZCC-UHFFFAOYSA-N -1 3 346.244 2.303 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC(CC(F)(F)F)C1 ZINC001607078195 1351407852 /nfs/dbraw/zinc/40/78/52/1351407852.db2.gz NRDRXGWUBDUZCC-UHFFFAOYSA-N -1 3 346.244 2.303 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1(Br)CC1 ZINC001607083482 1351410880 /nfs/dbraw/zinc/41/08/80/1351410880.db2.gz IEEMKFBLMYUOQN-UHFFFAOYSA-N -1 3 339.153 2.114 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1(Br)CC1 ZINC001607083482 1351410881 /nfs/dbraw/zinc/41/08/81/1351410881.db2.gz IEEMKFBLMYUOQN-UHFFFAOYSA-N -1 3 339.153 2.114 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=CCC2)c(Br)c1 ZINC000849430029 1373258291 /nfs/dbraw/zinc/25/82/91/1373258291.db2.gz HPIGDIMQVYMMOF-MRVPVSSYSA-N -1 3 347.190 2.354 20 5 EEBDHM COC[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591392824 1403908156 /nfs/dbraw/zinc/90/81/56/1403908156.db2.gz PPYRAGLLOWMIMS-LBPRGKRZSA-N -1 3 346.391 2.336 20 5 EEBDHM COC[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591392824 1403908159 /nfs/dbraw/zinc/90/81/59/1403908159.db2.gz PPYRAGLLOWMIMS-LBPRGKRZSA-N -1 3 346.391 2.336 20 5 EEBDHM CC1(NC(=O)/C=C/C2CC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110579335 1410822957 /nfs/dbraw/zinc/82/29/57/1410822957.db2.gz SGNRISPOEVLWOM-SNAWJCMRSA-N -1 3 346.387 2.137 20 5 EEBDHM O=C(/C=C/C1CC1)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089920455 790264521 /nfs/dbraw/zinc/26/45/21/790264521.db2.gz RKARUDWKEWVMRL-ONEGZZNKSA-N -1 3 346.387 2.360 20 5 EEBDHM Cc1cc(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])oc1C ZINC001107123552 784904766 /nfs/dbraw/zinc/90/47/66/784904766.db2.gz BPSRLDODRMKYLF-ONEGZZNKSA-N -1 3 346.343 2.303 20 5 EEBDHM Cc1ccc(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001107185429 786259677 /nfs/dbraw/zinc/25/96/77/786259677.db2.gz UVPUNCBJEWEDFC-NSCUHMNNSA-N -1 3 342.355 2.402 20 5 EEBDHM COCCN1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000844208361 788927778 /nfs/dbraw/zinc/92/77/78/788927778.db2.gz KGBBYQCJBRSRFR-GFCCVEGCSA-N -1 3 337.376 2.124 20 5 EEBDHM Cc1ccc(C)c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093617085 795455970 /nfs/dbraw/zinc/45/59/70/795455970.db2.gz ZDBZXINLQCPVHP-UHFFFAOYSA-N -1 3 330.344 2.154 20 5 EEBDHM C=Cc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001094142882 795993210 /nfs/dbraw/zinc/99/32/10/795993210.db2.gz DRLFVRIXFMABEG-UHFFFAOYSA-N -1 3 328.328 2.180 20 5 EEBDHM Cc1ccnc(NCCCNC(=O)c2ccccc2[O-])c1[N+](=O)[O-] ZINC001094338404 796112772 /nfs/dbraw/zinc/11/27/72/796112772.db2.gz JPNZOKHFXGUZGF-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001598513238 992587350 /nfs/dbraw/zinc/58/73/50/992587350.db2.gz OYHJZGMJDALPIV-MRXNPFEDSA-N -1 3 330.340 2.458 20 5 EEBDHM C[C@@](NC[C@@H](O)c1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593246043 994445660 /nfs/dbraw/zinc/44/56/60/994445660.db2.gz GGIYGPMQDGRWDC-WBVHZDCISA-N -1 3 348.330 2.357 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000426605026 241316373 /nfs/dbraw/zinc/31/63/73/241316373.db2.gz WIIXOFPHSLKNCE-UHFFFAOYSA-N -1 3 343.339 2.286 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000271250521 256225369 /nfs/dbraw/zinc/22/53/69/256225369.db2.gz HUADTUWARGQYPS-QWHCGFSZSA-N -1 3 342.417 2.305 20 5 EEBDHM COc1cc(CNC[C@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000273063331 256261909 /nfs/dbraw/zinc/26/19/09/256261909.db2.gz FMEPOFHWDBCRSK-OAHLLOKOSA-N -1 3 346.383 2.392 20 5 EEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000111353257 142359829 /nfs/dbraw/zinc/35/98/29/142359829.db2.gz NZOPXRQNUWSNKB-ZDUSSCGKSA-N -1 3 341.433 2.056 20 5 EEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000125364096 292296223 /nfs/dbraw/zinc/29/62/23/292296223.db2.gz CHYVUZBYWQQOQP-UHFFFAOYSA-N -1 3 346.380 2.219 20 5 EEBDHM CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccco1 ZINC000127667711 292328862 /nfs/dbraw/zinc/32/88/62/292328862.db2.gz KCKZBNJDNPHVCH-ZDUSSCGKSA-N -1 3 348.359 2.101 20 5 EEBDHM Cc1ncc(CNc2ncc(Br)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343594464 161149991 /nfs/dbraw/zinc/14/99/91/161149991.db2.gz LAYHFQBYTBODLK-UHFFFAOYSA-N -1 3 340.137 2.168 20 5 EEBDHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCN1C ZINC000343962581 161184861 /nfs/dbraw/zinc/18/48/61/161184861.db2.gz CGVCKDAFDQMLBD-ONGXEEELSA-N -1 3 347.824 2.009 20 5 EEBDHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000352560490 162189172 /nfs/dbraw/zinc/18/91/72/162189172.db2.gz POMOYXLCTKTHKP-LLVKDONJSA-N -1 3 347.412 2.133 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000359941847 164201252 /nfs/dbraw/zinc/20/12/52/164201252.db2.gz URVNMANECNPPHB-GHMZBOCLSA-N -1 3 328.390 2.318 20 5 EEBDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000374353227 167023420 /nfs/dbraw/zinc/02/34/20/167023420.db2.gz RCDWWBSOPSWMCQ-AWEZNQCLSA-N -1 3 347.396 2.060 20 5 EEBDHM CC(C)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCN(C)CC1 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Cc1cccnc1[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592264313 1349614185 /nfs/dbraw/zinc/61/41/85/1349614185.db2.gz OTPIQLFRJAYHLQ-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1cccnc1[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592264313 1349614195 /nfs/dbraw/zinc/61/41/95/1349614195.db2.gz OTPIQLFRJAYHLQ-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM O=C1Cc2cc(Nc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)ccc2N1 ZINC001593401977 1349797224 /nfs/dbraw/zinc/79/72/24/1349797224.db2.gz UELCCKSUINABQP-UHFFFAOYSA-N -1 3 337.299 2.013 20 5 EEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)cn2)ccc2cnccc21 ZINC001593469426 1349804361 /nfs/dbraw/zinc/80/43/61/1349804361.db2.gz PXFQAWFCOWINDL-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nn[n-]n3)cn2)ccc2cnccc21 ZINC001593469426 1349804365 /nfs/dbraw/zinc/80/43/65/1349804365.db2.gz PXFQAWFCOWINDL-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCc1ccccc1O ZINC001593469277 1349805054 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EEBDHM O=[N+]([O-])c1ccc(NCCC2SCCS2)c(-c2nnn[n-]2)c1 ZINC001593477877 1349810650 /nfs/dbraw/zinc/81/06/50/1349810650.db2.gz IKYKQAJDSUHXGN-UHFFFAOYSA-N -1 3 338.418 2.383 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCC2SCCS2)c(-c2nn[n-]n2)c1 ZINC001593477877 1349810656 /nfs/dbraw/zinc/81/06/56/1349810656.db2.gz IKYKQAJDSUHXGN-UHFFFAOYSA-N -1 3 338.418 2.383 20 5 EEBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001602984669 1350618134 /nfs/dbraw/zinc/61/81/34/1350618134.db2.gz OVCQOHWPWHAKEM-HMWXGYMHSA-N -1 3 334.372 2.156 20 5 EEBDHM C[C@](CC(=O)[O-])(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001604087496 1350852291 /nfs/dbraw/zinc/85/22/91/1350852291.db2.gz GPGPNGWWBGVFIU-RHSMWYFYSA-N -1 3 345.355 2.003 20 5 EEBDHM CCOC(=O)[C@H](CC)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604363381 1350923835 /nfs/dbraw/zinc/92/38/35/1350923835.db2.gz PPBDJFKCQYCQCJ-JTQLQIEISA-N -1 3 337.361 2.209 20 5 EEBDHM CCOC(=O)[C@H](CC)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604363381 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ZINC000192233725 528531567 /nfs/dbraw/zinc/53/15/67/528531567.db2.gz KRXLYLVURWJFMH-UHFFFAOYSA-N -1 3 334.369 2.457 20 5 EEBDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000152875223 529229423 /nfs/dbraw/zinc/22/94/23/529229423.db2.gz NMDNIXHVZRQMOQ-JQWIXIFHSA-N -1 3 328.390 2.460 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738230756 578004870 /nfs/dbraw/zinc/00/48/70/578004870.db2.gz JBHWOJTVBOXYKF-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738230756 578004871 /nfs/dbraw/zinc/00/48/71/578004871.db2.gz JBHWOJTVBOXYKF-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)cs1 ZINC000768834034 577563533 /nfs/dbraw/zinc/56/35/33/577563533.db2.gz KFKAVWUUHVFCOR-UHFFFAOYSA-N -1 3 334.325 2.413 20 5 EEBDHM COc1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000763378174 577720222 /nfs/dbraw/zinc/72/02/22/577720222.db2.gz 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O=C(CSc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000737947018 578273997 /nfs/dbraw/zinc/27/39/97/578273997.db2.gz KIKDUEOPJDXZSW-UHFFFAOYSA-N -1 3 342.340 2.145 20 5 EEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000737947018 578273998 /nfs/dbraw/zinc/27/39/98/578273998.db2.gz KIKDUEOPJDXZSW-UHFFFAOYSA-N -1 3 342.340 2.145 20 5 EEBDHM C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)[O-])o1 ZINC000827241519 604329463 /nfs/dbraw/zinc/32/94/63/604329463.db2.gz WUUWEDRLYGGWJY-JTQLQIEISA-N -1 3 347.327 2.393 20 5 EEBDHM Cc1ccccc1[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826305757 607873641 /nfs/dbraw/zinc/87/36/41/607873641.db2.gz HTGXHIVOCLXGBD-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccccc1[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826305757 607873642 /nfs/dbraw/zinc/87/36/42/607873642.db2.gz HTGXHIVOCLXGBD-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499469 607968616 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1351792691 /nfs/dbraw/zinc/79/26/91/1351792691.db2.gz FNZCFLKXMMFMQC-IMJJTQAJSA-N -1 3 334.372 2.418 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609110095 1351847663 /nfs/dbraw/zinc/84/76/63/1351847663.db2.gz JTBYDVZASWLZCJ-TVQRCGJNSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609110095 1351847669 /nfs/dbraw/zinc/84/76/69/1351847669.db2.gz JTBYDVZASWLZCJ-TVQRCGJNSA-N -1 3 344.331 2.292 20 5 EEBDHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC001609202896 1351889677 /nfs/dbraw/zinc/88/96/77/1351889677.db2.gz RJQGUYCHSCNPKS-GHMZBOCLSA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC001609202896 1351889681 /nfs/dbraw/zinc/88/96/81/1351889681.db2.gz RJQGUYCHSCNPKS-GHMZBOCLSA-N -1 3 332.364 2.169 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CC1(Cl)Cl ZINC001609601311 1352031231 /nfs/dbraw/zinc/03/12/31/1352031231.db2.gz GZTVTJLNXNUBGP-ZETCQYMHSA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CC1(Cl)Cl ZINC001609601311 1352031234 /nfs/dbraw/zinc/03/12/34/1352031234.db2.gz GZTVTJLNXNUBGP-ZETCQYMHSA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2cccc(-c3nnn[n-]3)c2F)nc1C1CC1 ZINC001609603432 1352032462 /nfs/dbraw/zinc/03/24/62/1352032462.db2.gz DGOVFLMURDXKGR-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2cccc(-c3nn[n-]n3)c2F)nc1C1CC1 ZINC001609603432 1352032464 /nfs/dbraw/zinc/03/24/64/1352032464.db2.gz DGOVFLMURDXKGR-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CC2CCC1CC2 ZINC001582803754 1344793282 /nfs/dbraw/zinc/79/32/82/1344793282.db2.gz TXYMWTJVAZUCQK-ILDUYXDCSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CC2CCC1CC2 ZINC001582803754 1344793286 /nfs/dbraw/zinc/79/32/86/1344793286.db2.gz TXYMWTJVAZUCQK-ILDUYXDCSA-N -1 3 329.364 2.408 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001589104146 1348959728 /nfs/dbraw/zinc/95/97/28/1348959728.db2.gz AOFSNBVNZWHDTI-TZMCWYRMSA-N -1 3 346.391 2.008 20 5 EEBDHM CCc1noc(C)c1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590934664 1349419105 /nfs/dbraw/zinc/41/91/05/1349419105.db2.gz QUPLMWJKOKLHNK-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CCc1noc(C)c1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590934664 1349419110 /nfs/dbraw/zinc/41/91/10/1349419110.db2.gz QUPLMWJKOKLHNK-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CSC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591697153 1349530896 /nfs/dbraw/zinc/53/08/96/1349530896.db2.gz CHEDGBMCYSVVEE-SNVBAGLBSA-N -1 3 334.405 2.354 20 5 EEBDHM CSC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591697153 1349530902 /nfs/dbraw/zinc/53/09/02/1349530902.db2.gz CHEDGBMCYSVVEE-SNVBAGLBSA-N -1 3 334.405 2.354 20 5 EEBDHM Cn1c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001592552901 1349656831 /nfs/dbraw/zinc/65/68/31/1349656831.db2.gz PHGZOFYTQYDHHH-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001592552901 1349656833 /nfs/dbraw/zinc/65/68/33/1349656833.db2.gz PHGZOFYTQYDHHH-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCc2sccc2C1 ZINC001593466704 1349803391 /nfs/dbraw/zinc/80/33/91/1349803391.db2.gz FDFYPVYCVABHFW-UHFFFAOYSA-N -1 3 342.384 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCc2sccc2C1 ZINC001593466704 1349803396 /nfs/dbraw/zinc/80/33/96/1349803396.db2.gz FDFYPVYCVABHFW-UHFFFAOYSA-N -1 3 342.384 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC001593467601 1349803545 /nfs/dbraw/zinc/80/35/45/1349803545.db2.gz DHMLORKYHPDYLI-IUODEOHRSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC001593467601 1349803547 /nfs/dbraw/zinc/80/35/47/1349803547.db2.gz DHMLORKYHPDYLI-IUODEOHRSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Nc1cnn2c1CCCC2 ZINC001593467179 1349804092 /nfs/dbraw/zinc/80/40/92/1349804092.db2.gz MJDYNRMAAYFRHY-UHFFFAOYSA-N -1 3 344.310 2.190 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Nc1cnn2c1CCCC2 ZINC001593467179 1349804096 /nfs/dbraw/zinc/80/40/96/1349804096.db2.gz MJDYNRMAAYFRHY-UHFFFAOYSA-N -1 3 344.310 2.190 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CC2(Cl)Cl)ccc1-c1nnn[n-]1 ZINC001593474491 1349808519 /nfs/dbraw/zinc/80/85/19/1349808519.db2.gz QAVNBEIVFOSXOZ-LURJTMIESA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCc1nccs1 ZINC001593476140 1349809254 /nfs/dbraw/zinc/80/92/54/1349809254.db2.gz WNLHVFIWQRAJLC-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCc1nccs1 ZINC001593476140 1349809258 /nfs/dbraw/zinc/80/92/58/1349809258.db2.gz WNLHVFIWQRAJLC-UHFFFAOYSA-N -1 3 331.361 2.276 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cncc(-c4nnn[n-]4)c3)c2)c1 ZINC001593480562 1349813106 /nfs/dbraw/zinc/81/31/06/1349813106.db2.gz PVEKTLGWQJIYEM-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cncc(-c4nn[n-]n4)c3)c2)c1 ZINC001593480562 1349813111 /nfs/dbraw/zinc/81/31/11/1349813111.db2.gz PVEKTLGWQJIYEM-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCOc2cc(F)ccc21 ZINC001593480695 1349813271 /nfs/dbraw/zinc/81/32/71/1349813271.db2.gz MEUFGKYHVJZFDG-UHFFFAOYSA-N -1 3 342.290 2.445 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCOc2cc(F)ccc21 ZINC001593480695 1349813277 /nfs/dbraw/zinc/81/32/77/1349813277.db2.gz MEUFGKYHVJZFDG-UHFFFAOYSA-N -1 3 342.290 2.445 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603231421 1350667000 /nfs/dbraw/zinc/66/70/00/1350667000.db2.gz USOOVGNMMHTVFA-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603231421 1350667006 /nfs/dbraw/zinc/66/70/06/1350667006.db2.gz USOOVGNMMHTVFA-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603278480 1350678112 /nfs/dbraw/zinc/67/81/12/1350678112.db2.gz PITJFJGJQIYJOD-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)Cn1ccnc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603314446 1350686020 /nfs/dbraw/zinc/68/60/20/1350686020.db2.gz YATXVSFHZXJPHP-UHFFFAOYSA-N -1 3 342.363 2.240 20 5 EEBDHM CC(C)Cn1ccnc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603314446 1350686022 /nfs/dbraw/zinc/68/60/22/1350686022.db2.gz YATXVSFHZXJPHP-UHFFFAOYSA-N -1 3 342.363 2.240 20 5 EEBDHM C[C@]1(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1(F)F ZINC001603800353 1350770591 /nfs/dbraw/zinc/77/05/91/1350770591.db2.gz LQNFRKFCGDPGLK-LBPRGKRZSA-N -1 3 339.306 2.204 20 5 EEBDHM C[C@]1(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1(F)F ZINC001603800353 1350770594 /nfs/dbraw/zinc/77/05/94/1350770594.db2.gz LQNFRKFCGDPGLK-LBPRGKRZSA-N -1 3 339.306 2.204 20 5 EEBDHM CSC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001605377198 1351148515 /nfs/dbraw/zinc/14/85/15/1351148515.db2.gz PVAOTBOVZRJWGZ-JTQLQIEISA-N -1 3 334.405 2.354 20 5 EEBDHM CSC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001605377198 1351148517 /nfs/dbraw/zinc/14/85/17/1351148517.db2.gz PVAOTBOVZRJWGZ-JTQLQIEISA-N -1 3 334.405 2.354 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CC23CCCCC3)c1-c1nnn[n-]1 ZINC001606452050 1351305214 /nfs/dbraw/zinc/30/52/14/1351305214.db2.gz YJLGGMFRSYNDRW-NSHDSACASA-N -1 3 329.364 2.492 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CC23CCCCC3)c1-c1nn[n-]n1 ZINC001606452050 1351305219 /nfs/dbraw/zinc/30/52/19/1351305219.db2.gz YJLGGMFRSYNDRW-NSHDSACASA-N -1 3 329.364 2.492 20 5 EEBDHM O=C(C[C@@H]1C[C@H]1C1CC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606589308 1351328361 /nfs/dbraw/zinc/32/83/61/1351328361.db2.gz QXJJXERZCIEXJS-JQWIXIFHSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(C[C@@H]1C[C@H]1C1CC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606589308 1351328364 /nfs/dbraw/zinc/32/83/64/1351328364.db2.gz QXJJXERZCIEXJS-JQWIXIFHSA-N -1 3 343.343 2.254 20 5 EEBDHM CC1(NC(=O)CC2CCC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110580827 1368937137 /nfs/dbraw/zinc/93/71/37/1368937137.db2.gz WMOOSIADTQMLRN-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000111572142 1369376271 /nfs/dbraw/zinc/37/62/71/1369376271.db2.gz ZNTXYGLHBMSXPV-SNVBAGLBSA-N -1 3 338.323 2.322 20 5 EEBDHM CCOC(=O)C[C@@H](C)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590760903 1403898668 /nfs/dbraw/zinc/89/86/68/1403898668.db2.gz HKAHELBXIHBCNR-MRVPVSSYSA-N -1 3 337.361 2.209 20 5 EEBDHM CCOC(=O)C[C@@H](C)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590760903 1403898673 /nfs/dbraw/zinc/89/86/73/1403898673.db2.gz HKAHELBXIHBCNR-MRVPVSSYSA-N -1 3 337.361 2.209 20 5 EEBDHM CCN(CCNC(=O)C1(C2CC2)CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100673389 1410692555 /nfs/dbraw/zinc/69/25/55/1410692555.db2.gz AFZMKWIHJMRJOK-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM CC(C)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccco1 ZINC001125368711 757665640 /nfs/dbraw/zinc/66/56/40/757665640.db2.gz IHPXMSAEVZJKLS-UHFFFAOYSA-N -1 3 348.359 2.275 20 5 EEBDHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000846283252 790115417 /nfs/dbraw/zinc/11/54/17/790115417.db2.gz GASIYRMVLGZZQI-QLJPJBMISA-N -1 3 331.328 2.423 20 5 EEBDHM CCC(=O)NCc1ccccc1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111624270 791567549 /nfs/dbraw/zinc/56/75/49/791567549.db2.gz FQWNIJMNBFGXSP-UHFFFAOYSA-N -1 3 344.371 2.358 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1ccccc1F ZINC001110047497 806452944 /nfs/dbraw/zinc/45/29/44/806452944.db2.gz HSVSFTOJJKPDLS-UHFFFAOYSA-N -1 3 346.318 2.209 20 5 EEBDHM Cc1cc(C)cc(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001094085887 795923414 /nfs/dbraw/zinc/92/34/14/795923414.db2.gz FUCWLNLTSBSDMG-UHFFFAOYSA-N -1 3 344.371 2.083 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC001094151223 795965451 /nfs/dbraw/zinc/96/54/51/795965451.db2.gz VRZLCRDCOHXETH-UHFFFAOYSA-N -1 3 341.327 2.019 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc(C)c(C)o1 ZINC001106725864 796294333 /nfs/dbraw/zinc/29/43/33/796294333.db2.gz SIBZEGCZCPFUOH-UHFFFAOYSA-N -1 3 348.359 2.479 20 5 EEBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cccc2n[n-]nc21 ZINC001094602252 796466637 /nfs/dbraw/zinc/46/66/37/796466637.db2.gz WPXPRJSQIHIPNY-UHFFFAOYSA-N -1 3 340.343 2.098 20 5 EEBDHM Cc1ccc(CC(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001094656842 796521082 /nfs/dbraw/zinc/52/10/82/796521082.db2.gz QUGBZYUJIHCNOA-UHFFFAOYSA-N -1 3 344.371 2.165 20 5 EEBDHM CC(C)CCC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095164343 797449292 /nfs/dbraw/zinc/44/92/92/797449292.db2.gz QHULJQZKQRUPCK-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001175736799 798210460 /nfs/dbraw/zinc/21/04/60/798210460.db2.gz BKCLHIXACMMGNT-UHFFFAOYSA-N -1 3 329.284 2.256 20 5 EEBDHM CC(C)(C)CC(=O)N1C[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC001065963068 799805514 /nfs/dbraw/zinc/80/55/14/799805514.db2.gz BBYPOFXYSAMQOW-TXEJJXNPSA-N -1 3 348.403 2.026 20 5 EEBDHM COCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000267492198 256063943 /nfs/dbraw/zinc/06/39/43/256063943.db2.gz GKBXBGFRJNTOFP-UHFFFAOYSA-N -1 3 347.327 2.363 20 5 EEBDHM CC(C)N1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000273117309 256266738 /nfs/dbraw/zinc/26/67/38/256266738.db2.gz PNQUEVDNTHMZAG-UHFFFAOYSA-N -1 3 335.389 2.398 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000178282248 533481436 /nfs/dbraw/zinc/48/14/36/533481436.db2.gz MLPZZBLRUBTLHB-SSDOTTSWSA-N -1 3 349.206 2.434 20 5 EEBDHM COC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCC1 ZINC000190118019 292122295 /nfs/dbraw/zinc/12/22/95/292122295.db2.gz KQTGCSIGHKDXJA-UHFFFAOYSA-N -1 3 328.390 2.059 20 5 EEBDHM COc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1[O-] ZINC000078228650 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ZINC000129837024 534031274 /nfs/dbraw/zinc/03/12/74/534031274.db2.gz GWGPSEOZPRJVJR-SSDOTTSWSA-N -1 3 330.270 2.367 20 5 EEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nn[n-]n1 ZINC000129837024 534031280 /nfs/dbraw/zinc/03/12/80/534031280.db2.gz GWGPSEOZPRJVJR-SSDOTTSWSA-N -1 3 330.270 2.367 20 5 EEBDHM CC(C)Oc1ncc(Cl)cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000456200228 535078170 /nfs/dbraw/zinc/07/81/70/535078170.db2.gz IBFVFJGPPJQAES-UHFFFAOYSA-N -1 3 325.712 2.406 20 5 EEBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000738370125 578011203 /nfs/dbraw/zinc/01/12/03/578011203.db2.gz QEPOVEXCWARKLZ-UHFFFAOYSA-N -1 3 343.322 2.438 20 5 EEBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000738370125 578011204 /nfs/dbraw/zinc/01/12/04/578011204.db2.gz QEPOVEXCWARKLZ-UHFFFAOYSA-N -1 3 343.322 2.438 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738374936 578011558 /nfs/dbraw/zinc/01/15/58/578011558.db2.gz UGWMGPSKFCMUSO-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738374936 578011559 /nfs/dbraw/zinc/01/15/59/578011559.db2.gz UGWMGPSKFCMUSO-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM Cc1ccccc1CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822356823 599153226 /nfs/dbraw/zinc/15/32/26/599153226.db2.gz ZWLNGVHFVHRBGR-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1ccccc1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822356823 599153229 /nfs/dbraw/zinc/15/32/29/599153229.db2.gz ZWLNGVHFVHRBGR-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822076721 607321963 /nfs/dbraw/zinc/32/19/63/607321963.db2.gz RGVCXCJEGIYQGZ-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822076721 607321964 /nfs/dbraw/zinc/32/19/64/607321964.db2.gz RGVCXCJEGIYQGZ-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM CO[C@@]1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678804 599688334 /nfs/dbraw/zinc/68/83/34/599688334.db2.gz SHGSJTHCQTUNCB-WFASDCNBSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@@]1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678804 599688335 /nfs/dbraw/zinc/68/83/35/599688335.db2.gz SHGSJTHCQTUNCB-WFASDCNBSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)(C)OC(=O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819928638 599688626 /nfs/dbraw/zinc/68/86/26/599688626.db2.gz STAJKKSZJZILJY-UHFFFAOYSA-N -1 3 348.363 2.309 20 5 EEBDHM CC(C)(C)OC(=O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819928638 599688627 /nfs/dbraw/zinc/68/86/27/599688627.db2.gz STAJKKSZJZILJY-UHFFFAOYSA-N -1 3 348.363 2.309 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639523 606143189 /nfs/dbraw/zinc/14/31/89/606143189.db2.gz CBZCQPMTAUUEPX-UHFFFAOYSA-N -1 3 340.343 2.404 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639523 606143190 /nfs/dbraw/zinc/14/31/90/606143190.db2.gz CBZCQPMTAUUEPX-UHFFFAOYSA-N -1 3 340.343 2.404 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H](CCO)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823635047 606646201 /nfs/dbraw/zinc/64/62/01/606646201.db2.gz QIHQBGKJHACXNB-CQSZACIVSA-N -1 3 340.343 2.311 20 5 EEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823557005 607009352 /nfs/dbraw/zinc/00/93/52/607009352.db2.gz DUICPUYJVDSFRW-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000823557005 607009353 /nfs/dbraw/zinc/00/93/53/607009353.db2.gz DUICPUYJVDSFRW-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM Cc1cnc(CCN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000826318692 607849432 /nfs/dbraw/zinc/84/94/32/607849432.db2.gz VLXJAZISGCBLMD-UHFFFAOYSA-N -1 3 345.388 2.219 20 5 EEBDHM Cc1cnc(CCN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000826318692 607849433 /nfs/dbraw/zinc/84/94/33/607849433.db2.gz VLXJAZISGCBLMD-UHFFFAOYSA-N -1 3 345.388 2.219 20 5 EEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824658598 609386249 /nfs/dbraw/zinc/38/62/49/609386249.db2.gz YQWRTSHYHUCQPN-QMMMGPOBSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824658598 609386251 /nfs/dbraw/zinc/38/62/51/609386251.db2.gz YQWRTSHYHUCQPN-QMMMGPOBSA-N -1 3 329.295 2.482 20 5 EEBDHM Cc1ccnc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c1[N+](=O)[O-] ZINC001059152885 682716101 /nfs/dbraw/zinc/71/61/01/682716101.db2.gz AFGAHWAQIGLRJJ-HAQNSBGRSA-N -1 3 342.355 2.377 20 5 EEBDHM CC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC=CC1 ZINC001059407369 684853038 /nfs/dbraw/zinc/85/30/38/684853038.db2.gz UZTWDZUHOVCAPF-XYPYZODXSA-N -1 3 332.360 2.111 20 5 EEBDHM CC(C)CC(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089888063 1192785544 /nfs/dbraw/zinc/78/55/44/1192785544.db2.gz BWFBNWYKYPKWFB-UHFFFAOYSA-N -1 3 336.392 2.440 20 5 EEBDHM COC(=O)c1nsc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000813369115 1198998063 /nfs/dbraw/zinc/99/80/63/1198998063.db2.gz JTRCCGSPIKNHLG-UHFFFAOYSA-N -1 3 342.720 2.139 20 5 EEBDHM CN(CCCNC(=O)C1CC(C)(C)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095547824 1205868081 /nfs/dbraw/zinc/86/80/81/1205868081.db2.gz OTXLLSKJBVXGBB-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM CCC(=O)NC[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001111272040 1208529826 /nfs/dbraw/zinc/52/98/26/1208529826.db2.gz XWEOBZMUSFRGBH-HAQNSBGRSA-N -1 3 336.392 2.440 20 5 EEBDHM CCN(CCCNC(=O)C1=CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095867933 1211565518 /nfs/dbraw/zinc/56/55/18/1211565518.db2.gz UOZCSZNAZLDWKB-UHFFFAOYSA-N -1 3 334.376 2.138 20 5 EEBDHM Cc1cscc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101571454 1245975424 /nfs/dbraw/zinc/97/54/24/1245975424.db2.gz AZSHYNBPUFBHET-UHFFFAOYSA-N -1 3 336.373 2.249 20 5 EEBDHM CC1(C(=O)N[C@H]2C[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001068566915 1251318446 /nfs/dbraw/zinc/31/84/46/1251318446.db2.gz RFUAPLPYPQTMBF-XYPYZODXSA-N -1 3 334.376 2.192 20 5 EEBDHM O=C(CCCF)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103449933 1302978306 /nfs/dbraw/zinc/97/83/06/1302978306.db2.gz OVEBPGUPFDRJDI-UHFFFAOYSA-N -1 3 340.355 2.286 20 5 EEBDHM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)c2)cc1[N+](=O)[O-] ZINC001326985723 1334197044 /nfs/dbraw/zinc/19/70/44/1334197044.db2.gz XAGKBKWVDLVFLI-UHFFFAOYSA-N -1 3 335.385 2.392 20 5 EEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cncc1[N+](=O)[O-] ZINC001609278402 1351919164 /nfs/dbraw/zinc/91/91/64/1351919164.db2.gz ISOSETWXQIBLGO-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cncc1[N+](=O)[O-] ZINC001609278402 1351919165 /nfs/dbraw/zinc/91/91/65/1351919165.db2.gz ISOSETWXQIBLGO-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM COCC1(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001609319324 1351932293 /nfs/dbraw/zinc/93/22/93/1351932293.db2.gz PXVLFWNTHFPKGD-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COCC1(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001609319324 1351932294 /nfs/dbraw/zinc/93/22/94/1351932294.db2.gz PXVLFWNTHFPKGD-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM Cc1cc(NCC2(C)CCOCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409714 1351965057 /nfs/dbraw/zinc/96/50/57/1351965057.db2.gz UXDYWPSMYSLUQY-UHFFFAOYSA-N -1 3 332.364 2.312 20 5 EEBDHM Cc1cc(NCC2(C)CCOCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409714 1351965060 /nfs/dbraw/zinc/96/50/60/1351965060.db2.gz UXDYWPSMYSLUQY-UHFFFAOYSA-N -1 3 332.364 2.312 20 5 EEBDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc([N+](=O)[O-])c1 ZINC001580870651 1344566793 /nfs/dbraw/zinc/56/67/93/1344566793.db2.gz KRFDFLKYCLWFEV-UHFFFAOYSA-N -1 3 344.356 2.075 20 5 EEBDHM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC001580980639 1344578398 /nfs/dbraw/zinc/57/83/98/1344578398.db2.gz JQWVLHFRAXKBBC-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC001580980639 1344578401 /nfs/dbraw/zinc/57/84/01/1344578401.db2.gz JQWVLHFRAXKBBC-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM C[C@@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589030619 1348953807 /nfs/dbraw/zinc/95/38/07/1348953807.db2.gz PMWUQWLNQPLFQO-LURJTMIESA-N -1 3 345.237 2.017 20 5 EEBDHM C[C@@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589030619 1348953809 /nfs/dbraw/zinc/95/38/09/1348953809.db2.gz PMWUQWLNQPLFQO-LURJTMIESA-N -1 3 345.237 2.017 20 5 EEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589803765 1349047480 /nfs/dbraw/zinc/04/74/80/1349047480.db2.gz QHVZGGLTSSEAKP-CABZTGNLSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589803765 1349047486 /nfs/dbraw/zinc/04/74/86/1349047486.db2.gz QHVZGGLTSSEAKP-CABZTGNLSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590134125 1349168523 /nfs/dbraw/zinc/16/85/23/1349168523.db2.gz OJWNURZVMJDFJM-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590134125 1349168528 /nfs/dbraw/zinc/16/85/28/1349168528.db2.gz OJWNURZVMJDFJM-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001591943027 1349566257 /nfs/dbraw/zinc/56/62/57/1349566257.db2.gz RNYPBQGSULHEIL-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001591943027 1349566263 /nfs/dbraw/zinc/56/62/63/1349566263.db2.gz RNYPBQGSULHEIL-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001592031500 1349584838 /nfs/dbraw/zinc/58/48/38/1349584838.db2.gz JQCAVLKMKLDBMB-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1c([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1C ZINC001592034357 1349585946 /nfs/dbraw/zinc/58/59/46/1349585946.db2.gz JICJWAAGRCCUEK-VIFPVBQESA-N -1 3 342.363 2.298 20 5 EEBDHM Cc1c([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cnn1C ZINC001592034357 1349585950 /nfs/dbraw/zinc/58/59/50/1349585950.db2.gz JICJWAAGRCCUEK-VIFPVBQESA-N -1 3 342.363 2.298 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC[C@@]3(CC3(F)F)C2)ccc1-c1nnn[n-]1 ZINC001593470584 1349806265 /nfs/dbraw/zinc/80/62/65/1349806265.db2.gz GASFBUDBHHKGAR-CYBMUJFWSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC2(CCOCC2)CC1 ZINC001593474162 1349808088 /nfs/dbraw/zinc/80/80/88/1349808088.db2.gz GROOZUQTYBPOIU-UHFFFAOYSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC2(CCOCC2)CC1 ZINC001593474162 1349808089 /nfs/dbraw/zinc/80/80/89/1349808089.db2.gz GROOZUQTYBPOIU-UHFFFAOYSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCCC2)c(-c2nnn[n-]2)c1 ZINC001593478654 1349811016 /nfs/dbraw/zinc/81/10/16/1349811016.db2.gz JIPLGRPLMNOKNH-LLVKDONJSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCCC2)c(-c2nn[n-]n2)c1 ZINC001593478654 1349811020 /nfs/dbraw/zinc/81/10/20/1349811020.db2.gz JIPLGRPLMNOKNH-LLVKDONJSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001593482506 1349814183 /nfs/dbraw/zinc/81/41/83/1349814183.db2.gz CUPJYRPQFOLWDJ-AAEUAGOBSA-N -1 3 344.375 2.250 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001593482506 1349814186 /nfs/dbraw/zinc/81/41/86/1349814186.db2.gz CUPJYRPQFOLWDJ-AAEUAGOBSA-N -1 3 344.375 2.250 20 5 EEBDHM O=[N+]([O-])c1ccsc1N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593486582 1349815179 /nfs/dbraw/zinc/81/51/79/1349815179.db2.gz AXQZLPGMYCEXRL-NSHDSACASA-N -1 3 328.357 2.416 20 5 EEBDHM O=[N+]([O-])c1ccsc1N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593486582 1349815181 /nfs/dbraw/zinc/81/51/81/1349815181.db2.gz AXQZLPGMYCEXRL-NSHDSACASA-N -1 3 328.357 2.416 20 5 EEBDHM CCOC1CC2(C[C@H]2Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604412376 1350932836 /nfs/dbraw/zinc/93/28/36/1350932836.db2.gz PDSVEEVSYZVHAT-VROQLPPWSA-N -1 3 330.348 2.144 20 5 EEBDHM CCOC1CC2(C[C@H]2Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604412376 1350932839 /nfs/dbraw/zinc/93/28/39/1350932839.db2.gz PDSVEEVSYZVHAT-VROQLPPWSA-N -1 3 330.348 2.144 20 5 EEBDHM CCO[C@H]1C[C@](NCc2ccc(F)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001605602938 1351198882 /nfs/dbraw/zinc/19/88/82/1351198882.db2.gz CJSXHKZSDLFECJ-BBRMVZONSA-N -1 3 340.351 2.482 20 5 EEBDHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001605631356 1351205349 /nfs/dbraw/zinc/20/53/49/1351205349.db2.gz XVSFJUSYGOSCLZ-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001605631356 1351205355 /nfs/dbraw/zinc/20/53/55/1351205355.db2.gz XVSFJUSYGOSCLZ-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(CCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001607083325 1351410977 /nfs/dbraw/zinc/41/09/77/1351410977.db2.gz BSIWSOVVLARSBO-UHFFFAOYSA-N -1 3 336.355 2.333 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC001607083541 1351411338 /nfs/dbraw/zinc/41/13/38/1351411338.db2.gz JJHZLYBRMXMRHV-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC001607083541 1351411343 /nfs/dbraw/zinc/41/13/43/1351411343.db2.gz JJHZLYBRMXMRHV-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC001607087030 1351412606 /nfs/dbraw/zinc/41/26/06/1351412606.db2.gz YBGWMXCZJMUQIX-SNVBAGLBSA-N -1 3 329.345 2.331 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC001607087030 1351412607 /nfs/dbraw/zinc/41/26/07/1351412607.db2.gz YBGWMXCZJMUQIX-SNVBAGLBSA-N -1 3 329.345 2.331 20 5 EEBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1CCCCN1C1CC1 ZINC001607087941 1351413563 /nfs/dbraw/zinc/41/35/63/1351413563.db2.gz BHLCFXWALPFPEK-SNVBAGLBSA-N -1 3 349.420 2.265 20 5 EEBDHM Cc1ccc(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1[N+](=O)[O-] ZINC001607780503 1351557596 /nfs/dbraw/zinc/55/75/96/1351557596.db2.gz GZJLLAGDTVWZAT-GOSISDBHSA-N -1 3 348.399 2.485 20 5 EEBDHM CCC1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590523221 1403883035 /nfs/dbraw/zinc/88/30/35/1403883035.db2.gz VPBYXQSJTVFRIJ-UHFFFAOYSA-N -1 3 325.332 2.169 20 5 EEBDHM CCC1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590523221 1403883038 /nfs/dbraw/zinc/88/30/38/1403883038.db2.gz VPBYXQSJTVFRIJ-UHFFFAOYSA-N -1 3 325.332 2.169 20 5 EEBDHM Cc1c(OC(=O)c2cscc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591830828 1403952569 /nfs/dbraw/zinc/95/25/69/1403952569.db2.gz MXYLICHHFJULGI-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM Cc1c(OC(=O)c2cscc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591830828 1403952574 /nfs/dbraw/zinc/95/25/74/1403952574.db2.gz MXYLICHHFJULGI-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM Cc1noc(C)c1C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592458082 1404693268 /nfs/dbraw/zinc/69/32/68/1404693268.db2.gz WJBBEXVMBFHSJV-MRVPVSSYSA-N -1 3 343.347 2.423 20 5 EEBDHM CCC1(C(=O)NCC2=CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001127752658 786791745 /nfs/dbraw/zinc/79/17/45/786791745.db2.gz WKLYYCDDZFNPCG-UHFFFAOYSA-N -1 3 346.387 2.138 20 5 EEBDHM CC(C)=CC(=O)N1CCC(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001062200480 787586769 /nfs/dbraw/zinc/58/67/69/787586769.db2.gz DUCNSVSGKHFABE-UHFFFAOYSA-N -1 3 348.403 2.336 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CSCCS1 ZINC000823630025 787842374 /nfs/dbraw/zinc/84/23/74/787842374.db2.gz PWQQUPDVPWKFFU-VIFPVBQESA-N -1 3 338.418 2.035 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CSCCS1 ZINC000823630025 787842385 /nfs/dbraw/zinc/84/23/85/787842385.db2.gz PWQQUPDVPWKFFU-VIFPVBQESA-N -1 3 338.418 2.035 20 5 EEBDHM C[C@H](CCO)C1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC000824406456 788145641 /nfs/dbraw/zinc/14/56/41/788145641.db2.gz KSDHIMSOUJUTBU-LLVKDONJSA-N -1 3 346.391 2.376 20 5 EEBDHM C[C@H](CCO)C1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC000824406456 788145643 /nfs/dbraw/zinc/14/56/43/788145643.db2.gz KSDHIMSOUJUTBU-LLVKDONJSA-N -1 3 346.391 2.376 20 5 EEBDHM O=C(CC(C1CC1)C1CC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093681584 795543645 /nfs/dbraw/zinc/54/36/45/795543645.db2.gz ILJULSAYTQLDKO-UHFFFAOYSA-N -1 3 334.376 2.050 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)s1 ZINC001094471477 796302702 /nfs/dbraw/zinc/30/27/02/796302702.db2.gz BHSWEANYUXJZGD-UHFFFAOYSA-N -1 3 340.336 2.128 20 5 EEBDHM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001175736823 798210357 /nfs/dbraw/zinc/21/03/57/798210357.db2.gz MGCFFJWDZXHVEU-UHFFFAOYSA-N -1 3 325.321 2.425 20 5 EEBDHM COCCn1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000049546206 214016507 /nfs/dbraw/zinc/01/65/07/214016507.db2.gz BYTMUQASQCLTQL-UHFFFAOYSA-N -1 3 342.153 2.339 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000073435455 216386424 /nfs/dbraw/zinc/38/64/24/216386424.db2.gz QPFRBQGOYQGMEH-CMPLNLGQSA-N -1 3 328.390 2.460 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000428407716 241579148 /nfs/dbraw/zinc/57/91/48/241579148.db2.gz XFFZLOKCZKXJTE-GFCCVEGCSA-N -1 3 348.380 2.055 20 5 EEBDHM COC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCCC1 ZINC000451614804 243178476 /nfs/dbraw/zinc/17/84/76/243178476.db2.gz OYVYUESIGFTKOK-UHFFFAOYSA-N -1 3 342.417 2.449 20 5 EEBDHM O=C(c1cccc([O-])c1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000081012102 217350517 /nfs/dbraw/zinc/35/05/17/217350517.db2.gz YKIBGGFUKNEMHZ-UHFFFAOYSA-N -1 3 341.367 2.258 20 5 EEBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352318787 153053709 /nfs/dbraw/zinc/05/37/09/153053709.db2.gz DGFNHXHFVFTFOW-IONNQARKSA-N -1 3 336.822 2.278 20 5 EEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000107310142 159329881 /nfs/dbraw/zinc/32/98/81/159329881.db2.gz AXTBNSNIMVIINL-UHFFFAOYSA-N -1 3 339.373 2.029 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000190006919 160153472 /nfs/dbraw/zinc/15/34/72/160153472.db2.gz BCLWKFMYLCBCIS-STQMWFEESA-N -1 3 342.417 2.041 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000192532806 160171424 /nfs/dbraw/zinc/17/14/24/160171424.db2.gz ZFCHJTLPGXIBHL-UHFFFAOYSA-N -1 3 333.275 2.094 20 5 EEBDHM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ncccc1[O-] ZINC000341882532 161020956 /nfs/dbraw/zinc/02/09/56/161020956.db2.gz CQYWESWRKKVAHA-UHFFFAOYSA-N -1 3 340.295 2.261 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000342492465 161069636 /nfs/dbraw/zinc/06/96/36/161069636.db2.gz RGKLGLJJECYIJX-PSASIEDQSA-N -1 3 334.419 2.058 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000342494002 161069965 /nfs/dbraw/zinc/06/99/65/161069965.db2.gz SZVWLVKPZWOVDP-JQWIXIFHSA-N -1 3 348.446 2.447 20 5 EEBDHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343972742 161185842 /nfs/dbraw/zinc/18/58/42/161185842.db2.gz OSZFJQZBKOSFEP-SKDRFNHKSA-N -1 3 347.824 2.009 20 5 EEBDHM CCc1cnccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352083201 162060749 /nfs/dbraw/zinc/06/07/49/162060749.db2.gz NWOAPIUXJGPAHY-UHFFFAOYSA-N -1 3 335.385 2.339 20 5 EEBDHM CCn1cnnc1[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000285981140 274823905 /nfs/dbraw/zinc/82/39/05/274823905.db2.gz XEOFIKIBPXUASI-UHFFFAOYSA-N -1 3 337.361 2.189 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000129252128 302050206 /nfs/dbraw/zinc/05/02/06/302050206.db2.gz CSNNIIUNQAPUFJ-MBNYWOFBSA-N -1 3 340.401 2.139 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000416562196 313258521 /nfs/dbraw/zinc/25/85/21/313258521.db2.gz VRRFUEJXTGUXKB-ADEWGFFLSA-N -1 3 326.374 2.070 20 5 EEBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416587611 313266694 /nfs/dbraw/zinc/26/66/94/313266694.db2.gz PZNCVHUFKQCLRV-SECBINFHSA-N -1 3 336.797 2.199 20 5 EEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416589369 313267057 /nfs/dbraw/zinc/26/70/57/313267057.db2.gz BDOCWTANDACYLN-BBBLOLIVSA-N -1 3 348.808 2.340 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1 ZINC000416651950 313285936 /nfs/dbraw/zinc/28/59/36/313285936.db2.gz DMZJSBPAFJTNSA-CYBMUJFWSA-N -1 3 342.417 2.204 20 5 EEBDHM CN(C)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000183931176 464927005 /nfs/dbraw/zinc/92/70/05/464927005.db2.gz RRGIIOWJZLGQGH-UHFFFAOYSA-N -1 3 326.316 2.184 20 5 EEBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000341222148 465063397 /nfs/dbraw/zinc/06/33/97/465063397.db2.gz VSIINZNYVVDKGB-BXKDBHETSA-N -1 3 348.808 2.342 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000341509280 465205824 /nfs/dbraw/zinc/20/58/24/465205824.db2.gz LBNWLQDQNYDTCJ-UHFFFAOYSA-N -1 3 333.325 2.215 20 5 EEBDHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000127945855 462596038 /nfs/dbraw/zinc/59/60/38/462596038.db2.gz WNIQSHSEHZAGTF-UHFFFAOYSA-N -1 3 325.284 2.338 20 5 EEBDHM CCc1onc(C)c1[N-]C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000089395108 462674463 /nfs/dbraw/zinc/67/44/63/462674463.db2.gz CZLHGNKSPODWGA-UHFFFAOYSA-N -1 3 333.300 2.493 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000032416179 463376091 /nfs/dbraw/zinc/37/60/91/463376091.db2.gz CWCPPDJAUJRPDA-UHFFFAOYSA-N -1 3 336.369 2.390 20 5 EEBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000124278099 463404548 /nfs/dbraw/zinc/40/45/48/463404548.db2.gz NYRBGAJUEWJDLJ-UHFFFAOYSA-N -1 3 344.433 2.370 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000186158166 463943278 /nfs/dbraw/zinc/94/32/78/463943278.db2.gz GNEYKECSHLPFAF-LBPRGKRZSA-N -1 3 328.390 2.222 20 5 EEBDHM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000272067369 464465362 /nfs/dbraw/zinc/46/53/62/464465362.db2.gz BLTXLZHIVHGDEN-CABZTGNLSA-N -1 3 344.314 2.391 20 5 EEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(C2CCCC2)CC1 ZINC000182037399 464558363 /nfs/dbraw/zinc/55/83/63/464558363.db2.gz YGYZOXKTWKMQNB-UHFFFAOYSA-N -1 3 333.388 2.391 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000286722831 465015346 /nfs/dbraw/zinc/01/53/46/465015346.db2.gz NJGRHRIISUPHOX-NSHDSACASA-N -1 3 332.353 2.209 20 5 EEBDHM COc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1[O-] ZINC000348203679 465489643 /nfs/dbraw/zinc/48/96/43/465489643.db2.gz BZCXFRMFXBPBEK-UHFFFAOYSA-N -1 3 344.323 2.212 20 5 EEBDHM Cc1[nH]nc(C(=O)[N-]c2csc(-c3ccncc3)n2)c1[N+](=O)[O-] ZINC000361545414 466090161 /nfs/dbraw/zinc/09/01/61/466090161.db2.gz KPDRQACJBYWNBG-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000435644482 467484373 /nfs/dbraw/zinc/48/43/73/467484373.db2.gz IAKAGVGIPCZMPD-UHFFFAOYSA-N -1 3 339.348 2.170 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000614550774 468970823 /nfs/dbraw/zinc/97/08/23/468970823.db2.gz LYRQQOROQCFOLE-MRVPVSSYSA-N -1 3 332.353 2.209 20 5 EEBDHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000598734002 468979238 /nfs/dbraw/zinc/97/92/38/468979238.db2.gz DCYPZOWVGLSWHZ-NSHDSACASA-N -1 3 336.373 2.041 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000738368314 578011007 /nfs/dbraw/zinc/01/10/07/578011007.db2.gz CCBBTCGIBAIXHL-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000738368314 578011008 /nfs/dbraw/zinc/01/10/08/578011008.db2.gz CCBBTCGIBAIXHL-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000738374318 576355221 /nfs/dbraw/zinc/35/52/21/576355221.db2.gz NRMZEMAMKKEUGA-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2cc(F)ccc2F)c(-c2nn[n-]n2)c1 ZINC000738374318 576355223 /nfs/dbraw/zinc/35/52/23/576355223.db2.gz NRMZEMAMKKEUGA-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000753471163 577788045 /nfs/dbraw/zinc/78/80/45/577788045.db2.gz SINISRCFHBLRLM-AWEZNQCLSA-N -1 3 342.311 2.136 20 5 EEBDHM Cc1nnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)o1 ZINC000743478313 577885919 /nfs/dbraw/zinc/88/59/19/577885919.db2.gz VBFFFPQKICCNCP-UHFFFAOYSA-N -1 3 341.283 2.306 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000736204413 578187041 /nfs/dbraw/zinc/18/70/41/578187041.db2.gz FMVNYOABDJJXAW-ZWKOPEQDSA-N -1 3 330.348 2.000 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000736204413 578187042 /nfs/dbraw/zinc/18/70/42/578187042.db2.gz FMVNYOABDJJXAW-ZWKOPEQDSA-N -1 3 330.348 2.000 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000823651808 599255808 /nfs/dbraw/zinc/25/58/08/599255808.db2.gz RFXOJXOBTODGGW-LBPRGKRZSA-N -1 3 337.343 2.139 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000823651808 599255810 /nfs/dbraw/zinc/25/58/10/599255810.db2.gz RFXOJXOBTODGGW-LBPRGKRZSA-N -1 3 337.343 2.139 20 5 EEBDHM COC[C@@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821681136 599496313 /nfs/dbraw/zinc/49/63/13/599496313.db2.gz CESVKTGIMNGGKH-VIFPVBQESA-N -1 3 343.347 2.018 20 5 EEBDHM COC[C@@H](C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821681136 599496316 /nfs/dbraw/zinc/49/63/16/599496316.db2.gz CESVKTGIMNGGKH-VIFPVBQESA-N -1 3 343.347 2.018 20 5 EEBDHM Cc1c(CC(=O)Nc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236399 607428272 /nfs/dbraw/zinc/42/82/72/607428272.db2.gz KMNZNWBDUFPRFN-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(CC(=O)Nc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236399 607428274 /nfs/dbraw/zinc/42/82/74/607428274.db2.gz KMNZNWBDUFPRFN-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM COc1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC000826207823 607539450 /nfs/dbraw/zinc/53/94/50/607539450.db2.gz FZSUEQAKWPSBQY-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM COc1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC000826207823 607539452 /nfs/dbraw/zinc/53/94/52/607539452.db2.gz FZSUEQAKWPSBQY-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM COc1ccc(CNc2ccsc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203768 607560272 /nfs/dbraw/zinc/56/02/72/607560272.db2.gz FPFLKOCSZMAIDV-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM COc1ccc(CNc2ccsc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203768 607560274 /nfs/dbraw/zinc/56/02/74/607560274.db2.gz FPFLKOCSZMAIDV-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826497758 607681993 /nfs/dbraw/zinc/68/19/93/607681993.db2.gz TUSADVZACALRIE-OLZOCXBDSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826497758 607681995 /nfs/dbraw/zinc/68/19/95/607681995.db2.gz TUSADVZACALRIE-OLZOCXBDSA-N -1 3 344.375 2.028 20 5 EEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000821610072 606061646 /nfs/dbraw/zinc/06/16/46/606061646.db2.gz ZEJXVYOJVPWYIG-UHFFFAOYSA-N -1 3 343.322 2.133 20 5 EEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000821610072 606061649 /nfs/dbraw/zinc/06/16/49/606061649.db2.gz ZEJXVYOJVPWYIG-UHFFFAOYSA-N -1 3 343.322 2.133 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272745 607863532 /nfs/dbraw/zinc/86/35/32/607863532.db2.gz ZHESQYSFVDROTQ-UHFFFAOYSA-N -1 3 339.311 2.345 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272745 607863533 /nfs/dbraw/zinc/86/35/33/607863533.db2.gz ZHESQYSFVDROTQ-UHFFFAOYSA-N -1 3 339.311 2.345 20 5 EEBDHM Cc1cc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826272182 607872570 /nfs/dbraw/zinc/87/25/70/607872570.db2.gz XQCAKSJKTKXFNI-HNNXBMFYSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826272182 607872571 /nfs/dbraw/zinc/87/25/71/607872571.db2.gz XQCAKSJKTKXFNI-HNNXBMFYSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccccc1F ZINC000826499784 607876771 /nfs/dbraw/zinc/87/67/71/607876771.db2.gz XHYFHWWUGPXKEN-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1ccccc1F ZINC000826499784 607876772 /nfs/dbraw/zinc/87/67/72/607876772.db2.gz XHYFHWWUGPXKEN-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]1C1CC1 ZINC000826450487 608164130 /nfs/dbraw/zinc/16/41/30/608164130.db2.gz OJBJNSCNBAMWNZ-RKDXNWHRSA-N -1 3 348.750 2.413 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]1C1CC1 ZINC000826450487 608164132 /nfs/dbraw/zinc/16/41/32/608164132.db2.gz OJBJNSCNBAMWNZ-RKDXNWHRSA-N -1 3 348.750 2.413 20 5 EEBDHM Cc1cc(COC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826267811 609284652 /nfs/dbraw/zinc/28/46/52/609284652.db2.gz XJSXAVBXNVKVSW-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(COC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826267811 609284654 /nfs/dbraw/zinc/28/46/54/609284654.db2.gz XJSXAVBXNVKVSW-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM CCc1cnccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825739434 609433689 /nfs/dbraw/zinc/43/36/89/609433689.db2.gz DEWSXEXUJASVFK-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM CCc1cnccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825739434 609433691 /nfs/dbraw/zinc/43/36/91/609433691.db2.gz DEWSXEXUJASVFK-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM O=C1NC(=O)C(=CNc2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000254948730 675068179 /nfs/dbraw/zinc/06/81/79/675068179.db2.gz CVVDXZJHFNIKOJ-WQLSENKSSA-N -1 3 325.280 2.023 20 5 EEBDHM CC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC=CC1 ZINC001059807564 689797637 /nfs/dbraw/zinc/79/76/37/689797637.db2.gz UZTWDZUHOVCAPF-PHIMTYICSA-N -1 3 332.360 2.111 20 5 EEBDHM O=C([N-]Cc1ncc2c(n1)CCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000909671846 689979131 /nfs/dbraw/zinc/97/91/31/689979131.db2.gz VSAIDPWMIVBSNV-UHFFFAOYSA-N -1 3 348.309 2.282 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccsc1 ZINC001107069458 1193131532 /nfs/dbraw/zinc/13/15/32/1193131532.db2.gz DMFUGKMDCYVPEI-OWOJBTEDSA-N -1 3 334.357 2.155 20 5 EEBDHM CCCCC(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095337879 1202508456 /nfs/dbraw/zinc/50/84/56/1202508456.db2.gz WYGVCFIQGVFUHI-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CC/C(C)=C\C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095414096 1205449106 /nfs/dbraw/zinc/44/91/06/1205449106.db2.gz VMVQKILIGSUGEO-KHPPLWFESA-N -1 3 334.376 2.137 20 5 EEBDHM NC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000777921641 1206568717 /nfs/dbraw/zinc/56/87/17/1206568717.db2.gz BAMVOBVLVZFRMR-ZDUSSCGKSA-N -1 3 349.293 2.029 20 5 EEBDHM O=C(OCc1cc(=O)c([O-])co1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778169980 1207768467 /nfs/dbraw/zinc/76/84/67/1207768467.db2.gz PDAUTXOVCHOZMY-UHFFFAOYSA-N -1 3 341.222 2.089 20 5 EEBDHM CCN(CCCNC(=O)CCC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095867096 1211563966 /nfs/dbraw/zinc/56/39/66/1211563966.db2.gz AHVZWBDGPOSRHI-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM COc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000800262778 1233998072 /nfs/dbraw/zinc/99/80/72/1233998072.db2.gz OBUQNBLPKUMJOL-UHFFFAOYSA-N -1 3 346.274 2.371 20 5 EEBDHM COc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000800262778 1233998076 /nfs/dbraw/zinc/99/80/76/1233998076.db2.gz OBUQNBLPKUMJOL-UHFFFAOYSA-N -1 3 346.274 2.371 20 5 EEBDHM COc1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000800262778 1233998080 /nfs/dbraw/zinc/99/80/80/1233998080.db2.gz OBUQNBLPKUMJOL-UHFFFAOYSA-N -1 3 346.274 2.371 20 5 EEBDHM O=C(N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1(C2CC2)CC1 ZINC001057381042 1243527273 /nfs/dbraw/zinc/52/72/73/1243527273.db2.gz WHYCSAJKJHJTHO-UHFFFAOYSA-N -1 3 346.387 2.289 20 5 EEBDHM Cc1cc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)o1 ZINC001101487382 1245892048 /nfs/dbraw/zinc/89/20/48/1245892048.db2.gz BBSWQGKIMIUPLD-UHFFFAOYSA-N -1 3 334.332 2.089 20 5 EEBDHM O=C(NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001057788002 1247825104 /nfs/dbraw/zinc/82/51/04/1247825104.db2.gz GUYQPPDGPWOASR-UHFFFAOYSA-N -1 3 346.387 2.138 20 5 EEBDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@@H](F)C1 ZINC001225659933 1301114181 /nfs/dbraw/zinc/11/41/81/1301114181.db2.gz AJGIEYLYDYIDOQ-WCBMZHEXSA-N -1 3 343.311 2.032 20 5 EEBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ncc([N+](=O)[O-])s1 ZINC001256594784 1318793892 /nfs/dbraw/zinc/79/38/92/1318793892.db2.gz QGRWRPOCWRDECE-UHFFFAOYSA-N -1 3 346.365 2.174 20 5 EEBDHM C[C@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c2nccn21 ZINC001590207746 1349201014 /nfs/dbraw/zinc/20/10/14/1349201014.db2.gz UGNHVWSECVHAPK-WRWORJQWSA-N -1 3 344.310 2.228 20 5 EEBDHM C[C@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c2nccn21 ZINC001590207746 1349201017 /nfs/dbraw/zinc/20/10/17/1349201017.db2.gz UGNHVWSECVHAPK-WRWORJQWSA-N -1 3 344.310 2.228 20 5 EEBDHM O=[N+]([O-])c1cc(Br)ccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC001307196961 1331515972 /nfs/dbraw/zinc/51/59/72/1331515972.db2.gz JBZONFASWIOVTL-UHFFFAOYSA-N -1 3 349.148 2.009 20 5 EEBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001310847844 1331716966 /nfs/dbraw/zinc/71/69/66/1331716966.db2.gz BZOMKJATLANUIF-UHFFFAOYSA-N -1 3 349.372 2.263 20 5 EEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001609577422 1352023579 /nfs/dbraw/zinc/02/35/79/1352023579.db2.gz LAKNXDLVVKJUHB-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001609577422 1352023585 /nfs/dbraw/zinc/02/35/85/1352023585.db2.gz LAKNXDLVVKJUHB-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC001589460301 1348992398 /nfs/dbraw/zinc/99/23/98/1348992398.db2.gz OCNCVEKQPKAPOL-DZGCQCFKSA-N -1 3 348.407 2.476 20 5 EEBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cccs1 ZINC001589991825 1349097500 /nfs/dbraw/zinc/09/75/00/1349097500.db2.gz SXOXKGAGUFYRON-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cccs1 ZINC001589991825 1349097505 /nfs/dbraw/zinc/09/75/05/1349097505.db2.gz SXOXKGAGUFYRON-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM COCC(C)(C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591368617 1349473290 /nfs/dbraw/zinc/47/32/90/1349473290.db2.gz RTTZNYUOJHRJRY-UHFFFAOYSA-N -1 3 349.395 2.222 20 5 EEBDHM COCC(C)(C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591368617 1349473292 /nfs/dbraw/zinc/47/32/92/1349473292.db2.gz RTTZNYUOJHRJRY-UHFFFAOYSA-N -1 3 349.395 2.222 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCCS1 ZINC001593295860 1349770223 /nfs/dbraw/zinc/77/02/23/1349770223.db2.gz FTNRFAAPBHBGRD-LBPRGKRZSA-N -1 3 349.372 2.104 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCCCS1 ZINC001593295860 1349770229 /nfs/dbraw/zinc/77/02/29/1349770229.db2.gz FTNRFAAPBHBGRD-LBPRGKRZSA-N -1 3 349.372 2.104 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1C1CCOCC1 ZINC001593470785 1349805963 /nfs/dbraw/zinc/80/59/63/1349805963.db2.gz LHSXLOQHCGMUHQ-WCQYABFASA-N -1 3 330.348 2.002 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1C1CCOCC1 ZINC001593470785 1349805966 /nfs/dbraw/zinc/80/59/66/1349805966.db2.gz LHSXLOQHCGMUHQ-WCQYABFASA-N -1 3 330.348 2.002 20 5 EEBDHM O=[N+]([O-])c1cncc(Cl)c1OCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593486863 1349815608 /nfs/dbraw/zinc/81/56/08/1349815608.db2.gz AGEWVWBZIJJTRR-UHFFFAOYSA-N -1 3 346.734 2.445 20 5 EEBDHM O=[N+]([O-])c1cncc(Cl)c1OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593486863 1349815611 /nfs/dbraw/zinc/81/56/11/1349815611.db2.gz AGEWVWBZIJJTRR-UHFFFAOYSA-N -1 3 346.734 2.445 20 5 EEBDHM O=c1c2ccccc2n(Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001593493314 1349818393 /nfs/dbraw/zinc/81/83/93/1349818393.db2.gz GQRDDFNWERKJRB-UHFFFAOYSA-N -1 3 348.322 2.138 20 5 EEBDHM O=c1c2ccccc2n(Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001593493314 1349818399 /nfs/dbraw/zinc/81/83/99/1349818399.db2.gz GQRDDFNWERKJRB-UHFFFAOYSA-N -1 3 348.322 2.138 20 5 EEBDHM O=C([O-])[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001601674466 1350334665 /nfs/dbraw/zinc/33/46/65/1350334665.db2.gz NLZUSHCGLGARMS-LLVKDONJSA-N -1 3 329.150 2.310 20 5 EEBDHM CC(C)CC[C@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603278353 1350678609 /nfs/dbraw/zinc/67/86/09/1350678609.db2.gz NQXCKTQSNAFPJX-HNNXBMFYSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)CC[C@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603278353 1350678614 /nfs/dbraw/zinc/67/86/14/1350678614.db2.gz NQXCKTQSNAFPJX-HNNXBMFYSA-N -1 3 334.380 2.374 20 5 EEBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1[C@@H]1CCCO1 ZINC001603786987 1350767512 /nfs/dbraw/zinc/76/75/12/1350767512.db2.gz GFEQGUAXKUJOBF-KBPBESRZSA-N -1 3 344.375 2.169 20 5 EEBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1[C@@H]1CCCO1 ZINC001603786987 1350767514 /nfs/dbraw/zinc/76/75/14/1350767514.db2.gz GFEQGUAXKUJOBF-KBPBESRZSA-N -1 3 344.375 2.169 20 5 EEBDHM C[C@@](CC(=O)[O-])(NCCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001604089767 1350852785 /nfs/dbraw/zinc/85/27/85/1350852785.db2.gz HGEUBPNQEVXGSM-KRWDZBQOSA-N -1 3 345.355 2.348 20 5 EEBDHM CCc1nocc1CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604588292 1350966042 /nfs/dbraw/zinc/96/60/42/1350966042.db2.gz UMRSNBUMHZFBNW-UHFFFAOYSA-N -1 3 343.347 2.270 20 5 EEBDHM CCc1nocc1CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604588292 1350966043 /nfs/dbraw/zinc/96/60/43/1350966043.db2.gz UMRSNBUMHZFBNW-UHFFFAOYSA-N -1 3 343.347 2.270 20 5 EEBDHM CSC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001605368748 1351145629 /nfs/dbraw/zinc/14/56/29/1351145629.db2.gz MVVTXORPTQZQFK-UHFFFAOYSA-N -1 3 349.372 2.104 20 5 EEBDHM CSC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001605368748 1351145633 /nfs/dbraw/zinc/14/56/33/1351145633.db2.gz MVVTXORPTQZQFK-UHFFFAOYSA-N -1 3 349.372 2.104 20 5 EEBDHM CSC[C@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605376324 1351148496 /nfs/dbraw/zinc/14/84/96/1351148496.db2.gz JKOMTOFCGOVUMR-JTQLQIEISA-N -1 3 334.405 2.354 20 5 EEBDHM CSC[C@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605376324 1351148499 /nfs/dbraw/zinc/14/84/99/1351148499.db2.gz JKOMTOFCGOVUMR-JTQLQIEISA-N -1 3 334.405 2.354 20 5 EEBDHM Cc1c[nH]c(=O)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605499677 1351172318 /nfs/dbraw/zinc/17/23/18/1351172318.db2.gz XPXRDFWAHSQLMP-UHFFFAOYSA-N -1 3 341.331 2.104 20 5 EEBDHM Cc1c[nH]c(=O)c(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605499677 1351172321 /nfs/dbraw/zinc/17/23/21/1351172321.db2.gz XPXRDFWAHSQLMP-UHFFFAOYSA-N -1 3 341.331 2.104 20 5 EEBDHM Cc1cc(NCCCCn2ccnc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605734199 1351219707 /nfs/dbraw/zinc/21/97/07/1351219707.db2.gz ZYQAUTXKNICMJL-UHFFFAOYSA-N -1 3 342.363 2.172 20 5 EEBDHM Cc1cc(NCCCCn2ccnc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605734199 1351219711 /nfs/dbraw/zinc/21/97/11/1351219711.db2.gz ZYQAUTXKNICMJL-UHFFFAOYSA-N -1 3 342.363 2.172 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H](O)C1CCCCC1 ZINC001607082829 1351411262 /nfs/dbraw/zinc/41/12/62/1351411262.db2.gz UPRYJFKRCYDFDC-AWEZNQCLSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H](O)C1CCCCC1 ZINC001607082829 1351411264 /nfs/dbraw/zinc/41/12/64/1351411264.db2.gz UPRYJFKRCYDFDC-AWEZNQCLSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCOCc1ccccc1 ZINC001607084453 1351411852 /nfs/dbraw/zinc/41/18/52/1351411852.db2.gz HHHOAUMYMYODJO-UHFFFAOYSA-N -1 3 340.343 2.404 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCOCc1ccccc1 ZINC001607084453 1351411854 /nfs/dbraw/zinc/41/18/54/1351411854.db2.gz HHHOAUMYMYODJO-UHFFFAOYSA-N -1 3 340.343 2.404 20 5 EEBDHM O=[N+]([O-])c1cnc(N2Cc3cccc(Cl)c3C2)c(-c2nnn[n-]2)c1 ZINC001607086581 1351412702 /nfs/dbraw/zinc/41/27/02/1351412702.db2.gz PBSOWXGCMVRDCG-UHFFFAOYSA-N -1 3 343.734 2.344 20 5 EEBDHM O=[N+]([O-])c1cnc(N2Cc3cccc(Cl)c3C2)c(-c2nn[n-]n2)c1 ZINC001607086581 1351412703 /nfs/dbraw/zinc/41/27/03/1351412703.db2.gz PBSOWXGCMVRDCG-UHFFFAOYSA-N -1 3 343.734 2.344 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC001593218019 1404746631 /nfs/dbraw/zinc/74/66/31/1404746631.db2.gz GWSGAOKFCROMAU-UHFFFAOYSA-N -1 3 340.299 2.498 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC001593218019 1404746637 /nfs/dbraw/zinc/74/66/37/1404746637.db2.gz GWSGAOKFCROMAU-UHFFFAOYSA-N -1 3 340.299 2.498 20 5 EEBDHM CC(C)CC(=O)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001125340223 757542937 /nfs/dbraw/zinc/54/29/37/757542937.db2.gz GDZCGULBXJWXPB-UHFFFAOYSA-N -1 3 338.408 2.415 20 5 EEBDHM Cc1ccc(C(=O)N(C)CCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001105390385 781626527 /nfs/dbraw/zinc/62/65/27/781626527.db2.gz XNZBNWXETUILCH-UHFFFAOYSA-N -1 3 344.371 2.212 20 5 EEBDHM CCc1ccc(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001109663570 805854340 /nfs/dbraw/zinc/85/43/40/805854340.db2.gz PEAFFWHSUUSAHS-UHFFFAOYSA-N -1 3 348.359 2.425 20 5 EEBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1F)c1ccccc1[O-] ZINC001094338203 796112025 /nfs/dbraw/zinc/11/20/25/796112025.db2.gz GLWRASIFKGVZNP-UHFFFAOYSA-N -1 3 334.307 2.067 20 5 EEBDHM CC(C)c1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])on1 ZINC001094584518 796467988 /nfs/dbraw/zinc/46/79/88/796467988.db2.gz MCUBNMWPPVIZOE-UHFFFAOYSA-N -1 3 349.347 2.039 20 5 EEBDHM CC/C(C)=C/C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095226359 797543180 /nfs/dbraw/zinc/54/31/80/797543180.db2.gz GLJOTDFEGTYDLY-ZHACJKMWSA-N -1 3 334.376 2.455 20 5 EEBDHM C/C(=C/C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001109376629 805378768 /nfs/dbraw/zinc/37/87/68/805378768.db2.gz AZNLJNUUJDJEGP-KHPPLWFESA-N -1 3 334.376 2.312 20 5 EEBDHM C[C@](NCCO[C@H]1CCCCO1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593271731 994607201 /nfs/dbraw/zinc/60/72/01/994607201.db2.gz MCNCWGJEYYATBT-GOEBONIOSA-N -1 3 338.360 2.027 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccn2)c(Cl)c1 ZINC000055948514 214350969 /nfs/dbraw/zinc/35/09/69/214350969.db2.gz GMTMCJIAJZGITK-UHFFFAOYSA-N -1 3 341.776 2.164 20 5 EEBDHM O=[N+]([O-])c1cnn(CCNCc2cccc([O-])c2Br)c1 ZINC000459436106 245120269 /nfs/dbraw/zinc/12/02/69/245120269.db2.gz FAHVSSJCZUUXGL-UHFFFAOYSA-N -1 3 341.165 2.049 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000266158613 248138341 /nfs/dbraw/zinc/13/83/41/248138341.db2.gz GVHZESQUUJSAJJ-MRVPVSSYSA-N -1 3 344.780 2.021 20 5 EEBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119215698 221268914 /nfs/dbraw/zinc/26/89/14/221268914.db2.gz LOILVMBLCZLDBX-DOMZBBRYSA-N -1 3 344.433 2.287 20 5 EEBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000120939659 292258778 /nfs/dbraw/zinc/25/87/78/292258778.db2.gz FLVGJKUXTMGXIV-GFCCVEGCSA-N -1 3 330.406 2.161 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)cc1C ZINC000190652603 152214241 /nfs/dbraw/zinc/21/42/41/152214241.db2.gz MLACABBXBGCLDP-BZPMIXESSA-N -1 3 340.401 2.057 20 5 EEBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352318785 153054042 /nfs/dbraw/zinc/05/40/42/153054042.db2.gz DGFNHXHFVFTFOW-APPZFPTMSA-N -1 3 336.822 2.278 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000125739277 292299536 /nfs/dbraw/zinc/29/95/36/292299536.db2.gz NKRGLHSWPXHUDL-SECBINFHSA-N -1 3 334.419 2.201 20 5 EEBDHM COc1cc(OCC(=O)Nc2nc(C)ccc2[O-])ccc1[N+](=O)[O-] ZINC000345924356 161343077 /nfs/dbraw/zinc/34/30/77/161343077.db2.gz ISAUGANPXLEOMZ-UHFFFAOYSA-N -1 3 333.300 2.030 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC000352648504 162228035 /nfs/dbraw/zinc/22/80/35/162228035.db2.gz UVZWBVNBCGPALM-UHFFFAOYSA-N -1 3 346.368 2.029 20 5 EEBDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352879699 162326634 /nfs/dbraw/zinc/32/66/34/162326634.db2.gz GFWXTAJWXJLMJM-NSHDSACASA-N -1 3 336.369 2.210 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000360242709 164265205 /nfs/dbraw/zinc/26/52/05/164265205.db2.gz QJZPDNIQIFJUJH-UHFFFAOYSA-N -1 3 336.369 2.396 20 5 EEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000360474096 164317931 /nfs/dbraw/zinc/31/79/31/164317931.db2.gz NDMSGXSRMUVQRX-QMMMGPOBSA-N -1 3 344.780 2.021 20 5 EEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000360667400 164360808 /nfs/dbraw/zinc/36/08/08/164360808.db2.gz XCMPHAIJDZSNMN-UWVGGRQHSA-N -1 3 347.824 2.009 20 5 EEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000364129569 165028148 /nfs/dbraw/zinc/02/81/48/165028148.db2.gz TZIDZIFSBBSIGK-LSDHHAIUSA-N -1 3 340.401 2.078 20 5 EEBDHM CN(C)c1n[nH]c([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000293585897 293245244 /nfs/dbraw/zinc/24/52/44/293245244.db2.gz ICMCYWDVBKZTCZ-UHFFFAOYSA-N -1 3 344.253 2.050 20 5 EEBDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000416603644 313271042 /nfs/dbraw/zinc/27/10/42/313271042.db2.gz SURUAVDHFVFESO-IINYFYTJSA-N -1 3 328.390 2.077 20 5 EEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000416605643 313271613 /nfs/dbraw/zinc/27/16/13/313271613.db2.gz MSFLWVSZBYBMGH-MRVPVSSYSA-N -1 3 326.296 2.462 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000444215484 315282662 /nfs/dbraw/zinc/28/26/62/315282662.db2.gz QXVDRYSRIRURFI-BDAKNGLRSA-N -1 3 332.353 2.209 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccnc2)c(F)cc1[N+](=O)[O-] ZINC000590588906 468279128 /nfs/dbraw/zinc/27/91/28/468279128.db2.gz CLGVPVOOPZSRPL-SNVBAGLBSA-N -1 3 339.348 2.477 20 5 EEBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000116377397 462757247 /nfs/dbraw/zinc/75/72/47/462757247.db2.gz SLOLKENAZPZUDE-UHFFFAOYSA-N -1 3 327.387 2.265 20 5 EEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000132183828 462844482 /nfs/dbraw/zinc/84/44/82/462844482.db2.gz 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O=C([O-])c1cc(F)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001608850750 1351778718 /nfs/dbraw/zinc/77/87/18/1351778718.db2.gz JNPKPVPUMTWLNS-UHFFFAOYSA-N -1 3 348.334 2.466 20 5 EEBDHM O=C([O-])c1ccc2c(c1)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001608921465 1351794806 /nfs/dbraw/zinc/79/48/06/1351794806.db2.gz SJHQKOKZUVKQTG-KRWDZBQOSA-N -1 3 342.351 2.385 20 5 EEBDHM CN(CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001609276042 1351918008 /nfs/dbraw/zinc/91/80/08/1351918008.db2.gz DFMKVXNALOFVPW-UHFFFAOYSA-N -1 3 339.359 2.323 20 5 EEBDHM COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609354289 1351943281 /nfs/dbraw/zinc/94/32/81/1351943281.db2.gz WKSYOTGXMWQFRU-UHFFFAOYSA-N -1 3 341.283 2.388 20 5 EEBDHM COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609354289 1351943285 /nfs/dbraw/zinc/94/32/85/1351943285.db2.gz WKSYOTGXMWQFRU-UHFFFAOYSA-N -1 3 341.283 2.388 20 5 EEBDHM Cc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609419634 1351969012 /nfs/dbraw/zinc/96/90/12/1351969012.db2.gz SFAVPTYDPIJTTB-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609419634 1351969015 /nfs/dbraw/zinc/96/90/15/1351969015.db2.gz SFAVPTYDPIJTTB-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1cncc([N+](=O)[O-])c1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609440691 1351978618 /nfs/dbraw/zinc/97/86/18/1351978618.db2.gz HZXAGCLNEOPHIR-SNVBAGLBSA-N -1 3 325.332 2.073 20 5 EEBDHM Cc1cncc([N+](=O)[O-])c1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609440691 1351978621 /nfs/dbraw/zinc/97/86/21/1351978621.db2.gz HZXAGCLNEOPHIR-SNVBAGLBSA-N -1 3 325.332 2.073 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOc1ccc(F)cc1 ZINC001609601329 1352031266 /nfs/dbraw/zinc/03/12/66/1352031266.db2.gz IDQLSNSVWBXXAA-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(F)cc1 ZINC001609601329 1352031271 /nfs/dbraw/zinc/03/12/71/1352031271.db2.gz IDQLSNSVWBXXAA-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC001609602234 1352031995 /nfs/dbraw/zinc/03/19/95/1352031995.db2.gz SNAIWBXCZQDFBJ-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC001609602234 1352031997 /nfs/dbraw/zinc/03/19/97/1352031997.db2.gz SNAIWBXCZQDFBJ-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM CC(C)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589738961 1349026156 /nfs/dbraw/zinc/02/61/56/1349026156.db2.gz ALGMLIAIAVHNCH-GFCCVEGCSA-N -1 3 332.364 2.169 20 5 EEBDHM C[C@]1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C=CCC1 ZINC001590070982 1349137262 /nfs/dbraw/zinc/13/72/62/1349137262.db2.gz FAXMBEAFLAKNKZ-HNNXBMFYSA-N -1 3 329.316 2.174 20 5 EEBDHM C[C@]1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C=CCC1 ZINC001590070982 1349137266 /nfs/dbraw/zinc/13/72/66/1349137266.db2.gz FAXMBEAFLAKNKZ-HNNXBMFYSA-N -1 3 329.316 2.174 20 5 EEBDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1sccc1[N+](=O)[O-] ZINC001591052457 1349436010 /nfs/dbraw/zinc/43/60/10/1349436010.db2.gz BMGISFDEUZVNMF-GFCCVEGCSA-N -1 3 346.372 2.006 20 5 EEBDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1sccc1[N+](=O)[O-] ZINC001591052457 1349436015 /nfs/dbraw/zinc/43/60/15/1349436015.db2.gz BMGISFDEUZVNMF-GFCCVEGCSA-N -1 3 346.372 2.006 20 5 EEBDHM COCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001591389311 1349479651 /nfs/dbraw/zinc/47/96/51/1349479651.db2.gz OSSOGTAJJYFWHZ-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001591389311 1349479653 /nfs/dbraw/zinc/47/96/53/1349479653.db2.gz OSSOGTAJJYFWHZ-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COc1cccc2c1CN(c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])C2 ZINC001591643460 1349521332 /nfs/dbraw/zinc/52/13/32/1349521332.db2.gz KSIMWXNAUGIYFW-UHFFFAOYSA-N -1 3 338.327 2.304 20 5 EEBDHM COc1cccc2c1CN(c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])C2 ZINC001591643460 1349521339 /nfs/dbraw/zinc/52/13/39/1349521339.db2.gz KSIMWXNAUGIYFW-UHFFFAOYSA-N -1 3 338.327 2.304 20 5 EEBDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=Cc1ccccc1[N+](=O)[O-] ZINC001593411923 1349798180 /nfs/dbraw/zinc/79/81/80/1349798180.db2.gz RBXVMGICDFFPDO-KPKJPENVSA-N -1 3 334.295 2.268 20 5 EEBDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=Cc1ccccc1[N+](=O)[O-] ZINC001593411923 1349798181 /nfs/dbraw/zinc/79/81/81/1349798181.db2.gz RBXVMGICDFFPDO-KPKJPENVSA-N -1 3 334.295 2.268 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001593468407 1349804344 /nfs/dbraw/zinc/80/43/44/1349804344.db2.gz KOBDSPPKZGRRGY-XPLICSAQSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001593468407 1349804348 /nfs/dbraw/zinc/80/43/48/1349804348.db2.gz KOBDSPPKZGRRGY-XPLICSAQSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC([C@H]3CCCO3)CC2)ccc1-c1nnn[n-]1 ZINC001593470259 1349806147 /nfs/dbraw/zinc/80/61/47/1349806147.db2.gz BLFWKNRWMWUFEK-OAHLLOKOSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CCC3)O2)ccc1-c1nnn[n-]1 ZINC001593473428 1349807765 /nfs/dbraw/zinc/80/77/65/1349807765.db2.gz CBYMRQUEFIKMSI-NSHDSACASA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC001593475105 1349809221 /nfs/dbraw/zinc/80/92/21/1349809221.db2.gz UIHVJXJFDRNLGM-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC001593475105 1349809222 /nfs/dbraw/zinc/80/92/22/1349809222.db2.gz UIHVJXJFDRNLGM-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM Cc1cc(N2CCN(C)C[C@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC001600240766 1349999586 /nfs/dbraw/zinc/99/95/86/1349999586.db2.gz ZQMAEWVXAVSDRZ-JTQLQIEISA-N -1 3 327.768 2.009 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCC(=O)[O-])CC(C)C ZINC001600552545 1350080508 /nfs/dbraw/zinc/08/05/08/1350080508.db2.gz WUFWXXCJIASOOP-UHFFFAOYSA-N -1 3 337.376 2.274 20 5 EEBDHM Cn1ccnc1[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001600984935 1350183029 /nfs/dbraw/zinc/18/30/29/1350183029.db2.gz ZUFWDRITHBWZQF-GFCCVEGCSA-N -1 3 330.344 2.016 20 5 EEBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OCC1CC1 ZINC001603150655 1350650823 /nfs/dbraw/zinc/65/08/23/1350650823.db2.gz JFFHCADCQLVKDU-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OCC1CC1 ZINC001603150655 1350650827 /nfs/dbraw/zinc/65/08/27/1350650827.db2.gz JFFHCADCQLVKDU-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001604099309 1350857081 /nfs/dbraw/zinc/85/70/81/1350857081.db2.gz KETWKBWAKJDUMG-DTWKUNHWSA-N -1 3 336.327 2.284 20 5 EEBDHM CC[C@@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001604099309 1350857085 /nfs/dbraw/zinc/85/70/85/1350857085.db2.gz KETWKBWAKJDUMG-DTWKUNHWSA-N -1 3 336.327 2.284 20 5 EEBDHM CCOC1CC(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001604409684 1350931595 /nfs/dbraw/zinc/93/15/95/1350931595.db2.gz WXCQKDODHBYEOQ-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001605884505 1351246050 /nfs/dbraw/zinc/24/60/50/1351246050.db2.gz IWHBNLAQUPBEFC-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001605884505 1351246052 /nfs/dbraw/zinc/24/60/52/1351246052.db2.gz IWHBNLAQUPBEFC-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1ccc([C@H](O)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001605884643 1351246088 /nfs/dbraw/zinc/24/60/88/1351246088.db2.gz SKFYLMJWQHHRBJ-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([C@H](O)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001605884643 1351246091 /nfs/dbraw/zinc/24/60/91/1351246091.db2.gz SKFYLMJWQHHRBJ-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1cccc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001605913139 1351252483 /nfs/dbraw/zinc/25/24/83/1351252483.db2.gz DZLWGMQVYRPCRN-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1cccc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001605913139 1351252486 /nfs/dbraw/zinc/25/24/86/1351252486.db2.gz DZLWGMQVYRPCRN-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1nc(C)c(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001606038971 1351265548 /nfs/dbraw/zinc/26/55/48/1351265548.db2.gz QRMNZGWRTDYQDQ-UHFFFAOYSA-N -1 3 331.361 2.460 20 5 EEBDHM Cc1nc(C)c(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001606038971 1351265549 /nfs/dbraw/zinc/26/55/49/1351265549.db2.gz QRMNZGWRTDYQDQ-UHFFFAOYSA-N -1 3 331.361 2.460 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2sccc2C1 ZINC001607081615 1351410180 /nfs/dbraw/zinc/41/01/80/1351410180.db2.gz IUBATSNKMXQSRN-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2sccc2C1 ZINC001607081615 1351410183 /nfs/dbraw/zinc/41/01/83/1351410183.db2.gz IUBATSNKMXQSRN-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001607081643 1351410210 /nfs/dbraw/zinc/41/02/10/1351410210.db2.gz GFVZSXUBWZIHRS-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001607081643 1351410213 /nfs/dbraw/zinc/41/02/13/1351410213.db2.gz GFVZSXUBWZIHRS-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=C(CC1CCC1)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095348110 1369658398 /nfs/dbraw/zinc/65/83/98/1369658398.db2.gz QSTVCJFPAKZKFQ-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001112072713 1371349493 /nfs/dbraw/zinc/34/94/93/1371349493.db2.gz KVFLEEMZPUBQND-UHFFFAOYSA-N -1 3 334.376 2.090 20 5 EEBDHM CC(C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCCC1 ZINC001105367648 780848562 /nfs/dbraw/zinc/84/85/62/780848562.db2.gz TZXGMIHAJLTEHJ-UHFFFAOYSA-N -1 3 348.403 2.481 20 5 EEBDHM O=C(CCCC1CC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107459224 787269956 /nfs/dbraw/zinc/26/99/56/787269956.db2.gz CHOJKMHOKFCKKD-OWOJBTEDSA-N -1 3 334.376 2.360 20 5 EEBDHM CC(F)(F)CCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107583643 787759150 /nfs/dbraw/zinc/75/91/50/787759150.db2.gz JDZVLKFGMCHYNB-NSCUHMNNSA-N -1 3 344.318 2.215 20 5 EEBDHM CCc1[nH]ccc1C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106749427 796450128 /nfs/dbraw/zinc/45/01/28/796450128.db2.gz AHVNNIAONHFDJA-UHFFFAOYSA-N -1 3 347.375 2.160 20 5 EEBDHM C=C/C(C)=C/CC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095201939 797507732 /nfs/dbraw/zinc/50/77/32/797507732.db2.gz WODQECZAFUGDFE-WLRTZDKTSA-N -1 3 346.387 2.257 20 5 EEBDHM O=C(NCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000804353888 804545477 /nfs/dbraw/zinc/54/54/77/804545477.db2.gz FLJUCQWSVRRGIA-UHFFFAOYSA-N -1 3 346.299 2.051 20 5 EEBDHM COc1cc(CNc2ccc(C3(O)COC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000808434079 812652703 /nfs/dbraw/zinc/65/27/03/812652703.db2.gz WSHAHVSAEXLPGE-UHFFFAOYSA-N -1 3 346.339 2.139 20 5 EEBDHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000068973785 215350631 /nfs/dbraw/zinc/35/06/31/215350631.db2.gz YKMGIXSUVVBSMG-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000068973785 215350635 /nfs/dbraw/zinc/35/06/35/215350635.db2.gz YKMGIXSUVVBSMG-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000452056839 243336892 /nfs/dbraw/zinc/33/68/92/243336892.db2.gz XKEDKPWQWAJRRM-UHFFFAOYSA-N -1 3 346.380 2.219 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)cc1C ZINC000271250523 256225293 /nfs/dbraw/zinc/22/52/93/256225293.db2.gz HUADTUWARGQYPS-STQMWFEESA-N -1 3 342.417 2.305 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000272868144 256245056 /nfs/dbraw/zinc/24/50/56/256245056.db2.gz RYXKUMSLEARLLE-UHFFFAOYSA-N -1 3 346.405 2.087 20 5 EEBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000359754538 292153558 /nfs/dbraw/zinc/15/35/58/292153558.db2.gz AFSGJLSHLGNPRK-UHFFFAOYSA-N -1 3 342.417 2.468 20 5 EEBDHM CN(C)CCN(Cc1ccco1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119175915 292242658 /nfs/dbraw/zinc/24/26/58/292242658.db2.gz JAXWAQAHKQZGOG-UHFFFAOYSA-N -1 3 333.344 2.097 20 5 EEBDHM Cc1cncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000120907929 159396393 /nfs/dbraw/zinc/39/63/93/159396393.db2.gz KDSXMBDTCPBFCJ-UHFFFAOYSA-N -1 3 341.776 2.430 20 5 EEBDHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341959234 161027274 /nfs/dbraw/zinc/02/72/74/161027274.db2.gz FRQNLHTZKQTKMC-NSHDSACASA-N -1 3 347.412 2.133 20 5 EEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1(C)C ZINC000342504848 161070311 /nfs/dbraw/zinc/07/03/11/161070311.db2.gz ICLLFHHNVWZDJB-UWVGGRQHSA-N -1 3 334.419 2.057 20 5 EEBDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCN1C ZINC000343962536 161184989 /nfs/dbraw/zinc/18/49/89/161184989.db2.gz CGVCKDAFDQMLBD-GXSJLCMTSA-N -1 3 347.824 2.009 20 5 EEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344248185 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CC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000601379224 468849736 /nfs/dbraw/zinc/84/97/36/468849736.db2.gz VPANEJLHEUJWAA-WCQYABFASA-N -1 3 346.380 2.278 20 5 EEBDHM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cs1 ZINC000617226393 469622203 /nfs/dbraw/zinc/62/22/03/469622203.db2.gz PLHVUZIKSANAIU-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccn1)C1CC1 ZINC000738357139 578010508 /nfs/dbraw/zinc/01/05/08/578010508.db2.gz COVWZYINRQUUAV-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccccn1)C1CC1 ZINC000738357139 578010509 /nfs/dbraw/zinc/01/05/09/578010509.db2.gz COVWZYINRQUUAV-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM CN(C)Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000738516047 578017859 /nfs/dbraw/zinc/01/78/59/578017859.db2.gz KFRWWZOKXCQKDB-UHFFFAOYSA-N -1 3 344.371 2.029 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCNc1ccccc1 ZINC000759098993 577637000 /nfs/dbraw/zinc/63/70/00/577637000.db2.gz NONJJJCZEXNDIS-UHFFFAOYSA-N -1 3 335.385 2.294 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccn2C)cc1[N+](=O)[O-] ZINC000752251892 577767969 /nfs/dbraw/zinc/76/79/69/577767969.db2.gz COMOKTRQZIWHQB-UHFFFAOYSA-N -1 3 343.792 2.374 20 5 EEBDHM CCc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821486284 599183337 /nfs/dbraw/zinc/18/33/37/599183337.db2.gz BKRNYMYGXWBAGT-UHFFFAOYSA-N -1 3 339.359 2.369 20 5 EEBDHM CCc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821486284 599183338 /nfs/dbraw/zinc/18/33/38/599183338.db2.gz BKRNYMYGXWBAGT-UHFFFAOYSA-N -1 3 339.359 2.369 20 5 EEBDHM O=C([O-])c1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000263472224 601013150 /nfs/dbraw/zinc/01/31/50/601013150.db2.gz LROUYQMOHLRWSW-CQSZACIVSA-N -1 3 342.355 2.374 20 5 EEBDHM COc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821724890 606221919 /nfs/dbraw/zinc/22/19/19/606221919.db2.gz ZGSNKHOSWTVYLZ-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821724890 606221921 /nfs/dbraw/zinc/22/19/21/606221921.db2.gz ZGSNKHOSWTVYLZ-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623481 606243223 /nfs/dbraw/zinc/24/32/23/606243223.db2.gz RUNPAZUGOTUOJA-UKRRQHHQSA-N -1 3 332.364 2.128 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623481 606243225 /nfs/dbraw/zinc/24/32/25/606243225.db2.gz RUNPAZUGOTUOJA-UKRRQHHQSA-N -1 3 332.364 2.128 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822271343 606270442 /nfs/dbraw/zinc/27/04/42/606270442.db2.gz XZBYCZWKKKMTRL-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822271343 606270443 /nfs/dbraw/zinc/27/04/43/606270443.db2.gz XZBYCZWKKKMTRL-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccn2ccnc2c1 ZINC000823629658 606794459 /nfs/dbraw/zinc/79/44/59/606794459.db2.gz DJEDOYXOGSDIGK-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccn2ccnc2c1 ZINC000823629658 606794461 /nfs/dbraw/zinc/79/44/61/606794461.db2.gz DJEDOYXOGSDIGK-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000823427036 606989684 /nfs/dbraw/zinc/98/96/84/606989684.db2.gz SEKGUSJXKWLBJH-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])s1 ZINC000823427036 606989685 /nfs/dbraw/zinc/98/96/85/606989685.db2.gz SEKGUSJXKWLBJH-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823083107 607249025 /nfs/dbraw/zinc/24/90/25/607249025.db2.gz WIDCODAYRHDEJG-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823083107 607249026 /nfs/dbraw/zinc/24/90/26/607249026.db2.gz WIDCODAYRHDEJG-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822213131 607250300 /nfs/dbraw/zinc/25/03/00/607250300.db2.gz WBCPQSFFJGYTEN-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822213131 607250301 /nfs/dbraw/zinc/25/03/01/607250301.db2.gz WBCPQSFFJGYTEN-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826497407 607820952 /nfs/dbraw/zinc/82/09/52/607820952.db2.gz GGTDOOKQTXVBPD-GDLCADMTSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826497407 607820953 /nfs/dbraw/zinc/82/09/53/607820953.db2.gz GGTDOOKQTXVBPD-GDLCADMTSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498281 607870202 /nfs/dbraw/zinc/87/02/02/607870202.db2.gz OFZVORLCCRJGIB-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498281 607870203 /nfs/dbraw/zinc/87/02/03/607870203.db2.gz OFZVORLCCRJGIB-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM Cc1c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826242940 607873112 /nfs/dbraw/zinc/87/31/12/607873112.db2.gz MTCYWHBGBJCVCR-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1c(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826242940 607873113 /nfs/dbraw/zinc/87/31/13/607873113.db2.gz MTCYWHBGBJCVCR-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826304486 608008908 /nfs/dbraw/zinc/00/89/08/608008908.db2.gz MSZFTBIMSYPIIL-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826304486 608008909 /nfs/dbraw/zinc/00/89/09/608008909.db2.gz MSZFTBIMSYPIIL-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM O=C(NC/C=C\CNc1ncccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001107046826 1193005345 /nfs/dbraw/zinc/00/53/45/1193005345.db2.gz GVMSLOPKCWVMPP-ARJAWSKDSA-N -1 3 328.328 2.094 20 5 EEBDHM CC(C)(C)/C=C\C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107079264 1193150943 /nfs/dbraw/zinc/15/09/43/1193150943.db2.gz SVBDNADVZGYDRH-LMJRQTCTSA-N -1 3 334.376 2.382 20 5 EEBDHM COc1cc([C@H]2Nc3cc(C)ccc3C(=O)N2)c([N+](=O)[O-])cc1[O-] ZINC000877863901 1200141562 /nfs/dbraw/zinc/14/15/62/1200141562.db2.gz LEKJMYMADHYQBL-HNNXBMFYSA-N -1 3 329.312 2.472 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000005693692 1205470221 /nfs/dbraw/zinc/47/02/21/1205470221.db2.gz BUZGDJRGNDZBMJ-UHFFFAOYSA-N -1 3 330.296 2.404 20 5 EEBDHM CN(CCCNC(=O)C(C1CC1)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095629560 1205897116 /nfs/dbraw/zinc/89/71/16/1205897116.db2.gz DVRCZONYWFRNMT-UHFFFAOYSA-N -1 3 348.403 2.074 20 5 EEBDHM CN(CCCNC(=O)C(C)(C)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095704763 1205921071 /nfs/dbraw/zinc/92/10/71/1205921071.db2.gz GHVJYCJHWOUUHD-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM COC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000777929280 1206577096 /nfs/dbraw/zinc/57/70/96/1206577096.db2.gz SGKSNSFAVFWPSE-UHFFFAOYSA-N -1 3 342.298 2.289 20 5 EEBDHM O=C(C=C1CCC1)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096021652 1233700355 /nfs/dbraw/zinc/70/03/55/1233700355.db2.gz AHTGOOXEOQYDOO-UHFFFAOYSA-N -1 3 346.387 2.281 20 5 EEBDHM O=C(C1CCCC1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057268836 1242938519 /nfs/dbraw/zinc/93/85/19/1242938519.db2.gz HFMSZNSMHWKYPQ-UHFFFAOYSA-N -1 3 334.376 2.289 20 5 EEBDHM C/C(=C\C(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1)C1CC1 ZINC001101294736 1245623274 /nfs/dbraw/zinc/62/32/74/1245623274.db2.gz AEDXKMGSMYDBNK-ZHACJKMWSA-N -1 3 346.387 2.137 20 5 EEBDHM Cc1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001101605358 1246017860 /nfs/dbraw/zinc/01/78/60/1246017860.db2.gz NXOQPGOWLWYXRK-UHFFFAOYSA-N -1 3 344.371 2.496 20 5 EEBDHM O=C(NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCCC1 ZINC001057783253 1247669397 /nfs/dbraw/zinc/66/93/97/1247669397.db2.gz PSPYCCNKMMHBIQ-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM CC(C)(C)OC(=O)NCC(F)(F)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853485222 1292395312 /nfs/dbraw/zinc/39/53/12/1292395312.db2.gz DSYCGBTUHJOLGO-UHFFFAOYSA-N -1 3 348.306 2.267 20 5 EEBDHM O=C1O[C@@H](COc2nccc([O-])c2[N+](=O)[O-])CN1c1cccc(F)c1 ZINC001225667081 1301117361 /nfs/dbraw/zinc/11/73/61/1301117361.db2.gz PBAQLAFBMKEOQZ-LLVKDONJSA-N -1 3 349.274 2.239 20 5 EEBDHM CCOC(=O)N1CCC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])CC1 ZINC001228687461 1302380277 /nfs/dbraw/zinc/38/02/77/1302380277.db2.gz XHTVYPMHYSKOSI-UHFFFAOYSA-N -1 3 325.321 2.004 20 5 EEBDHM COC(=O)[C@H](Cc1ccccc1)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686780 1302381271 /nfs/dbraw/zinc/38/12/71/1302381271.db2.gz QVUGQGCGUCTCGF-ZDUSSCGKSA-N -1 3 332.312 2.167 20 5 EEBDHM Nc1c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc(F)cc1[N+](=O)[O-] ZINC000837451979 1315083869 /nfs/dbraw/zinc/08/38/69/1315083869.db2.gz OROUBIRNSYUFTI-UHFFFAOYSA-N -1 3 348.290 2.046 20 5 EEBDHM O=[N+]([O-])c1c(-c2nnc(C3CCOCC3)o2)[n-]nc1C(F)(F)F ZINC001255704928 1318517735 /nfs/dbraw/zinc/51/77/35/1318517735.db2.gz JMGVQEJITYNSIJ-UHFFFAOYSA-N -1 3 333.226 2.281 20 5 EEBDHM O=[N+]([O-])c1c(-c2nnc(C3CCOCC3)o2)n[n-]c1C(F)(F)F ZINC001255704928 1318517747 /nfs/dbraw/zinc/51/77/47/1318517747.db2.gz JMGVQEJITYNSIJ-UHFFFAOYSA-N -1 3 333.226 2.281 20 5 EEBDHM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609091338 1351838711 /nfs/dbraw/zinc/83/87/11/1351838711.db2.gz OBNGZMXOHFZWBY-QWRGUYRKSA-N -1 3 331.332 2.110 20 5 EEBDHM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609091338 1351838713 /nfs/dbraw/zinc/83/87/13/1351838713.db2.gz OBNGZMXOHFZWBY-QWRGUYRKSA-N -1 3 331.332 2.110 20 5 EEBDHM CC[C@@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC ZINC001609186039 1351881405 /nfs/dbraw/zinc/88/14/05/1351881405.db2.gz SHFPEYJZXCHLCI-NOZJJQNGSA-N -1 3 348.363 2.165 20 5 EEBDHM CC[C@@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC ZINC001609186039 1351881407 /nfs/dbraw/zinc/88/14/07/1351881407.db2.gz SHFPEYJZXCHLCI-NOZJJQNGSA-N -1 3 348.363 2.165 20 5 EEBDHM CCc1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001609251633 1351910005 /nfs/dbraw/zinc/91/00/05/1351910005.db2.gz DWSQQFVKPDZCOT-UHFFFAOYSA-N -1 3 339.359 2.369 20 5 EEBDHM CCc1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001609251633 1351910007 /nfs/dbraw/zinc/91/00/07/1351910007.db2.gz DWSQQFVKPDZCOT-UHFFFAOYSA-N -1 3 339.359 2.369 20 5 EEBDHM CCc1cnccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609254127 1351910850 /nfs/dbraw/zinc/91/08/50/1351910850.db2.gz KSFYTWOVGDNDKT-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM CCc1cnccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609254127 1351910851 /nfs/dbraw/zinc/91/08/51/1351910851.db2.gz KSFYTWOVGDNDKT-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM COc1cccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001609362176 1351947104 /nfs/dbraw/zinc/94/71/04/1351947104.db2.gz XXQCRIIULOCJCK-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1cccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001609362176 1351947106 /nfs/dbraw/zinc/94/71/06/1351947106.db2.gz XXQCRIIULOCJCK-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1ccccc1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609363580 1351947259 /nfs/dbraw/zinc/94/72/59/1351947259.db2.gz JOVIDBQQHUOKRH-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM COc1ccccc1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609363580 1351947260 /nfs/dbraw/zinc/94/72/60/1351947260.db2.gz JOVIDBQQHUOKRH-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM Cc1cc(NCC(C)(C)C(C)(C)O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409832 1351964971 /nfs/dbraw/zinc/96/49/71/1351964971.db2.gz YMJBGNNOSXITNU-UHFFFAOYSA-N -1 3 334.380 2.292 20 5 EEBDHM Cc1cc(NCC(C)(C)C(C)(C)O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409832 1351964975 /nfs/dbraw/zinc/96/49/75/1351964975.db2.gz YMJBGNNOSXITNU-UHFFFAOYSA-N -1 3 334.380 2.292 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001609600393 1352030462 /nfs/dbraw/zinc/03/04/62/1352030462.db2.gz HHKPHWLMJBBDSF-ZYHUDNBSSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001609600393 1352030466 /nfs/dbraw/zinc/03/04/66/1352030466.db2.gz HHKPHWLMJBBDSF-ZYHUDNBSSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609603455 1352032822 /nfs/dbraw/zinc/03/28/22/1352032822.db2.gz FOVRJVGUCPGDRH-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609603455 1352032827 /nfs/dbraw/zinc/03/28/27/1352032827.db2.gz FOVRJVGUCPGDRH-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001340844114 1337255632 /nfs/dbraw/zinc/25/56/32/1337255632.db2.gz QYPQVBWOMDDJJP-UHFFFAOYSA-N -1 3 335.179 2.188 20 5 EEBDHM Cc1cc(NCCc2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC001581029922 1344583127 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COC(=O)c1cncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000758866993 577632694 /nfs/dbraw/zinc/63/26/94/577632694.db2.gz WQJBCQATIIGONV-UHFFFAOYSA-N -1 3 337.238 2.307 20 5 EEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000736160522 578183782 /nfs/dbraw/zinc/18/37/82/578183782.db2.gz RHAPBZYQQYEVCD-VIFPVBQESA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000736160522 578183783 /nfs/dbraw/zinc/18/37/83/578183783.db2.gz RHAPBZYQQYEVCD-VIFPVBQESA-N -1 3 342.315 2.031 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639752 599056302 /nfs/dbraw/zinc/05/63/02/599056302.db2.gz HAVSIVJQMFABBB-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639752 599056304 /nfs/dbraw/zinc/05/63/04/599056304.db2.gz HAVSIVJQMFABBB-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM COC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000826152293 607569223 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O=C(C=Cc1ccco1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107051312 1193011862 /nfs/dbraw/zinc/01/18/62/1193011862.db2.gz XJCJKFZSYRULPT-SVDNXBLGSA-N -1 3 344.327 2.086 20 5 EEBDHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000016718826 1201661871 /nfs/dbraw/zinc/66/18/71/1201661871.db2.gz GFHPNRFONJTVSR-UKTHLTGXSA-N -1 3 339.307 2.326 20 5 EEBDHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011078024 1205742650 /nfs/dbraw/zinc/74/26/50/1205742650.db2.gz NKLUQCQOLWWASJ-SNVBAGLBSA-N -1 3 330.296 2.484 20 5 EEBDHM CCN(CCCNC(=O)C=C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095857353 1211516045 /nfs/dbraw/zinc/51/60/45/1211516045.db2.gz QNHQBLIHNQPBTA-UHFFFAOYSA-N -1 3 334.376 2.138 20 5 EEBDHM COc1cccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1OC ZINC001212937021 1214667866 /nfs/dbraw/zinc/66/78/66/1214667866.db2.gz JSIRHWBPQFNSLV-UHFFFAOYSA-N -1 3 344.283 2.430 20 5 EEBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000796206238 1215514715 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GCFVJGUIFCUILO-NXEZZACHSA-N -1 3 334.332 2.367 20 5 EEBDHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)co1 ZINC000832478586 1314678357 /nfs/dbraw/zinc/67/83/57/1314678357.db2.gz OBJXNENXTPERNS-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM CCCc1nnc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])o1 ZINC001604247810 1350902258 /nfs/dbraw/zinc/90/22/58/1350902258.db2.gz KBYFSYKBJVONHG-UHFFFAOYSA-N -1 3 333.333 2.262 20 5 EEBDHM CCCc1nnc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])o1 ZINC001604247810 1350902260 /nfs/dbraw/zinc/90/22/60/1350902260.db2.gz KBYFSYKBJVONHG-UHFFFAOYSA-N -1 3 333.333 2.262 20 5 EEBDHM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1nccs1 ZINC001609112008 1351848694 /nfs/dbraw/zinc/84/86/94/1351848694.db2.gz PMEYXGRVGKEKTD-SECBINFHSA-N -1 3 345.388 2.471 20 5 EEBDHM C[C@@H](Cc1ccncc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609116002 1351850087 /nfs/dbraw/zinc/85/00/87/1351850087.db2.gz SZOYGPZYQLABEU-JTQLQIEISA-N -1 3 325.332 2.213 20 5 EEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ncccc1-c1nnn[n-]1 ZINC001609277381 1351918936 /nfs/dbraw/zinc/91/89/36/1351918936.db2.gz BQGUSFMEFRCSGH-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ncccc1-c1nn[n-]n1 ZINC001609277381 1351918941 /nfs/dbraw/zinc/91/89/41/1351918941.db2.gz BQGUSFMEFRCSGH-UHFFFAOYSA-N -1 3 345.750 2.460 20 5 EEBDHM COCC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001609319163 1351931491 /nfs/dbraw/zinc/93/14/91/1351931491.db2.gz HTQZNWBSUPFMPC-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COCC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001609319163 1351931494 /nfs/dbraw/zinc/93/14/94/1351931494.db2.gz HTQZNWBSUPFMPC-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM Cc1cnc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001609439964 1351977776 /nfs/dbraw/zinc/97/77/76/1351977776.db2.gz PSJFCAVQBYWJTE-SSDOTTSWSA-N -1 3 346.376 2.150 20 5 EEBDHM Cc1cnc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001609439964 1351977777 /nfs/dbraw/zinc/97/77/77/1351977777.db2.gz PSJFCAVQBYWJTE-SSDOTTSWSA-N -1 3 346.376 2.150 20 5 EEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc([N+](=O)[O-])cc1 ZINC001609518158 1352002653 /nfs/dbraw/zinc/00/26/53/1352002653.db2.gz CTYIKKWMWZMXOP-YHYXMXQVSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc([N+](=O)[O-])cc1 ZINC001609518158 1352002656 /nfs/dbraw/zinc/00/26/56/1352002656.db2.gz CTYIKKWMWZMXOP-YHYXMXQVSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1csc([N+](=O)[O-])c1 ZINC001583571318 1344918830 /nfs/dbraw/zinc/91/88/30/1344918830.db2.gz XDBNGDYVTNJRNM-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM CC(C)(C)OC(=O)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589154644 1348967073 /nfs/dbraw/zinc/96/70/73/1348967073.db2.gz ALGKJDDCUSAXTJ-UHFFFAOYSA-N -1 3 337.361 2.209 20 5 EEBDHM CC(C)(C)OC(=O)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589154644 1348967077 /nfs/dbraw/zinc/96/70/77/1348967077.db2.gz ALGKJDDCUSAXTJ-UHFFFAOYSA-N -1 3 337.361 2.209 20 5 EEBDHM C[C@H](CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001589795246 1349045518 /nfs/dbraw/zinc/04/55/18/1349045518.db2.gz LIAKAASMCYHSFL-SECBINFHSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H](CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001589795246 1349045524 /nfs/dbraw/zinc/04/55/24/1349045524.db2.gz LIAKAASMCYHSFL-SECBINFHSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C=CCC1 ZINC001590071722 1349137953 /nfs/dbraw/zinc/13/79/53/1349137953.db2.gz VNKHAOLFOOPSNJ-HNNXBMFYSA-N -1 3 329.316 2.174 20 5 EEBDHM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C=CCC1 ZINC001590071722 1349137959 /nfs/dbraw/zinc/13/79/59/1349137959.db2.gz VNKHAOLFOOPSNJ-HNNXBMFYSA-N -1 3 329.316 2.174 20 5 EEBDHM CC1(C)CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])OC1 ZINC001590089761 1349146764 /nfs/dbraw/zinc/14/67/64/1349146764.db2.gz TYJOUPRIDBQHJB-LLVKDONJSA-N -1 3 347.379 2.177 20 5 EEBDHM CC1(C)CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])OC1 ZINC001590089761 1349146769 /nfs/dbraw/zinc/14/67/69/1349146769.db2.gz TYJOUPRIDBQHJB-LLVKDONJSA-N -1 3 347.379 2.177 20 5 EEBDHM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590421567 1349317599 /nfs/dbraw/zinc/31/75/99/1349317599.db2.gz KRUNNETVZIUCJJ-ZCFIWIBFSA-N -1 3 345.285 2.500 20 5 EEBDHM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590421567 1349317604 /nfs/dbraw/zinc/31/76/04/1349317604.db2.gz KRUNNETVZIUCJJ-ZCFIWIBFSA-N -1 3 345.285 2.500 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001590868648 1349406569 /nfs/dbraw/zinc/40/65/69/1349406569.db2.gz UHNFEJFUCLKCTA-NSHDSACASA-N -1 3 348.363 2.307 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC001593474263 1349808162 /nfs/dbraw/zinc/80/81/62/1349808162.db2.gz NDLZDKKZFZLXBZ-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2ncn(Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC001593474263 1349808167 /nfs/dbraw/zinc/80/81/67/1349808167.db2.gz 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C[C@@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001575468697 1343801289 /nfs/dbraw/zinc/80/12/89/1343801289.db2.gz FBBWUYLVVVKMDJ-MRXNPFEDSA-N -1 3 340.343 2.095 20 5 EEBDHM CC(C)(C)c1nc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n[nH]1 ZINC001589247803 1348974830 /nfs/dbraw/zinc/97/48/30/1348974830.db2.gz SUXKWASZSLVFRD-UHFFFAOYSA-N -1 3 346.376 2.342 20 5 EEBDHM CC(C)(C)c1nc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n[nH]1 ZINC001589247803 1348974832 /nfs/dbraw/zinc/97/48/32/1348974832.db2.gz SUXKWASZSLVFRD-UHFFFAOYSA-N -1 3 346.376 2.342 20 5 EEBDHM CC(C)[C@@H](CO)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001589460412 1348991838 /nfs/dbraw/zinc/99/18/38/1348991838.db2.gz PQSSBAVGRZZGPV-UKRRQHHQSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](CO)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001589460412 1348991843 /nfs/dbraw/zinc/99/18/43/1348991843.db2.gz PQSSBAVGRZZGPV-UKRRQHHQSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](CO)C(C)C ZINC001589460410 1348992517 /nfs/dbraw/zinc/99/25/17/1348992517.db2.gz PQSSBAVGRZZGPV-DZGCQCFKSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](CO)C(C)C ZINC001589460410 1348992518 /nfs/dbraw/zinc/99/25/18/1348992518.db2.gz PQSSBAVGRZZGPV-DZGCQCFKSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001589475318 1348993374 /nfs/dbraw/zinc/99/33/74/1348993374.db2.gz LTACMJLPWSCAAE-CQSZACIVSA-N -1 3 342.363 2.318 20 5 EEBDHM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001589475318 1348993375 /nfs/dbraw/zinc/99/33/75/1348993375.db2.gz LTACMJLPWSCAAE-CQSZACIVSA-N -1 3 342.363 2.318 20 5 EEBDHM CO[C@@H]1CCC[C@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591359090 1349471855 /nfs/dbraw/zinc/47/18/55/1349471855.db2.gz ASKOIBRPUJXBHA-ISVAXAHUSA-N -1 3 336.327 2.141 20 5 EEBDHM CO[C@@H]1CCC[C@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591359090 1349471859 /nfs/dbraw/zinc/47/18/59/1349471859.db2.gz ASKOIBRPUJXBHA-ISVAXAHUSA-N -1 3 336.327 2.141 20 5 EEBDHM Cc1csc([C@H](C)NCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001592312559 1349620016 /nfs/dbraw/zinc/62/00/16/1349620016.db2.gz KIAQMFBURWGKHJ-VIFPVBQESA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1csc([C@H](C)NCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001592312559 1349620017 /nfs/dbraw/zinc/62/00/17/1349620017.db2.gz KIAQMFBURWGKHJ-VIFPVBQESA-N -1 3 345.388 2.391 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H]3CCCC[C@H]3C2)c1-c1nnn[n-]1 ZINC001592755923 1349712420 /nfs/dbraw/zinc/71/24/20/1349712420.db2.gz DLFQZODYMZJWAO-QWRGUYRKSA-N -1 3 343.391 2.374 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H]3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC001592755923 1349712425 /nfs/dbraw/zinc/71/24/25/1349712425.db2.gz DLFQZODYMZJWAO-QWRGUYRKSA-N -1 3 343.391 2.374 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001593302520 1349774020 /nfs/dbraw/zinc/77/40/20/1349774020.db2.gz YZHOUUVFLBIUJV-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001593302520 1349774022 /nfs/dbraw/zinc/77/40/22/1349774022.db2.gz YZHOUUVFLBIUJV-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001593305562 1349775846 /nfs/dbraw/zinc/77/58/46/1349775846.db2.gz UVNMJWQSIZMYFD-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001593305562 1349775849 /nfs/dbraw/zinc/77/58/49/1349775849.db2.gz UVNMJWQSIZMYFD-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC001593473413 1349807995 /nfs/dbraw/zinc/80/79/95/1349807995.db2.gz BEPMLGAGLXHZIR-IACUBPJLSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1noc2c1CCCC2 ZINC001593474710 1349809237 /nfs/dbraw/zinc/80/92/37/1349809237.db2.gz HCAXPHZMBMQHQC-UHFFFAOYSA-N -1 3 341.331 2.254 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1noc2c1CCCC2 ZINC001593474710 1349809239 /nfs/dbraw/zinc/80/92/39/1349809239.db2.gz HCAXPHZMBMQHQC-UHFFFAOYSA-N -1 3 341.331 2.254 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)o1 ZINC001593475592 1349809839 /nfs/dbraw/zinc/80/98/39/1349809839.db2.gz YGIFHNRAAGAUTD-UHFFFAOYSA-N -1 3 325.244 2.085 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)o1 ZINC001593475592 1349809841 /nfs/dbraw/zinc/80/98/41/1349809841.db2.gz YGIFHNRAAGAUTD-UHFFFAOYSA-N -1 3 325.244 2.085 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ncc(Cl)s1 ZINC001593482470 1349813623 /nfs/dbraw/zinc/81/36/23/1349813623.db2.gz BBBDRQUDXROAGS-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ncc(Cl)s1 ZINC001593482470 1349813626 /nfs/dbraw/zinc/81/36/26/1349813626.db2.gz BBBDRQUDXROAGS-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603066313 1350630531 /nfs/dbraw/zinc/63/05/31/1350630531.db2.gz SWSLAOMCCLNNMG-ZDUSSCGKSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603066313 1350630535 /nfs/dbraw/zinc/63/05/35/1350630535.db2.gz SWSLAOMCCLNNMG-ZDUSSCGKSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@]1(F)Cl ZINC001603800587 1350771025 /nfs/dbraw/zinc/77/10/25/1350771025.db2.gz PJSQUKRJUWVORI-RYUDHWBXSA-N -1 3 341.734 2.287 20 5 EEBDHM C[C@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@]1(F)Cl ZINC001603800587 1350771027 /nfs/dbraw/zinc/77/10/27/1350771027.db2.gz PJSQUKRJUWVORI-RYUDHWBXSA-N -1 3 341.734 2.287 20 5 EEBDHM CO[C@@H](CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(F)(F)F ZINC001605007765 1351051391 /nfs/dbraw/zinc/05/13/91/1351051391.db2.gz PFDVTUGKJQPEQV-JTQLQIEISA-N -1 3 346.269 2.154 20 5 EEBDHM COCC1(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1 ZINC001605066908 1351070904 /nfs/dbraw/zinc/07/09/04/1351070904.db2.gz WYTUBJQFCDPNOI-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccc2c(c1)CCO2 ZINC001607078605 1351407720 /nfs/dbraw/zinc/40/77/20/1351407720.db2.gz IRYULKXHPNHRPB-UHFFFAOYSA-N -1 3 342.340 2.256 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccc2c(c1)CCO2 ZINC001607078605 1351407721 /nfs/dbraw/zinc/40/77/21/1351407721.db2.gz IRYULKXHPNHRPB-UHFFFAOYSA-N -1 3 342.340 2.256 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1C[C@@]12CCOC2 ZINC001607079655 1351408472 /nfs/dbraw/zinc/40/84/72/1351408472.db2.gz NVQKVLGIDXOIGE-SWLSCSKDSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1C[C@@]12CCOC2 ZINC001607079655 1351408473 /nfs/dbraw/zinc/40/84/73/1351408473.db2.gz NVQKVLGIDXOIGE-SWLSCSKDSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001607081844 1351409951 /nfs/dbraw/zinc/40/99/51/1351409951.db2.gz OYMJHDWTPVYTBV-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001607081844 1351409954 /nfs/dbraw/zinc/40/99/54/1351409954.db2.gz OYMJHDWTPVYTBV-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccncc2)C1 ZINC001607083264 1351410774 /nfs/dbraw/zinc/41/07/74/1351410774.db2.gz CTHWNWDLLKAEPQ-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccncc2)C1 ZINC001607083264 1351410777 /nfs/dbraw/zinc/41/07/77/1351410777.db2.gz CTHWNWDLLKAEPQ-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCc2cccc(F)c21 ZINC001607083860 1351410876 /nfs/dbraw/zinc/41/08/76/1351410876.db2.gz OYJWPRXLHNDGHT-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCc2cccc(F)c21 ZINC001607083860 1351410877 /nfs/dbraw/zinc/41/08/77/1351410877.db2.gz OYJWPRXLHNDGHT-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM CCC[C@@H](O)CCCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001577326478 1403640078 /nfs/dbraw/zinc/64/00/78/1403640078.db2.gz RVFBJXHSDXCITF-SNVBAGLBSA-N -1 3 338.393 2.203 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001112057308 765440266 /nfs/dbraw/zinc/44/02/66/765440266.db2.gz NTFZSAVPKQZXJL-UHFFFAOYSA-N -1 3 334.376 2.090 20 5 EEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2nc3ccccc3o2)cc1 ZINC000820717447 786435771 /nfs/dbraw/zinc/43/57/71/786435771.db2.gz WQGZOOUZXUCEJC-UHFFFAOYSA-N -1 3 347.352 2.356 20 5 EEBDHM CCCC(=O)N1CCC(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001062203266 787593743 /nfs/dbraw/zinc/59/37/43/787593743.db2.gz XQBUMHCXIGQBCQ-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM O=C(NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC=CC1 ZINC001089918101 790208272 /nfs/dbraw/zinc/20/82/72/790208272.db2.gz ZSKXFMDENBGPFH-UHFFFAOYSA-N -1 3 346.387 2.360 20 5 EEBDHM CCc1ccoc1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110328346 801489363 /nfs/dbraw/zinc/48/93/63/801489363.db2.gz ONEWUSRFAVTIRV-UHFFFAOYSA-N -1 3 346.343 2.225 20 5 EEBDHM COc1ccc(C[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-])c([N+](=O)[O-])c1 ZINC001170306255 809868998 /nfs/dbraw/zinc/86/89/98/809868998.db2.gz TZIHLKTXUKKJBJ-LLVKDONJSA-N -1 3 346.320 2.082 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001129612584 810940487 /nfs/dbraw/zinc/94/04/87/810940487.db2.gz IVIGIAWPYGFDGN-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000236452152 960624034 /nfs/dbraw/zinc/62/40/34/960624034.db2.gz MQDJOCVWOQBRMY-NSHDSACASA-N -1 3 329.150 2.310 20 5 EEBDHM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001603610502 973885492 /nfs/dbraw/zinc/88/54/92/973885492.db2.gz YLHIIFARIBKEPM-INIZCTEOSA-N -1 3 338.360 2.386 20 5 EEBDHM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001603610502 973885500 /nfs/dbraw/zinc/88/55/00/973885500.db2.gz YLHIIFARIBKEPM-INIZCTEOSA-N -1 3 338.360 2.386 20 5 EEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436648083 1088076767 /nfs/dbraw/zinc/07/67/67/1088076767.db2.gz DZRIKOVKWQJYEB-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436648083 1088076784 /nfs/dbraw/zinc/07/67/84/1088076784.db2.gz DZRIKOVKWQJYEB-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM CCC(C)(CC)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264976975 247102789 /nfs/dbraw/zinc/10/27/89/247102789.db2.gz QLESFCUNCUYCMV-UHFFFAOYSA-N -1 3 344.389 2.223 20 5 EEBDHM CCOc1cc([N-]C(=O)c2nnn(C)c2C)c([N+](=O)[O-])cc1OCC ZINC000266003014 248017890 /nfs/dbraw/zinc/01/78/90/248017890.db2.gz OWBFAMDLTCTOSZ-UHFFFAOYSA-N -1 3 349.347 2.081 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H]1CCO[C@@H](C)C1 ZINC000273460314 256298494 /nfs/dbraw/zinc/29/84/94/256298494.db2.gz DNUWNNKSUCNOHX-QWHCGFSZSA-N -1 3 342.417 2.387 20 5 EEBDHM NC(=O)c1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000110188015 159357902 /nfs/dbraw/zinc/35/79/02/159357902.db2.gz UIQUYFRMBWBWSX-UHFFFAOYSA-N -1 3 326.721 2.056 20 5 EEBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1SCCO ZINC000341888230 161021497 /nfs/dbraw/zinc/02/14/97/161021497.db2.gz LVOPRTOXORAYNK-UHFFFAOYSA-N -1 3 335.341 2.032 20 5 EEBDHM Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)[n-]c(=O)n1 ZINC000345687386 161322762 /nfs/dbraw/zinc/32/27/62/161322762.db2.gz QRWNXVNIYYBDGI-AWEZNQCLSA-N -1 3 346.368 2.287 20 5 EEBDHM Cc1nc(C)c(CCC(=O)NCc2cccc([N+](=O)[O-])c2C)c(=O)[n-]1 ZINC000360517491 164328041 /nfs/dbraw/zinc/32/80/41/164328041.db2.gz YFAKUEVKZVYFFM-UHFFFAOYSA-N -1 3 344.371 2.265 20 5 EEBDHM Cc1[nH]ncc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000375966089 167236903 /nfs/dbraw/zinc/23/69/03/167236903.db2.gz WEEGCJUNYFHDTF-UHFFFAOYSA-N -1 3 330.344 2.352 20 5 EEBDHM CC[C@H](C)NC(=O)[C@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272078649 268903228 /nfs/dbraw/zinc/90/32/28/268903228.db2.gz FBEQIJHHBVFLMT-UWVGGRQHSA-N -1 3 343.330 2.106 20 5 EEBDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000271649873 274147072 /nfs/dbraw/zinc/14/70/72/274147072.db2.gz HVDHLNFKVNISPZ-ZWNOBZJWSA-N -1 3 346.380 2.216 20 5 EEBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352346906 288433029 /nfs/dbraw/zinc/43/30/29/288433029.db2.gz UBSBFUOCASVBPZ-XCBNKYQSSA-N -1 3 336.822 2.278 20 5 EEBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000266262591 294504044 /nfs/dbraw/zinc/50/40/44/294504044.db2.gz ZPHRCHKTXFLMMF-RYUDHWBXSA-N -1 3 348.808 2.484 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000190111754 301556192 /nfs/dbraw/zinc/55/61/92/301556192.db2.gz ANKKOTYWELQDJE-GFCCVEGCSA-N -1 3 328.390 2.059 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000416545348 313252506 /nfs/dbraw/zinc/25/25/06/313252506.db2.gz IBJBMRGXQSGNIG-GXSJLCMTSA-N -1 3 332.353 2.065 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)OCC1CC1 ZINC000416585013 313265924 /nfs/dbraw/zinc/26/59/24/313265924.db2.gz BFYOIEVFIBPCSV-UHFFFAOYSA-N -1 3 342.417 2.387 20 5 EEBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440071380 315110913 /nfs/dbraw/zinc/11/09/13/315110913.db2.gz BJTPSISLSLRLMT-JTQLQIEISA-N -1 3 349.840 2.257 20 5 EEBDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000443344733 315243115 /nfs/dbraw/zinc/24/31/15/315243115.db2.gz PQNTWRQOCSTLHI-GXFFZTMASA-N -1 3 344.433 2.287 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000190119529 533707285 /nfs/dbraw/zinc/70/72/85/533707285.db2.gz FBJCFLQKQNIBIT-CYBMUJFWSA-N -1 3 342.417 2.449 20 5 EEBDHM O=C(Nc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000011761633 462839205 /nfs/dbraw/zinc/83/92/05/462839205.db2.gz HDUHYKLTCWUBQM-UHFFFAOYSA-N -1 3 331.284 2.109 20 5 EEBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 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COc1c([O-])ccc(CN2CC(O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000894275618 681959589 /nfs/dbraw/zinc/95/95/89/681959589.db2.gz WWYMQBKOBBAHBN-UHFFFAOYSA-N -1 3 348.330 2.152 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1[O-] ZINC001059554265 687047922 /nfs/dbraw/zinc/04/79/22/687047922.db2.gz MGNIGPZPEKWAKM-PHIMTYICSA-N -1 3 328.328 2.068 20 5 EEBDHM Cc1ccc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877777781 1200096389 /nfs/dbraw/zinc/09/63/89/1200096389.db2.gz FHLVDIQZFVMVHE-UHFFFAOYSA-N -1 3 331.294 2.014 20 5 EEBDHM CN(CCCNC(=O)CCC(C)(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095782877 1208514999 /nfs/dbraw/zinc/51/49/99/1208514999.db2.gz AMVGWVOBIBVEQS-UHFFFAOYSA-N -1 3 346.334 2.073 20 5 EEBDHM CCc1ccc(OC(=O)Cc2c(C)nc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC000115926752 1228573509 /nfs/dbraw/zinc/57/35/09/1228573509.db2.gz ZITMYEHXAUUBHH-UHFFFAOYSA-N -1 3 331.328 2.005 20 5 EEBDHM CC1(C(=O)NCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C2CC2)CCC1 ZINC001096062889 1234273529 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348.334 2.327 20 5 EEBDHM CC(C)(C)OC(=O)N1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225662473 1301115422 /nfs/dbraw/zinc/11/54/22/1301115422.db2.gz UEGSTWLRLFTNKJ-UHFFFAOYSA-N -1 3 339.348 2.474 20 5 EEBDHM Cc1nnc(=O)[n-]c1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001226464628 1301426242 /nfs/dbraw/zinc/42/62/42/1301426242.db2.gz ROZXGSRCCWOOBG-SECBINFHSA-N -1 3 330.222 2.476 20 5 EEBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CC[C@@]3(CCCCO3)O2)c2[n-]cnc21 ZINC001227691853 1301931699 /nfs/dbraw/zinc/93/16/99/1301931699.db2.gz QWOOVPJXZFPMPG-ZUZCIYMTSA-N -1 3 334.332 2.321 20 5 EEBDHM Cc1[n-]c(=O)cc(O[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC001228688542 1302382073 /nfs/dbraw/zinc/38/20/73/1302382073.db2.gz JTPCIVKKSDIBPZ-KOLCDFICSA-N -1 3 339.348 2.390 20 5 EEBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc([N+](=O)[O-])cn1 ZINC000784151209 1304425511 /nfs/dbraw/zinc/42/55/11/1304425511.db2.gz FCRKDDLLXNQTAR-UHFFFAOYSA-N -1 3 342.267 2.102 20 5 EEBDHM CC/C=C(/C)C(=O)N1CCC(N(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001115131122 1304721351 /nfs/dbraw/zinc/72/13/51/1304721351.db2.gz JRPWRWJPZXVOFE-XGICHPGQSA-N -1 3 348.403 2.479 20 5 EEBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2nccn21 ZINC001590206364 1349200111 /nfs/dbraw/zinc/20/01/11/1349200111.db2.gz IUHANUOUJQTURY-KCJUWKMLSA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2nccn21 ZINC001590206364 1349200113 /nfs/dbraw/zinc/20/01/13/1349200113.db2.gz IUHANUOUJQTURY-KCJUWKMLSA-N -1 3 326.320 2.089 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]C2([C@@H]3CCCO3)CCC2)c([N+](=O)[O-])s1 ZINC001309954035 1331649951 /nfs/dbraw/zinc/64/99/51/1331649951.db2.gz GYKKVHWIQLRLOX-NSHDSACASA-N -1 3 346.430 2.345 20 5 EEBDHM CC(C)c1nnc([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[nH]1 ZINC001609106469 1351845397 /nfs/dbraw/zinc/84/53/97/1351845397.db2.gz ZHPCUMBFOGXAIZ-QMMMGPOBSA-N -1 3 343.351 2.190 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC001581909735 1344687505 /nfs/dbraw/zinc/68/75/05/1344687505.db2.gz RRHWFSYEWAVWJO-UHFFFAOYSA-N -1 3 347.285 2.247 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC001581909735 1344687510 /nfs/dbraw/zinc/68/75/10/1344687510.db2.gz RRHWFSYEWAVWJO-UHFFFAOYSA-N -1 3 347.285 2.247 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ncc(Cl)s1 ZINC001582804123 1344792713 /nfs/dbraw/zinc/79/27/13/1344792713.db2.gz JWQVNOOIXYYTPJ-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ncc(Cl)s1 ZINC001582804123 1344792716 /nfs/dbraw/zinc/79/27/16/1344792716.db2.gz JWQVNOOIXYYTPJ-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM C[C@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(F)F ZINC001589030138 1348953257 /nfs/dbraw/zinc/95/32/57/1348953257.db2.gz KPIHWFZHWWCYRA-SSDOTTSWSA-N -1 3 341.274 2.109 20 5 EEBDHM C[C@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(F)F ZINC001589030138 1348953259 /nfs/dbraw/zinc/95/32/59/1348953259.db2.gz KPIHWFZHWWCYRA-SSDOTTSWSA-N -1 3 341.274 2.109 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589803766 1349047724 /nfs/dbraw/zinc/04/77/24/1349047724.db2.gz QHVZGGLTSSEAKP-JOYOIKCWSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589803766 1349047732 /nfs/dbraw/zinc/04/77/32/1349047732.db2.gz QHVZGGLTSSEAKP-JOYOIKCWSA-N -1 3 344.331 2.292 20 5 EEBDHM CC1(C)CO[C@H](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590110676 1349160341 /nfs/dbraw/zinc/16/03/41/1349160341.db2.gz DWGWRXWZVYCVGB-LLVKDONJSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@H]1C[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590217476 1349203961 /nfs/dbraw/zinc/20/39/61/1349203961.db2.gz CEJWUOMMNOKJIU-DTWKUNHWSA-N -1 3 325.332 2.391 20 5 EEBDHM C[C@H]1C[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590217476 1349203967 /nfs/dbraw/zinc/20/39/67/1349203967.db2.gz CEJWUOMMNOKJIU-DTWKUNHWSA-N -1 3 325.332 2.391 20 5 EEBDHM CCC(C)(C)OC1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590376729 1349290996 /nfs/dbraw/zinc/29/09/96/1349290996.db2.gz LLQYNXNKEDNXGX-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM CCC(C)(C)OC1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590376729 1349291001 /nfs/dbraw/zinc/29/10/01/1349291001.db2.gz LLQYNXNKEDNXGX-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM COc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591614471 1349515588 /nfs/dbraw/zinc/51/55/88/1349515588.db2.gz NEELXKSFBYFLJG-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591614471 1349515591 /nfs/dbraw/zinc/51/55/91/1349515591.db2.gz NEELXKSFBYFLJG-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)s2)nc2ccccn21 ZINC001593469627 1349805187 /nfs/dbraw/zinc/80/51/87/1349805187.db2.gz YUZJSJIZQYAXQU-UHFFFAOYSA-N -1 3 342.344 2.096 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCC[C@H]1CCOC1 ZINC001593468241 1349805213 /nfs/dbraw/zinc/80/52/13/1349805213.db2.gz JHPCMTOLFHWDHC-VIFPVBQESA-N -1 3 336.327 2.143 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCC[C@H]1CCOC1 ZINC001593468241 1349805217 /nfs/dbraw/zinc/80/52/17/1349805217.db2.gz JHPCMTOLFHWDHC-VIFPVBQESA-N -1 3 336.327 2.143 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc(O)cc1 ZINC001593470808 1349805992 /nfs/dbraw/zinc/80/59/92/1349805992.db2.gz MGNCVJPJIUIFEM-UHFFFAOYSA-N -1 3 326.316 2.135 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc(O)cc1 ZINC001593470808 1349805995 /nfs/dbraw/zinc/80/59/95/1349805995.db2.gz MGNCVJPJIUIFEM-UHFFFAOYSA-N -1 3 326.316 2.135 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)CC1CCCC1 ZINC001593470954 1349806119 /nfs/dbraw/zinc/80/61/19/1349806119.db2.gz RRJQJCXHOFHFTF-LBPRGKRZSA-N -1 3 333.348 2.095 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)CC1CCCC1 ZINC001593470954 1349806122 /nfs/dbraw/zinc/80/61/22/1349806122.db2.gz RRJQJCXHOFHFTF-LBPRGKRZSA-N -1 3 333.348 2.095 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1nnc(C2CC2)s1 ZINC001593473164 1349807055 /nfs/dbraw/zinc/80/70/55/1349807055.db2.gz OEKWQOYPIIBXLN-UHFFFAOYSA-N -1 3 348.373 2.050 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1nnc(C2CC2)s1 ZINC001593473164 1349807059 /nfs/dbraw/zinc/80/70/59/1349807059.db2.gz OEKWQOYPIIBXLN-UHFFFAOYSA-N -1 3 348.373 2.050 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCC12CCOCC2 ZINC001593475381 1349809154 /nfs/dbraw/zinc/80/91/54/1349809154.db2.gz OVHGKOAMXZFCCB-GFCCVEGCSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCC12CCOCC2 ZINC001593475381 1349809161 /nfs/dbraw/zinc/80/91/61/1349809161.db2.gz OVHGKOAMXZFCCB-GFCCVEGCSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1NCc1cncc(-c2nnn[n-]2)c1 ZINC001593475904 1349809371 /nfs/dbraw/zinc/80/93/71/1349809371.db2.gz GKNQJPIICFMNEZ-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1NCc1cncc(-c2nn[n-]n2)c1 ZINC001593475904 1349809379 /nfs/dbraw/zinc/80/93/79/1349809379.db2.gz GKNQJPIICFMNEZ-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(-c2nnn[n-]2)c1 ZINC001593485930 1349814833 /nfs/dbraw/zinc/81/48/33/1349814833.db2.gz WWNGTUBGTNDKLP-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(-c2nn[n-]n2)c1 ZINC001593485930 1349814837 /nfs/dbraw/zinc/81/48/37/1349814837.db2.gz WWNGTUBGTNDKLP-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC001603681444 1350741562 /nfs/dbraw/zinc/74/15/62/1350741562.db2.gz JEGDRBFAQDDWQN-QMMMGPOBSA-N -1 3 327.304 2.049 20 5 EEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC001603681444 1350741564 /nfs/dbraw/zinc/74/15/64/1350741564.db2.gz JEGDRBFAQDDWQN-QMMMGPOBSA-N -1 3 327.304 2.049 20 5 EEBDHM CC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001603751379 1350757590 /nfs/dbraw/zinc/75/75/90/1350757590.db2.gz GRRGCMODMXPPML-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM CC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001603751379 1350757597 /nfs/dbraw/zinc/75/75/97/1350757597.db2.gz GRRGCMODMXPPML-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1[C@H]1CCCO1 ZINC001603786988 1350767366 /nfs/dbraw/zinc/76/73/66/1350767366.db2.gz GFEQGUAXKUJOBF-KGLIPLIRSA-N -1 3 344.375 2.169 20 5 EEBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1[C@H]1CCCO1 ZINC001603786988 1350767369 /nfs/dbraw/zinc/76/73/69/1350767369.db2.gz GFEQGUAXKUJOBF-KGLIPLIRSA-N -1 3 344.375 2.169 20 5 EEBDHM CC1(C)CO[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603792045 1350768833 /nfs/dbraw/zinc/76/88/33/1350768833.db2.gz XWWFWIQGMSGGAC-QMMMGPOBSA-N -1 3 336.327 2.141 20 5 EEBDHM CC1(C)CO[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603792045 1350768835 /nfs/dbraw/zinc/76/88/35/1350768835.db2.gz XWWFWIQGMSGGAC-QMMMGPOBSA-N -1 3 336.327 2.141 20 5 EEBDHM CC[C@@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001604099311 1350857539 /nfs/dbraw/zinc/85/75/39/1350857539.db2.gz KETWKBWAKJDUMG-RKDXNWHRSA-N -1 3 336.327 2.284 20 5 EEBDHM CC[C@@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001604099311 1350857542 /nfs/dbraw/zinc/85/75/42/1350857542.db2.gz KETWKBWAKJDUMG-RKDXNWHRSA-N -1 3 336.327 2.284 20 5 EEBDHM CO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001605025460 1351059549 /nfs/dbraw/zinc/05/95/49/1351059549.db2.gz WWZDVKCOYCDOEG-CHWSQXEVSA-N -1 3 330.348 2.144 20 5 EEBDHM CO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001605025460 1351059550 /nfs/dbraw/zinc/05/95/50/1351059550.db2.gz WWZDVKCOYCDOEG-CHWSQXEVSA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1cc(NC[C@H]2CCC(C)(C)O2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605732034 1351220005 /nfs/dbraw/zinc/22/00/05/1351220005.db2.gz SSYULPNJMPCTRY-SNVBAGLBSA-N -1 3 332.364 2.453 20 5 EEBDHM Cc1cc(NC[C@H]2CCC(C)(C)O2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605732034 1351220006 /nfs/dbraw/zinc/22/00/06/1351220006.db2.gz SSYULPNJMPCTRY-SNVBAGLBSA-N -1 3 332.364 2.453 20 5 EEBDHM Cc1ncc([N+](=O)[O-])n1CCSc1ccccc1-c1nnn[n-]1 ZINC001606093055 1351269612 /nfs/dbraw/zinc/26/96/12/1351269612.db2.gz RGZCQODLFFRJGB-UHFFFAOYSA-N -1 3 331.361 2.072 20 5 EEBDHM Cc1ncc([N+](=O)[O-])n1CCSc1ccccc1-c1nn[n-]n1 ZINC001606093055 1351269615 /nfs/dbraw/zinc/26/96/15/1351269615.db2.gz RGZCQODLFFRJGB-UHFFFAOYSA-N -1 3 331.361 2.072 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)ccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001606898158 1351371270 /nfs/dbraw/zinc/37/12/70/1351371270.db2.gz BVHPNFKBADANBC-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)ccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001606898158 1351371274 /nfs/dbraw/zinc/37/12/74/1351371274.db2.gz BVHPNFKBADANBC-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC(c3ncco3)CC2)ccc1-c1nnn[n-]1 ZINC001607078604 1351408041 /nfs/dbraw/zinc/40/80/41/1351408041.db2.gz IOTOSIWHQCMNNV-UHFFFAOYSA-N -1 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CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](CC)O1 ZINC001609202842 1351889630 /nfs/dbraw/zinc/88/96/30/1351889630.db2.gz QPZIOMKAZVOFOY-TXEJJXNPSA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](CC)O1 ZINC001609202842 1351889634 /nfs/dbraw/zinc/88/96/34/1351889634.db2.gz QPZIOMKAZVOFOY-TXEJJXNPSA-N -1 3 332.364 2.169 20 5 EEBDHM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(C)C ZINC001609293128 1351923205 /nfs/dbraw/zinc/92/32/05/1351923205.db2.gz JKYKVABIFIITNM-SNVBAGLBSA-N -1 3 348.363 2.022 20 5 EEBDHM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(C)C ZINC001609293127 1351923708 /nfs/dbraw/zinc/92/37/08/1351923708.db2.gz JKYKVABIFIITNM-JTQLQIEISA-N -1 3 348.363 2.022 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001609428093 1351972793 /nfs/dbraw/zinc/97/27/93/1351972793.db2.gz FPJSIIIGLQMTFP-VIFPVBQESA-N -1 3 342.315 2.329 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001609428093 1351972795 /nfs/dbraw/zinc/97/27/95/1351972795.db2.gz FPJSIIIGLQMTFP-VIFPVBQESA-N -1 3 342.315 2.329 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2sccc2C1 ZINC001609599930 1352029848 /nfs/dbraw/zinc/02/98/48/1352029848.db2.gz INJVQEAZQCYLTL-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2sccc2C1 ZINC001609599930 1352029852 /nfs/dbraw/zinc/02/98/52/1352029852.db2.gz INJVQEAZQCYLTL-UHFFFAOYSA-N -1 3 328.357 2.399 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCCC(F)(F)C1 ZINC001609600673 1352031057 /nfs/dbraw/zinc/03/10/57/1352031057.db2.gz XWQPCYJIMHKCQN-QMMMGPOBSA-N -1 3 325.279 2.160 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCCC(F)(F)C1 ZINC001609600673 1352031060 /nfs/dbraw/zinc/03/10/60/1352031060.db2.gz XWQPCYJIMHKCQN-QMMMGPOBSA-N -1 3 325.279 2.160 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCO[C@@H]1CCCCO1 ZINC001609600172 1352031120 /nfs/dbraw/zinc/03/11/20/1352031120.db2.gz ULGOPMZHSVJSNV-CQSZACIVSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCO[C@@H]1CCCCO1 ZINC001609600172 1352031125 /nfs/dbraw/zinc/03/11/25/1352031125.db2.gz ULGOPMZHSVJSNV-CQSZACIVSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001609601678 1352031637 /nfs/dbraw/zinc/03/16/37/1352031637.db2.gz UXSRAYBBKXGAGO-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001610738201 1352266955 /nfs/dbraw/zinc/26/69/55/1352266955.db2.gz VLEBZTSXHYWNRF-OCCSQVGLSA-N -1 3 346.339 2.122 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCCC3(CC3)C2)c1-c1nnn[n-]1 ZINC001581909835 1344686490 /nfs/dbraw/zinc/68/64/90/1344686490.db2.gz XCVJGSUDXFFYBJ-VIFPVBQESA-N -1 3 329.364 2.492 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCCC3(CC3)C2)c1-c1nn[n-]n1 ZINC001581909835 1344686492 /nfs/dbraw/zinc/68/64/92/1344686492.db2.gz XCVJGSUDXFFYBJ-VIFPVBQESA-N -1 3 329.364 2.492 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H]2COCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC001582804119 1344793334 /nfs/dbraw/zinc/79/33/34/1344793334.db2.gz JTRDAPMIULGJFK-HNNXBMFYSA-N -1 3 338.327 2.458 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H]2COCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC001582804119 1344793335 /nfs/dbraw/zinc/79/33/35/1344793335.db2.gz JTRDAPMIULGJFK-HNNXBMFYSA-N -1 3 338.327 2.458 20 5 EEBDHM CC(C)OC(=O)CC[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589802475 1349047505 /nfs/dbraw/zinc/04/75/05/1349047505.db2.gz JADNDLACHCNZAZ-SNVBAGLBSA-N -1 3 348.363 2.307 20 5 EEBDHM CC(C)OC(=O)CC[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589802475 1349047510 /nfs/dbraw/zinc/04/75/10/1349047510.db2.gz JADNDLACHCNZAZ-SNVBAGLBSA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903001 1349058261 /nfs/dbraw/zinc/05/82/61/1349058261.db2.gz XHPNDULDLLFIJZ-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903001 1349058263 /nfs/dbraw/zinc/05/82/63/1349058263.db2.gz XHPNDULDLLFIJZ-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1noc(C)n1 ZINC001590474139 1349348486 /nfs/dbraw/zinc/34/84/86/1349348486.db2.gz YUGUTBQBPQFHRT-VIFPVBQESA-N -1 3 330.308 2.030 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1noc(C)n1 ZINC001590474139 1349348490 /nfs/dbraw/zinc/34/84/90/1349348490.db2.gz YUGUTBQBPQFHRT-VIFPVBQESA-N -1 3 330.308 2.030 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591623181 1349517728 /nfs/dbraw/zinc/51/77/28/1349517728.db2.gz MQPJEZDWNFOTGU-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591623181 1349517733 /nfs/dbraw/zinc/51/77/33/1349517733.db2.gz MQPJEZDWNFOTGU-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM Cc1cc(N(C)Cc2cscn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591998090 1349581502 /nfs/dbraw/zinc/58/15/02/1349581502.db2.gz BUJIGCPPNCZUNU-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Cc1cc(N(C)Cc2cscn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591998090 1349581513 /nfs/dbraw/zinc/58/15/13/1349581513.db2.gz BUJIGCPPNCZUNU-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Cc1nc(NCCc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592391851 1349627147 /nfs/dbraw/zinc/62/71/47/1349627147.db2.gz UUKMJTLUYATLPE-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1nc(NCCc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592391851 1349627150 /nfs/dbraw/zinc/62/71/50/1349627150.db2.gz UUKMJTLUYATLPE-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=C(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC1CCCCC1 ZINC001592874844 1349720864 /nfs/dbraw/zinc/72/08/64/1349720864.db2.gz UFISVFFNGJDLNA-UHFFFAOYSA-N -1 3 346.347 2.063 20 5 EEBDHM O=C(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC1CCCCC1 ZINC001592874844 1349720876 /nfs/dbraw/zinc/72/08/76/1349720876.db2.gz UFISVFFNGJDLNA-UHFFFAOYSA-N -1 3 346.347 2.063 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001593291252 1349766861 /nfs/dbraw/zinc/76/68/61/1349766861.db2.gz GDDDYBSBCDMFAH-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001593291252 1349766865 /nfs/dbraw/zinc/76/68/65/1349766865.db2.gz GDDDYBSBCDMFAH-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN(CC(F)F)C1CCC1 ZINC001593467663 1349802989 /nfs/dbraw/zinc/80/29/89/1349802989.db2.gz RZYQQSPFQZFXCU-UHFFFAOYSA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN(CC(F)F)C1CCC1 ZINC001593467663 1349802997 /nfs/dbraw/zinc/80/29/97/1349802997.db2.gz RZYQQSPFQZFXCU-UHFFFAOYSA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(NCC(F)F)cc1NCC(F)F ZINC001593467001 1349803105 /nfs/dbraw/zinc/80/31/05/1349803105.db2.gz JJANZGDGYGGEDC-UHFFFAOYSA-N -1 3 349.248 2.129 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(NCC(F)F)cc1NCC(F)F ZINC001593467001 1349803109 /nfs/dbraw/zinc/80/31/09/1349803109.db2.gz JJANZGDGYGGEDC-UHFFFAOYSA-N -1 3 349.248 2.129 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H](O)c2ccccc21 ZINC001593469858 1349806296 /nfs/dbraw/zinc/80/62/96/1349806296.db2.gz BAEKEHFKSHWNOS-HIFRSBDPSA-N -1 3 338.327 2.365 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H](O)c2ccccc21 ZINC001593469858 1349806304 /nfs/dbraw/zinc/80/63/04/1349806304.db2.gz BAEKEHFKSHWNOS-HIFRSBDPSA-N -1 3 338.327 2.365 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC(c3ncco3)CC2)c(-c2nnn[n-]2)c1 ZINC001593476573 1349810844 /nfs/dbraw/zinc/81/08/44/1349810844.db2.gz RDUPZUCQLOIQHZ-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC(c3ncco3)CC2)c(-c2nn[n-]n2)c1 ZINC001593476573 1349810849 /nfs/dbraw/zinc/81/08/49/1349810849.db2.gz RDUPZUCQLOIQHZ-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H](O)c1ccccc1F ZINC001593480268 1349812639 /nfs/dbraw/zinc/81/26/39/1349812639.db2.gz HSJFPJXZPDXJDM-ZDUSSCGKSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H](O)c1ccccc1F ZINC001593480268 1349812644 /nfs/dbraw/zinc/81/26/44/1349812644.db2.gz HSJFPJXZPDXJDM-ZDUSSCGKSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H](O)C1CCCCC1 ZINC001593480645 1349812763 /nfs/dbraw/zinc/81/27/63/1349812763.db2.gz KHMRDHCNMKHPNU-CYBMUJFWSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H](O)C1CCCCC1 ZINC001593480645 1349812766 /nfs/dbraw/zinc/81/27/66/1349812766.db2.gz KHMRDHCNMKHPNU-CYBMUJFWSA-N -1 3 332.364 2.128 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)n1 ZINC001600106681 1349972722 /nfs/dbraw/zinc/97/27/22/1349972722.db2.gz JJWIXIMTUVVHMG-GFCCVEGCSA-N -1 3 334.376 2.425 20 5 EEBDHM Cc1nn(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC001600788750 1350137663 /nfs/dbraw/zinc/13/76/63/1350137663.db2.gz HHRXUGUPZNZTCQ-ZYHUDNBSSA-N -1 3 332.360 2.253 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001603065251 1350630642 /nfs/dbraw/zinc/63/06/42/1350630642.db2.gz LLXWXVRCOYOZOD-DGCLKSJQSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001603065251 1350630645 /nfs/dbraw/zinc/63/06/45/1350630645.db2.gz LLXWXVRCOYOZOD-DGCLKSJQSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1[N+](=O)[O-] ZINC001603165543 1350654145 /nfs/dbraw/zinc/65/41/45/1350654145.db2.gz VJXSCROTXGJLGB-UHFFFAOYSA-N -1 3 328.332 2.393 20 5 EEBDHM CC(C)(NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1[N+](=O)[O-] ZINC001603165543 1350654148 /nfs/dbraw/zinc/65/41/48/1350654148.db2.gz VJXSCROTXGJLGB-UHFFFAOYSA-N -1 3 328.332 2.393 20 5 EEBDHM CC(C)COC1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001603299353 1350682714 /nfs/dbraw/zinc/68/27/14/1350682714.db2.gz CVNVBFULMUXPLP-UHFFFAOYSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)COC1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001603299353 1350682720 /nfs/dbraw/zinc/68/27/20/1350682720.db2.gz CVNVBFULMUXPLP-UHFFFAOYSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603462819 1350709175 /nfs/dbraw/zinc/70/91/75/1350709175.db2.gz AXRHHCUZTOZOKZ-NOZJJQNGSA-N -1 3 344.331 2.292 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001604064371 1350843930 /nfs/dbraw/zinc/84/39/30/1350843930.db2.gz RMZOWQBGKYHELL-GXFFZTMASA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001604064371 1350843934 /nfs/dbraw/zinc/84/39/34/1350843934.db2.gz RMZOWQBGKYHELL-GXFFZTMASA-N -1 3 332.364 2.392 20 5 EEBDHM CCN(Cc1ccncc1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604324771 1350915297 /nfs/dbraw/zinc/91/52/97/1350915297.db2.gz KIQVAXBUXLBZTB-UHFFFAOYSA-N -1 3 339.359 2.192 20 5 EEBDHM CCN(Cc1ccncc1)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604324771 1350915301 /nfs/dbraw/zinc/91/53/01/1350915301.db2.gz KIQVAXBUXLBZTB-UHFFFAOYSA-N -1 3 339.359 2.192 20 5 EEBDHM COC[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605071557 1351072360 /nfs/dbraw/zinc/07/23/60/1351072360.db2.gz GRPZDTUNJZGXML-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM COC[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605071557 1351072364 /nfs/dbraw/zinc/07/23/64/1351072364.db2.gz GRPZDTUNJZGXML-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM COc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001605155780 1351089944 /nfs/dbraw/zinc/08/99/44/1351089944.db2.gz ZMWJWWMTPZATQZ-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM COc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001605155780 1351089949 /nfs/dbraw/zinc/08/99/49/1351089949.db2.gz ZMWJWWMTPZATQZ-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM Cc1cc(N2CCC(C(C)(C)O)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605692095 1351215874 /nfs/dbraw/zinc/21/58/74/1351215874.db2.gz PSHAUVKMZDXLGD-UHFFFAOYSA-N -1 3 346.391 2.071 20 5 EEBDHM Cc1cc(N2CCC(C(C)(C)O)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605692095 1351215876 /nfs/dbraw/zinc/21/58/76/1351215876.db2.gz PSHAUVKMZDXLGD-UHFFFAOYSA-N -1 3 346.391 2.071 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001606977206 1351390208 /nfs/dbraw/zinc/39/02/08/1351390208.db2.gz KGKHSOCEIGQFPH-UHFFFAOYSA-N -1 3 349.322 2.491 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001606977206 1351390209 /nfs/dbraw/zinc/39/02/09/1351390209.db2.gz KGKHSOCEIGQFPH-UHFFFAOYSA-N -1 3 349.322 2.491 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](C3CC3)O2)c(-c2nnn[n-]2)c1 ZINC001607082346 1351410296 /nfs/dbraw/zinc/41/02/96/1351410296.db2.gz OYVSCMVUGROMTF-SMDDNHRTSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](C3CC3)O2)c(-c2nn[n-]n2)c1 ZINC001607082346 1351410299 /nfs/dbraw/zinc/41/02/99/1351410299.db2.gz OYVSCMVUGROMTF-SMDDNHRTSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(-c4nnn[n-]4)c3)nc2c1 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EEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C(CF)CF)cc1[N+](=O)[O-] ZINC000885422364 1202412718 /nfs/dbraw/zinc/41/27/18/1202412718.db2.gz SDNJBNFSEULPNL-UHFFFAOYSA-N -1 3 328.724 2.143 20 5 EEBDHM CCCN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101223823 1245537699 /nfs/dbraw/zinc/53/76/99/1245537699.db2.gz OOGFFADPEKTZSM-ITGUQSILSA-N -1 3 348.403 2.074 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc(F)s1 ZINC001101664276 1246096465 /nfs/dbraw/zinc/09/64/65/1246096465.db2.gz WZOPSVBQXWRLDU-UHFFFAOYSA-N -1 3 340.336 2.080 20 5 EEBDHM Cc1oc(C)c(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001101858289 1246234045 /nfs/dbraw/zinc/23/40/45/1246234045.db2.gz BUYUGFWFXATVFN-UHFFFAOYSA-N -1 3 348.359 2.398 20 5 EEBDHM CC(C)=CC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110568817 1289719971 /nfs/dbraw/zinc/71/99/71/1289719971.db2.gz OAFYYGWKYBDGCE-UHFFFAOYSA-N -1 3 334.376 2.137 20 5 EEBDHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000853866900 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CC1(C)CC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)OC1 ZINC001603773296 1350764150 /nfs/dbraw/zinc/76/41/50/1350764150.db2.gz YCUMTBWSLZKYBC-LLVKDONJSA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC001603785838 1350767587 /nfs/dbraw/zinc/76/75/87/1350767587.db2.gz OLSLRTCEXPOJJI-UHFFFAOYSA-N -1 3 346.391 2.164 20 5 EEBDHM CC1(C)CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC001603785838 1350767590 /nfs/dbraw/zinc/76/75/90/1350767590.db2.gz OLSLRTCEXPOJJI-UHFFFAOYSA-N -1 3 346.391 2.164 20 5 EEBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001604112798 1350862418 /nfs/dbraw/zinc/86/24/18/1350862418.db2.gz ZTZIKPZPMZQUOW-SNVBAGLBSA-N -1 3 334.405 2.415 20 5 EEBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001604112798 1350862423 /nfs/dbraw/zinc/86/24/23/1350862423.db2.gz ZTZIKPZPMZQUOW-SNVBAGLBSA-N -1 3 334.405 2.415 20 5 EEBDHM CCc1c[nH]c(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001604507073 1350951111 /nfs/dbraw/zinc/95/11/11/1350951111.db2.gz VEUZRVBWBCKPBS-UHFFFAOYSA-N -1 3 331.361 2.353 20 5 EEBDHM CCc1c[nH]c(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001604507073 1350951113 /nfs/dbraw/zinc/95/11/13/1350951113.db2.gz VEUZRVBWBCKPBS-UHFFFAOYSA-N -1 3 331.361 2.353 20 5 EEBDHM CCc1noc(C)c1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604586378 1350965076 /nfs/dbraw/zinc/96/50/76/1350965076.db2.gz JCNYDMNVKTWHSZ-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CCc1noc(C)c1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604586378 1350965077 /nfs/dbraw/zinc/96/50/77/1350965077.db2.gz JCNYDMNVKTWHSZ-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1sccc1-c1nnn[n-]1 ZINC001605307894 1351132085 /nfs/dbraw/zinc/13/20/85/1351132085.db2.gz OUOIMZSYGZZQDP-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1 ZINC001606606137 1351331090 /nfs/dbraw/zinc/33/10/90/1351331090.db2.gz VQBYPSLWSOEZAM-WMLDXEAASA-N -1 3 348.355 2.211 20 5 EEBDHM O=[N+]([O-])c1cc(NCCCOCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC001607080290 1351409461 /nfs/dbraw/zinc/40/94/61/1351409461.db2.gz SJXNDRKVBKYEBL-UHFFFAOYSA-N -1 3 346.269 2.156 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(CC(F)(F)F)C1 ZINC001607083447 1351410856 /nfs/dbraw/zinc/41/08/56/1351410856.db2.gz GPNAUFSEEQUHNJ-UHFFFAOYSA-N -1 3 328.254 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(CC(F)(F)F)C1 ZINC001607083447 1351410857 /nfs/dbraw/zinc/41/08/57/1351410857.db2.gz GPNAUFSEEQUHNJ-UHFFFAOYSA-N -1 3 328.254 2.164 20 5 EEBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001607085418 1351412108 /nfs/dbraw/zinc/41/21/08/1351412108.db2.gz BAVBPEIGTHBFGV-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001607085418 1351412111 /nfs/dbraw/zinc/41/21/11/1351412111.db2.gz BAVBPEIGTHBFGV-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM Cc1cc(N2CCc3ncccc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592009741 1403982145 /nfs/dbraw/zinc/98/21/45/1403982145.db2.gz PPIBZRLUYLBPDV-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM Cc1cc(N2CCc3ncccc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592009741 1403982151 /nfs/dbraw/zinc/98/21/51/1403982151.db2.gz PPIBZRLUYLBPDV-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2F)cc1N ZINC001210379628 757914075 /nfs/dbraw/zinc/91/40/75/757914075.db2.gz GLEVCWMQSYIBQG-UHFFFAOYSA-N -1 3 325.321 2.425 20 5 EEBDHM CC(C)C(=O)N1CCC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001063310155 790631686 /nfs/dbraw/zinc/63/16/86/790631686.db2.gz CJUVQPZTRABGBN-UHFFFAOYSA-N -1 3 336.392 2.392 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001107339905 786944183 /nfs/dbraw/zinc/94/41/83/786944183.db2.gz LWELRTRHILZVTM-OWOJBTEDSA-N -1 3 346.387 2.216 20 5 EEBDHM Cc1cc(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)[nH]1 ZINC001107543521 787562594 /nfs/dbraw/zinc/56/25/94/787562594.db2.gz ZKFIPQYEKZCCEI-ONEGZZNKSA-N -1 3 345.359 2.038 20 5 EEBDHM Cc1cc(C)c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001093903992 795798166 /nfs/dbraw/zinc/79/81/66/795798166.db2.gz IILIOIIPWVMHBB-UHFFFAOYSA-N -1 3 336.373 2.216 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cc1ccc(C)o1 ZINC001106722595 796280535 /nfs/dbraw/zinc/28/05/35/796280535.db2.gz GWHBMQLOQMNCAP-UHFFFAOYSA-N -1 3 348.359 2.100 20 5 EEBDHM O=C([O-])c1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001595242228 949481223 /nfs/dbraw/zinc/48/12/23/949481223.db2.gz SHIKQYUJGYWGQR-UHFFFAOYSA-N -1 3 330.344 2.327 20 5 EEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000056088639 214357493 /nfs/dbraw/zinc/35/74/93/214357493.db2.gz MOXJHFAUXCDALN-UHFFFAOYSA-N -1 3 328.296 2.352 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000352199619 153000856 /nfs/dbraw/zinc/00/08/56/153000856.db2.gz AYCYNYVXZJQAMK-QWRGUYRKSA-N -1 3 343.405 2.238 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CC(C)(C)C)cc1C ZINC000128786312 292347202 /nfs/dbraw/zinc/34/72/02/292347202.db2.gz DVOZPQVAWLLUTN-GFCCVEGCSA-N -1 3 344.433 2.287 20 5 EEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)C1CC1 ZINC000069129098 159025468 /nfs/dbraw/zinc/02/54/68/159025468.db2.gz ILROVNXCYNNNPL-VIFPVBQESA-N -1 3 347.824 2.009 20 5 EEBDHM O=C([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000107113461 159327785 /nfs/dbraw/zinc/32/77/85/159327785.db2.gz OERLNNWXEGFIAD-UHFFFAOYSA-N -1 3 334.679 2.069 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000190081427 160154527 /nfs/dbraw/zinc/15/45/27/160154527.db2.gz MRFLDJHYRSFUNA-GFCCVEGCSA-N -1 3 344.433 2.287 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000341651277 161003038 /nfs/dbraw/zinc/00/30/38/161003038.db2.gz ZGGJGWNMDKCDJV-LLVKDONJSA-N -1 3 338.316 2.146 20 5 EEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000341900031 161022500 /nfs/dbraw/zinc/02/25/00/161022500.db2.gz PIHZMVFLYPBAOO-MRVPVSSYSA-N -1 3 326.296 2.441 20 5 EEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000341900033 161022517 /nfs/dbraw/zinc/02/25/17/161022517.db2.gz PIHZMVFLYPBAOO-QMMMGPOBSA-N -1 3 326.296 2.441 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000342530037 161071918 /nfs/dbraw/zinc/07/19/18/161071918.db2.gz OWTKRSJYAHDQCN-KWQFWETISA-N -1 3 334.419 2.201 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c(F)c1 ZINC000344088371 161197479 /nfs/dbraw/zinc/19/74/79/161197479.db2.gz QJJYBZSUQKEFRH-SNVBAGLBSA-N -1 3 334.394 2.298 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000352127710 162078244 /nfs/dbraw/zinc/07/82/44/162078244.db2.gz RJKVRBPLSWNSMZ-SNVBAGLBSA-N -1 3 341.414 2.442 20 5 EEBDHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352383201 162114683 /nfs/dbraw/zinc/11/46/83/162114683.db2.gz IKWDOMDQWJWOHU-UHFFFAOYSA-N -1 3 348.319 2.152 20 5 EEBDHM CSCCO[N-]C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000279827340 269309924 /nfs/dbraw/zinc/30/99/24/269309924.db2.gz AVDBWKNEWDUKKD-UHFFFAOYSA-N -1 3 334.781 2.428 20 5 EEBDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000285579358 274756106 /nfs/dbraw/zinc/75/61/06/274756106.db2.gz WVIZSDYAQGPLET-UHFFFAOYSA-N -1 3 339.373 2.413 20 5 EEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000291993128 275361723 /nfs/dbraw/zinc/36/17/23/275361723.db2.gz UCBOAOWPSMRQAB-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM COc1cc([C@H]2NC(=O)c3cccc(OC)c3O2)c([N+](=O)[O-])cc1[O-] ZINC000358849644 295026095 /nfs/dbraw/zinc/02/60/95/295026095.db2.gz ALCNDOWBOAIPIU-INIZCTEOSA-N -1 3 346.295 2.139 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH]c1=O ZINC000158293516 311326628 /nfs/dbraw/zinc/32/66/28/311326628.db2.gz MKRJVSOBFDUJJH-UHFFFAOYSA-N -1 3 343.748 2.046 20 5 EEBDHM CSC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC1 ZINC000332456116 312010248 /nfs/dbraw/zinc/01/02/48/312010248.db2.gz HPEJJQZMHYVPSD-UHFFFAOYSA-N -1 3 330.431 2.467 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)O2)cc1C ZINC000416538366 313250518 /nfs/dbraw/zinc/25/05/18/313250518.db2.gz WHDBYAJICCCTIC-NEPJUHHUSA-N -1 3 328.390 2.057 20 5 EEBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416579024 313263540 /nfs/dbraw/zinc/26/35/40/313263540.db2.gz HJYPWMZPDZVIBJ-VIFPVBQESA-N -1 3 336.797 2.199 20 5 EEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000416619542 313275560 /nfs/dbraw/zinc/27/55/60/313275560.db2.gz QHNUOCMCQTWEFY-LLVKDONJSA-N -1 3 328.390 2.139 20 5 EEBDHM CN(C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436964964 315017277 /nfs/dbraw/zinc/01/72/77/315017277.db2.gz JIQZMXLHZOSGOT-UHFFFAOYSA-N -1 3 345.355 2.493 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(F)c1 ZINC000525701600 317069069 /nfs/dbraw/zinc/06/90/69/317069069.db2.gz YHMCDHDXEGQKJA-UHFFFAOYSA-N -1 3 328.365 2.448 20 5 EEBDHM COCC1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCCC1 ZINC000566495447 319294894 /nfs/dbraw/zinc/29/48/94/319294894.db2.gz WVIVVCIEPZVEFH-UHFFFAOYSA-N -1 3 342.417 2.449 20 5 EEBDHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000337203264 465241835 /nfs/dbraw/zinc/24/18/35/465241835.db2.gz HLXJDEJNPLARAB-UHFFFAOYSA-N -1 3 348.808 2.343 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157786985 463169641 /nfs/dbraw/zinc/16/96/41/463169641.db2.gz MORCEFGPPHWJHY-OCCSQVGLSA-N -1 3 342.417 2.448 20 5 EEBDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000054516500 463240789 /nfs/dbraw/zinc/24/07/89/463240789.db2.gz UFBTZQBVYFNQJR-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000162608756 463524330 /nfs/dbraw/zinc/52/43/30/463524330.db2.gz OHZMGKGDZDXTFL-JSGCOSHPSA-N -1 3 340.401 2.139 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000125596400 463559811 /nfs/dbraw/zinc/55/98/11/463559811.db2.gz HGXGWAAMEKWTMI-MRVPVSSYSA-N -1 3 334.419 2.058 20 5 EEBDHM CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000193667354 463724881 /nfs/dbraw/zinc/72/48/81/463724881.db2.gz AFTSZWZPNINZOI-UHFFFAOYSA-N -1 3 331.332 2.189 20 5 EEBDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000270032224 464165828 /nfs/dbraw/zinc/16/58/28/464165828.db2.gz YNJWHJJVUDCHIF-QMMMGPOBSA-N -1 3 327.387 2.399 20 5 EEBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000188379654 464267664 /nfs/dbraw/zinc/26/76/64/464267664.db2.gz ZDBXOQQEUMZGLX-GFCCVEGCSA-N -1 3 334.369 2.073 20 5 EEBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173521075 464276375 /nfs/dbraw/zinc/27/63/75/464276375.db2.gz GHFRXYDTFOKBDP-SECBINFHSA-N -1 3 334.369 2.216 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCCO2)cc1C ZINC000272108379 464480806 /nfs/dbraw/zinc/48/08/06/464480806.db2.gz YKKQHPNPRRPUEX-JSGCOSHPSA-N -1 3 342.417 2.448 20 5 EEBDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175128944 464495202 /nfs/dbraw/zinc/49/52/02/464495202.db2.gz OSIJNQDUSPZWAT-DOMZBBRYSA-N -1 3 342.417 2.324 20 5 EEBDHM CCc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000182460864 464661133 /nfs/dbraw/zinc/66/11/33/464661133.db2.gz YZBFWJAZURUZPI-UHFFFAOYSA-N -1 3 327.247 2.129 20 5 EEBDHM CNc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cccc1[N+](=O)[O-] ZINC000361161960 465808512 /nfs/dbraw/zinc/80/85/12/465808512.db2.gz PKWDRVKHCMLXTC-UHFFFAOYSA-N -1 3 339.315 2.069 20 5 EEBDHM CNc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cccc1[N+](=O)[O-] ZINC000361161960 465808517 /nfs/dbraw/zinc/80/85/17/465808517.db2.gz PKWDRVKHCMLXTC-UHFFFAOYSA-N -1 3 339.315 2.069 20 5 EEBDHM CNc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC000361161960 465808523 /nfs/dbraw/zinc/80/85/23/465808523.db2.gz PKWDRVKHCMLXTC-UHFFFAOYSA-N -1 3 339.315 2.069 20 5 EEBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000346611182 466116238 /nfs/dbraw/zinc/11/62/38/466116238.db2.gz VPBMHNDLEYOYPP-LLVKDONJSA-N -1 3 346.405 2.087 20 5 EEBDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000338725352 466336782 /nfs/dbraw/zinc/33/67/82/466336782.db2.gz MIZFZMMNSUONRS-ONGXEEELSA-N -1 3 348.808 2.484 20 5 EEBDHM COC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000339010912 466568084 /nfs/dbraw/zinc/56/80/84/466568084.db2.gz XXAJLYFAROCCSV-UHFFFAOYSA-N -1 3 348.808 2.486 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000592116533 468629281 /nfs/dbraw/zinc/62/92/81/468629281.db2.gz VQQPZVDSORJCJH-WDEREUQCSA-N -1 3 330.431 2.384 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CC2(O)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000595410016 468842011 /nfs/dbraw/zinc/84/20/11/468842011.db2.gz IRYTYOSFIHEJJE-UHFFFAOYSA-N -1 3 348.446 2.184 20 5 EEBDHM CCC1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000601382182 468850702 /nfs/dbraw/zinc/85/07/02/468850702.db2.gz PUTKCBWTFXBFJU-UHFFFAOYSA-N -1 3 346.380 2.280 20 5 EEBDHM Cc1cccc(C)c1OC[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596087697 469148872 /nfs/dbraw/zinc/14/88/72/469148872.db2.gz KEXFIDAXBNLGKC-GFCCVEGCSA-N -1 3 333.344 2.164 20 5 EEBDHM Cc1nc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)sc1C ZINC000596173126 469185462 /nfs/dbraw/zinc/18/54/62/469185462.db2.gz QMAOMHUYWYHRSN-UHFFFAOYSA-N -1 3 335.389 2.095 20 5 EEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OCC ZINC000599367543 469230947 /nfs/dbraw/zinc/23/09/47/469230947.db2.gz IYFGYANFVLPVKQ-LBPRGKRZSA-N -1 3 346.405 2.087 20 5 EEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])s1 ZINC000738234335 578005162 /nfs/dbraw/zinc/00/51/62/578005162.db2.gz BMZYKNADAUJDEL-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])s1 ZINC000738234335 578005163 /nfs/dbraw/zinc/00/51/63/578005163.db2.gz BMZYKNADAUJDEL-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C([N-]N1CN=NC1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000777765141 577486065 /nfs/dbraw/zinc/48/60/65/577486065.db2.gz FJFXBKVMYYYCFA-UHFFFAOYSA-N -1 3 340.299 2.019 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2cccc(F)c2F)cs1 ZINC000768830246 577563476 /nfs/dbraw/zinc/56/34/76/577563476.db2.gz DGLYFZRCEOADPS-UHFFFAOYSA-N -1 3 348.352 2.456 20 5 EEBDHM C[C@@H](C(=O)[N-]N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000762945344 577711743 /nfs/dbraw/zinc/71/17/43/577711743.db2.gz MYHCRXVTVRFOGU-SNVBAGLBSA-N -1 3 339.307 2.026 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737283541 578247919 /nfs/dbraw/zinc/24/79/19/578247919.db2.gz SYYRQCWOGLCOKA-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737283541 578247920 /nfs/dbraw/zinc/24/79/20/578247920.db2.gz SYYRQCWOGLCOKA-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737284724 578248027 /nfs/dbraw/zinc/24/80/27/578248027.db2.gz MBDWZYQZQHEYRR-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737284724 578248028 /nfs/dbraw/zinc/24/80/28/578248028.db2.gz MBDWZYQZQHEYRR-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM COC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000821683753 606174140 /nfs/dbraw/zinc/17/41/40/606174140.db2.gz JQNLCKXWONLXOE-GFCCVEGCSA-N -1 3 344.331 2.476 20 5 EEBDHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000821683753 606174141 /nfs/dbraw/zinc/17/41/41/606174141.db2.gz JQNLCKXWONLXOE-GFCCVEGCSA-N -1 3 344.331 2.476 20 5 EEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822982291 606662873 /nfs/dbraw/zinc/66/28/73/606662873.db2.gz DJIBCLLHKNURDV-UHFFFAOYSA-N -1 3 339.311 2.313 20 5 EEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822982291 606662874 /nfs/dbraw/zinc/66/28/74/606662874.db2.gz DJIBCLLHKNURDV-UHFFFAOYSA-N -1 3 339.311 2.313 20 5 EEBDHM O=C(OCCc1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823409371 606824553 /nfs/dbraw/zinc/82/45/53/606824553.db2.gz FRSGRQMPCRTMGI-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM O=C(OCCc1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823409371 606824555 /nfs/dbraw/zinc/82/45/55/606824555.db2.gz FRSGRQMPCRTMGI-UHFFFAOYSA-N -1 3 345.340 2.236 20 5 EEBDHM O=C(COc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000826419057 608133752 /nfs/dbraw/zinc/13/37/52/608133752.db2.gz HPZCZGRLKKJULU-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM O=C(COc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000826419057 608133753 /nfs/dbraw/zinc/13/37/53/608133753.db2.gz HPZCZGRLKKJULU-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM COc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826204267 608276485 /nfs/dbraw/zinc/27/64/85/608276485.db2.gz DSFDBABOCRWKJS-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826204267 608276487 /nfs/dbraw/zinc/27/64/87/608276487.db2.gz DSFDBABOCRWKJS-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826270474 609244694 /nfs/dbraw/zinc/24/46/94/609244694.db2.gz BNOYFCPPJRLGEE-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826270474 609244696 /nfs/dbraw/zinc/24/46/96/609244696.db2.gz BNOYFCPPJRLGEE-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001059378676 684582228 /nfs/dbraw/zinc/58/22/28/684582228.db2.gz PWOYUWIVASIZQL-XYPYZODXSA-N -1 3 334.376 2.191 20 5 EEBDHM COC(=O)c1cc(C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)c[n-]1 ZINC000814529870 1199581173 /nfs/dbraw/zinc/58/11/73/1199581173.db2.gz AYXJLZCAZYVTBP-UHFFFAOYSA-N -1 3 334.284 2.075 20 5 EEBDHM CC(C)(C)/C=C\C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095399244 1204887644 /nfs/dbraw/zinc/88/76/44/1204887644.db2.gz UPOLHTIWPXDXPJ-YWEYNIOJSA-N -1 3 348.403 2.383 20 5 EEBDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)n[n-]2)o1 ZINC000779229687 1209431238 /nfs/dbraw/zinc/43/12/38/1209431238.db2.gz GJQYDOHJATVXGC-UHFFFAOYSA-N -1 3 342.315 2.424 20 5 EEBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001212937345 1214668897 /nfs/dbraw/zinc/66/88/97/1214668897.db2.gz ZSAAAJPDWNYSIR-UHFFFAOYSA-N -1 3 342.267 2.184 20 5 EEBDHM O=C(C1CC=CC1)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057485754 1243945239 /nfs/dbraw/zinc/94/52/39/1243945239.db2.gz KODDJVMFOSIRCS-UHFFFAOYSA-N -1 3 346.387 2.312 20 5 EEBDHM C[C@@H](C[NH+](C)C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234750262 1305018803 /nfs/dbraw/zinc/01/88/03/1305018803.db2.gz IQDPNLMZCRVSIU-VIFPVBQESA-N -1 3 345.351 2.392 20 5 EEBDHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1ccnc2c1ccc1cccnc12 ZINC001155806306 1317743245 /nfs/dbraw/zinc/74/32/45/1317743245.db2.gz YPMAUOHIFUYLSQ-UHFFFAOYSA-N -1 3 341.334 2.075 20 5 EEBDHM NCc1nc(=O)[n-]n1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001157934231 1318938583 /nfs/dbraw/zinc/93/85/83/1318938583.db2.gz UPNLYCQYGPOHLE-UHFFFAOYSA-N -1 3 326.747 2.181 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001164375465 1321365987 /nfs/dbraw/zinc/36/59/87/1321365987.db2.gz UBVIPGJLWBTINH-SNVBAGLBSA-N -1 3 331.307 2.206 20 5 EEBDHM COC(=O)c1ccc2c(c1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001307199470 1329845004 /nfs/dbraw/zinc/84/50/04/1329845004.db2.gz RUFUQAKXJUBDGW-UHFFFAOYSA-N -1 3 329.312 2.045 20 5 EEBDHM Cc1nc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ncc1[N+](=O)[O-] ZINC001307230286 1331520213 /nfs/dbraw/zinc/52/02/13/1331520213.db2.gz NPCGCSSMHYHJMC-XYPYZODXSA-N -1 3 330.348 2.327 20 5 EEBDHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309086372 1331616372 /nfs/dbraw/zinc/61/63/72/1331616372.db2.gz YZGSQQWULBWIJS-JTQLQIEISA-N -1 3 339.348 2.038 20 5 EEBDHM CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309783990 1331641495 /nfs/dbraw/zinc/64/14/95/1331641495.db2.gz BQVJEAQZICXUNI-PSASIEDQSA-N -1 3 336.797 2.076 20 5 EEBDHM C[C@@H](CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001609111722 1351848588 /nfs/dbraw/zinc/84/85/88/1351848588.db2.gz DUESOJWKJXMREE-NSHDSACASA-N -1 3 339.359 2.410 20 5 EEBDHM C[C@@H](CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001609111722 1351848592 /nfs/dbraw/zinc/84/85/92/1351848592.db2.gz DUESOJWKJXMREE-NSHDSACASA-N -1 3 339.359 2.410 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001323940549 1333576501 /nfs/dbraw/zinc/57/65/01/1333576501.db2.gz SLROKXBEVJSRHR-UHFFFAOYSA-N -1 3 344.371 2.033 20 5 EEBDHM C[C@H]1CC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609161735 1351870053 /nfs/dbraw/zinc/87/00/53/1351870053.db2.gz YOWWZVGLGDLQSX-UWVGGRQHSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@H]1CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609161735 1351870054 /nfs/dbraw/zinc/87/00/54/1351870054.db2.gz YOWWZVGLGDLQSX-UWVGGRQHSA-N -1 3 331.332 2.254 20 5 EEBDHM CCn1ccnc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609258727 1351913539 /nfs/dbraw/zinc/91/35/39/1351913539.db2.gz 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O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498085 609591880 /nfs/dbraw/zinc/59/18/80/609591880.db2.gz HKSHNZNXIPMBCT-GFCCVEGCSA-N -1 3 344.375 2.028 20 5 EEBDHM O=C(Cc1cccs1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059132212 682501174 /nfs/dbraw/zinc/50/11/74/682501174.db2.gz QJVHXXJLNMKWSK-MGCOHNPYSA-N -1 3 348.384 2.059 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1)c1ccccc1[O-] ZINC001059153013 682723254 /nfs/dbraw/zinc/72/32/54/682723254.db2.gz FQTCNBYIIBFZAF-MGCOHNPYSA-N -1 3 346.318 2.207 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccsc1 ZINC001059559400 687100536 /nfs/dbraw/zinc/10/05/36/687100536.db2.gz CAJZBZUNHGTIRP-AOOOYVTPSA-N -1 3 334.357 2.130 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC001059759834 689226777 /nfs/dbraw/zinc/22/67/77/689226777.db2.gz JEWQSWOELJUANE-AOOOYVTPSA-N -1 3 338.339 2.037 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 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MPAOVUIQZOAIKN-SNVBAGLBSA-N -1 3 340.405 2.066 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837545358 1315092388 /nfs/dbraw/zinc/09/23/88/1315092388.db2.gz DBEIKHJDPNUYCA-UHFFFAOYSA-N -1 3 329.312 2.254 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156277210 1317947593 /nfs/dbraw/zinc/94/75/93/1317947593.db2.gz FHWINZZEDIEONT-QMMMGPOBSA-N -1 3 348.750 2.115 20 5 EEBDHM C[C@H]1CN(CCc2nnc(-c3ccc([O-])cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258146554 1319188918 /nfs/dbraw/zinc/18/89/18/1319188918.db2.gz ONTCDXPPJXNXKH-QWRGUYRKSA-N -1 3 348.359 2.002 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001307176330 1329084955 /nfs/dbraw/zinc/08/49/55/1329084955.db2.gz VQTTZONJSQXJQA-QMMMGPOBSA-N -1 3 328.275 2.120 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001307176061 1331514861 /nfs/dbraw/zinc/51/48/61/1331514861.db2.gz OTRRGNUPDMMOFF-SECBINFHSA-N -1 3 347.762 2.142 20 5 EEBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccs1 ZINC001609127814 1351853963 /nfs/dbraw/zinc/85/39/63/1351853963.db2.gz XLPWPQITAJOHJV-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM O=C([O-])[C@H](CNCc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC001324577318 1333714099 /nfs/dbraw/zinc/71/40/99/1333714099.db2.gz WEHIEHOEJYSQPN-HNNXBMFYSA-N -1 3 334.303 2.356 20 5 EEBDHM Cc1cc(CN(C)c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC001609400477 1351960800 /nfs/dbraw/zinc/96/08/00/1351960800.db2.gz RJVRLWSCQUFFRN-UHFFFAOYSA-N -1 3 329.320 2.016 20 5 EEBDHM Cc1cc(CN(C)c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC001609400477 1351960803 /nfs/dbraw/zinc/96/08/03/1351960803.db2.gz RJVRLWSCQUFFRN-UHFFFAOYSA-N -1 3 329.320 2.016 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](CO)CC1CCCC1 ZINC001609600163 1352030837 /nfs/dbraw/zinc/03/08/37/1352030837.db2.gz TZBBWYJSYWUIMX-GFCCVEGCSA-N -1 3 346.391 2.376 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](CO)CC1CCCC1 ZINC001609600163 1352030841 /nfs/dbraw/zinc/03/08/41/1352030841.db2.gz TZBBWYJSYWUIMX-GFCCVEGCSA-N -1 3 346.391 2.376 20 5 EEBDHM O=[N+]([O-])c1cncc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC001609604449 1352033229 /nfs/dbraw/zinc/03/32/29/1352033229.db2.gz QOYAUEQSIHYBNG-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cncc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1 ZINC001609604449 1352033231 /nfs/dbraw/zinc/03/32/31/1352033231.db2.gz QOYAUEQSIHYBNG-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM CCc1cc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000848582781 1338724946 /nfs/dbraw/zinc/72/49/46/1338724946.db2.gz JGRGKRUOLCTNDK-UHFFFAOYSA-N -1 3 340.286 2.168 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC001580620653 1344545641 /nfs/dbraw/zinc/54/56/41/1344545641.db2.gz LADJNUBKSFGETI-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC001580620653 1344545645 /nfs/dbraw/zinc/54/56/45/1344545645.db2.gz LADJNUBKSFGETI-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001582634269 1344772400 /nfs/dbraw/zinc/77/24/00/1344772400.db2.gz MYFIJXDVGIGMHE-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001582634269 1344772403 /nfs/dbraw/zinc/77/24/03/1344772403.db2.gz MYFIJXDVGIGMHE-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCSc2ccncc2-c2nnn[n-]2)c1 ZINC001582804696 1344793139 /nfs/dbraw/zinc/79/31/39/1344793139.db2.gz ZDQKCCVWYZAPJG-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCSc2ccncc2-c2nn[n-]n2)c1 ZINC001582804696 1344793143 /nfs/dbraw/zinc/79/31/43/1344793143.db2.gz ZDQKCCVWYZAPJG-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001589105462 1348961320 /nfs/dbraw/zinc/96/13/20/1348961320.db2.gz WLUVHDVBRSYZFB-CQSZACIVSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001589105462 1348961322 /nfs/dbraw/zinc/96/13/22/1348961322.db2.gz WLUVHDVBRSYZFB-CQSZACIVSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589944993 1349071985 /nfs/dbraw/zinc/07/19/85/1349071985.db2.gz ZWHITEUNGKDPPU-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589944993 1349071989 /nfs/dbraw/zinc/07/19/89/1349071989.db2.gz ZWHITEUNGKDPPU-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC001590106047 1349158649 /nfs/dbraw/zinc/15/86/49/1349158649.db2.gz MLFAWRUJANVVEU-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC001590106047 1349158657 /nfs/dbraw/zinc/15/86/57/1349158657.db2.gz MLFAWRUJANVVEU-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1(C)C ZINC001590274681 1349243415 /nfs/dbraw/zinc/24/34/15/1349243415.db2.gz ODSGPIQXTLSMJN-SECBINFHSA-N -1 3 331.380 2.230 20 5 EEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1(C)C ZINC001590274681 1349243420 /nfs/dbraw/zinc/24/34/20/1349243420.db2.gz ODSGPIQXTLSMJN-SECBINFHSA-N -1 3 331.380 2.230 20 5 EEBDHM CC[C@H](C)[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590401795 1349305171 /nfs/dbraw/zinc/30/51/71/1349305171.db2.gz XGCKFABAVBXFSA-ISVAXAHUSA-N -1 3 338.343 2.387 20 5 EEBDHM CC[C@H](C)[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590401795 1349305177 /nfs/dbraw/zinc/30/51/77/1349305177.db2.gz XGCKFABAVBXFSA-ISVAXAHUSA-N -1 3 338.343 2.387 20 5 EEBDHM O=Cc1ccccc1OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593416223 1349798766 /nfs/dbraw/zinc/79/87/66/1349798766.db2.gz OZFKVLNXBFRZTL-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=Cc1ccccc1OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593416223 1349798772 /nfs/dbraw/zinc/79/87/72/1349798772.db2.gz OZFKVLNXBFRZTL-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(Oc2ccccc2)C1 ZINC001593473790 1349808026 /nfs/dbraw/zinc/80/80/26/1349808026.db2.gz ASUXGHYESPSOQC-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(Oc2ccccc2)C1 ZINC001593473790 1349808029 /nfs/dbraw/zinc/80/80/29/1349808029.db2.gz ASUXGHYESPSOQC-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H](O)c1ccc(F)cc1 ZINC001593475230 1349809036 /nfs/dbraw/zinc/80/90/36/1349809036.db2.gz MWHMAIMDLATBKA-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H](O)c1ccc(F)cc1 ZINC001593475230 1349809052 /nfs/dbraw/zinc/80/90/52/1349809052.db2.gz MWHMAIMDLATBKA-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Sc1cccc(CO)c1 ZINC001593474706 1349809392 /nfs/dbraw/zinc/80/93/92/1349809392.db2.gz GWHAWEMOSIFTLI-UHFFFAOYSA-N -1 3 329.341 2.418 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Sc1cccc(CO)c1 ZINC001593474706 1349809397 /nfs/dbraw/zinc/80/93/97/1349809397.db2.gz GWHAWEMOSIFTLI-UHFFFAOYSA-N -1 3 329.341 2.418 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001593484859 1349813642 /nfs/dbraw/zinc/81/36/42/1349813642.db2.gz KRKTXVLYSGWJKM-UHFFFAOYSA-N -1 3 325.332 2.215 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001593484859 1349813644 /nfs/dbraw/zinc/81/36/44/1349813644.db2.gz KRKTXVLYSGWJKM-UHFFFAOYSA-N -1 3 325.332 2.215 20 5 EEBDHM O=[N+]([O-])c1sccc1N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593488026 1349815982 /nfs/dbraw/zinc/81/59/82/1349815982.db2.gz DONLJUYCQMYTFG-LLVKDONJSA-N -1 3 328.357 2.416 20 5 EEBDHM O=[N+]([O-])c1sccc1N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593488026 1349815987 /nfs/dbraw/zinc/81/59/87/1349815987.db2.gz DONLJUYCQMYTFG-LLVKDONJSA-N -1 3 328.357 2.416 20 5 EEBDHM O=C([O-])C[C@]1(NCc2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC001601935912 1350401351 /nfs/dbraw/zinc/40/13/51/1350401351.db2.gz DUNTXASDEJHZJC-CQSZACIVSA-N -1 3 328.752 2.362 20 5 EEBDHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC1 ZINC001603036005 1350625526 /nfs/dbraw/zinc/62/55/26/1350625526.db2.gz AJMJQSLUBWTXCU-SECBINFHSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001603036005 1350625530 /nfs/dbraw/zinc/62/55/30/1350625530.db2.gz AJMJQSLUBWTXCU-SECBINFHSA-N -1 3 331.332 2.254 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603066311 1350631321 /nfs/dbraw/zinc/63/13/21/1350631321.db2.gz SWSLAOMCCLNNMG-CYBMUJFWSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603066311 1350631326 /nfs/dbraw/zinc/63/13/26/1350631326.db2.gz SWSLAOMCCLNNMG-CYBMUJFWSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@H](O)c1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001603698295 1350744866 /nfs/dbraw/zinc/74/48/66/1350744866.db2.gz YCRTXJHVSLTNPU-JTQLQIEISA-N -1 3 340.343 2.440 20 5 EEBDHM C[C@H](O)c1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001603698295 1350744869 /nfs/dbraw/zinc/74/48/69/1350744869.db2.gz YCRTXJHVSLTNPU-JTQLQIEISA-N -1 3 340.343 2.440 20 5 EEBDHM CC1(C)C[C@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001603762358 1350760190 /nfs/dbraw/zinc/76/01/90/1350760190.db2.gz DHCUPFRGWYWJEM-SNVBAGLBSA-N -1 3 347.379 2.176 20 5 EEBDHM CC1(C)C[C@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001603762358 1350760193 /nfs/dbraw/zinc/76/01/93/1350760193.db2.gz DHCUPFRGWYWJEM-SNVBAGLBSA-N -1 3 347.379 2.176 20 5 EEBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603818571 1350775690 /nfs/dbraw/zinc/77/56/90/1350775690.db2.gz IETFBPAODRBHNV-XJKSGUPXSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603818571 1350775694 /nfs/dbraw/zinc/77/56/94/1350775694.db2.gz IETFBPAODRBHNV-XJKSGUPXSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@@H]1CCC[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001603886465 1350793224 /nfs/dbraw/zinc/79/32/24/1350793224.db2.gz LOGZNTGNDRLDRB-RKDXNWHRSA-N -1 3 336.327 2.284 20 5 EEBDHM C[C@@H]1CCC[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001603886465 1350793229 /nfs/dbraw/zinc/79/32/29/1350793229.db2.gz LOGZNTGNDRLDRB-RKDXNWHRSA-N -1 3 336.327 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccc(F)c1F ZINC001607079598 1351408679 /nfs/dbraw/zinc/40/86/79/1351408679.db2.gz BVSKQLZNQPJELP-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccc(F)c1F ZINC001607079598 1351408682 /nfs/dbraw/zinc/40/86/82/1351408682.db2.gz BVSKQLZNQPJELP-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001607082507 1351409971 /nfs/dbraw/zinc/40/99/71/1351409971.db2.gz YLUGGGQXPGNOJB-UPHRSURJSA-N -1 3 339.271 2.249 20 5 EEBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001607082507 1351409974 /nfs/dbraw/zinc/40/99/74/1351409974.db2.gz YLUGGGQXPGNOJB-UPHRSURJSA-N -1 3 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Cc1c(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000784474921 1304485337 /nfs/dbraw/zinc/48/53/37/1304485337.db2.gz AEZLQSVACIYNGS-UHFFFAOYSA-N -1 3 348.319 2.410 20 5 EEBDHM Cc1ccc(-c2ccc(Nc3cnc(C)[n-]c3=O)nn2)cc1[N+](=O)[O-] ZINC001162302967 1320815382 /nfs/dbraw/zinc/81/53/82/1320815382.db2.gz MJBUQZYYLVSETD-ZDUSSCGKSA-N -1 3 338.327 2.170 20 5 EEBDHM Cc1cc(NCc2ccc(CO)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605739229 1351220533 /nfs/dbraw/zinc/22/05/33/1351220533.db2.gz BVBTXXICPAKOCZ-UHFFFAOYSA-N -1 3 340.343 2.188 20 5 EEBDHM Cc1cc(NCc2ccc(CO)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605739229 1351220535 /nfs/dbraw/zinc/22/05/35/1351220535.db2.gz BVBTXXICPAKOCZ-UHFFFAOYSA-N -1 3 340.343 2.188 20 5 EEBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309613736 1331635916 /nfs/dbraw/zinc/63/59/16/1331635916.db2.gz ZTUHMJIIIWXPDQ-WPRPVWTQSA-N -1 3 336.435 2.040 20 5 EEBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OCC1CC1 ZINC001609084385 1351835723 /nfs/dbraw/zinc/83/57/23/1351835723.db2.gz YGKWEYVNBLHKRJ-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OCC1CC1 ZINC001609084385 1351835724 /nfs/dbraw/zinc/83/57/24/1351835724.db2.gz YGKWEYVNBLHKRJ-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM CC(C)OCCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609101449 1351843918 /nfs/dbraw/zinc/84/39/18/1351843918.db2.gz QWVVFUVDJZGGNM-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM CC(C)OCCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609101449 1351843920 /nfs/dbraw/zinc/84/39/20/1351843920.db2.gz QWVVFUVDJZGGNM-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM Cc1c(C(=O)OCc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609382856 1351953727 /nfs/dbraw/zinc/95/37/27/1351953727.db2.gz VGKZIHLACLGDMN-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1c(C(=O)OCc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609382856 1351953729 /nfs/dbraw/zinc/95/37/29/1351953729.db2.gz VGKZIHLACLGDMN-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609577041 1352023366 /nfs/dbraw/zinc/02/33/66/1352023366.db2.gz QMNFNURSZAGUKD-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609577041 1352023369 /nfs/dbraw/zinc/02/33/69/1352023369.db2.gz QMNFNURSZAGUKD-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCc2ccccc21 ZINC001609600682 1352030613 /nfs/dbraw/zinc/03/06/13/1352030613.db2.gz YLXOEPNVZHYWAR-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCc2ccccc21 ZINC001609600682 1352030615 /nfs/dbraw/zinc/03/06/15/1352030615.db2.gz YLXOEPNVZHYWAR-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC001609602127 1352031877 /nfs/dbraw/zinc/03/18/77/1352031877.db2.gz ONMMCIOPBNPHEK-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC001609602127 1352031881 /nfs/dbraw/zinc/03/18/81/1352031881.db2.gz ONMMCIOPBNPHEK-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=C(Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])o1 ZINC001582639385 1344775012 /nfs/dbraw/zinc/77/50/12/1344775012.db2.gz QLYSKKOVNHUMOS-UHFFFAOYSA-N -1 3 334.679 2.274 20 5 EEBDHM O=C(Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])o1 ZINC001582639385 1344775015 /nfs/dbraw/zinc/77/50/15/1344775015.db2.gz QLYSKKOVNHUMOS-UHFFFAOYSA-N -1 3 334.679 2.274 20 5 EEBDHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(F)F ZINC001589029775 1348953093 /nfs/dbraw/zinc/95/30/93/1348953093.db2.gz GUBUZOVYRQLXQP-ZETCQYMHSA-N -1 3 341.274 2.109 20 5 EEBDHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(F)F ZINC001589029775 1348953097 /nfs/dbraw/zinc/95/30/97/1348953097.db2.gz GUBUZOVYRQLXQP-ZETCQYMHSA-N -1 3 341.274 2.109 20 5 EEBDHM CC(C)(NCc1nc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001589324665 1348983970 /nfs/dbraw/zinc/98/39/70/1348983970.db2.gz NIRXOPBQDQWUFD-UHFFFAOYSA-N -1 3 345.388 2.256 20 5 EEBDHM CC(C)(NCc1nc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001589324665 1348983974 /nfs/dbraw/zinc/98/39/74/1348983974.db2.gz NIRXOPBQDQWUFD-UHFFFAOYSA-N -1 3 345.388 2.256 20 5 EEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001589981949 1349092192 /nfs/dbraw/zinc/09/21/92/1349092192.db2.gz LIBPRXVZMFDURB-MEBBXXQBSA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccs1 ZINC001589991019 1349095697 /nfs/dbraw/zinc/09/56/97/1349095697.db2.gz OCLYYKMBIKAVAI-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccs1 ZINC001589991019 1349095701 /nfs/dbraw/zinc/09/57/01/1349095701.db2.gz OCLYYKMBIKAVAI-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM CC1(C)C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001590084057 1349145597 /nfs/dbraw/zinc/14/55/97/1349145597.db2.gz TVKFPZHQHVFAKK-VIFPVBQESA-N -1 3 335.393 2.256 20 5 EEBDHM CC1(C)C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001590084057 1349145602 /nfs/dbraw/zinc/14/56/02/1349145602.db2.gz TVKFPZHQHVFAKK-VIFPVBQESA-N -1 3 335.393 2.256 20 5 EEBDHM CCn1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001590958406 1349423862 /nfs/dbraw/zinc/42/38/62/1349423862.db2.gz IWWMKOYRMGDRRD-UHFFFAOYSA-N -1 3 327.348 2.233 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001591623117 1349518978 /nfs/dbraw/zinc/51/89/78/1349518978.db2.gz JIZQVHFREMCLRU-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001591623117 1349518985 /nfs/dbraw/zinc/51/89/85/1349518985.db2.gz JIZQVHFREMCLRU-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM Cc1cnccc1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592300813 1349618857 /nfs/dbraw/zinc/61/88/57/1349618857.db2.gz KKXFSXBWCIWQRY-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1cnccc1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592300813 1349618859 /nfs/dbraw/zinc/61/88/59/1349618859.db2.gz KKXFSXBWCIWQRY-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](C1CC1)C1CCOCC1 ZINC001593468005 1349804268 /nfs/dbraw/zinc/80/42/68/1349804268.db2.gz ICENVNJRMWWUPQ-HNNXBMFYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C1CC1)C1CCOCC1 ZINC001593468005 1349804272 /nfs/dbraw/zinc/80/42/72/1349804272.db2.gz ICENVNJRMWWUPQ-HNNXBMFYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cnc(Cl)s1 ZINC001593475579 1349808868 /nfs/dbraw/zinc/80/88/68/1349808868.db2.gz QHIQJFCLMYKRQP-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cnc(Cl)s1 ZINC001593475579 1349808875 /nfs/dbraw/zinc/80/88/75/1349808875.db2.gz QHIQJFCLMYKRQP-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nnn[n-]3)ccn2)c(Cl)c1 ZINC001593481084 1349813254 /nfs/dbraw/zinc/81/32/54/1349813254.db2.gz CBSFMZFGAOGSNX-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nn[n-]n3)ccn2)c(Cl)c1 ZINC001593481084 1349813262 /nfs/dbraw/zinc/81/32/62/1349813262.db2.gz CBSFMZFGAOGSNX-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC[C@@H]1CCCOC1 ZINC001593482740 1349814199 /nfs/dbraw/zinc/81/41/99/1349814199.db2.gz RCTOUSKBFAVXNH-SNVBAGLBSA-N -1 3 335.389 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC[C@@H]1CCCOC1 ZINC001593482740 1349814201 /nfs/dbraw/zinc/81/42/01/1349814201.db2.gz RCTOUSKBFAVXNH-SNVBAGLBSA-N -1 3 335.389 2.435 20 5 EEBDHM Cc1nc([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC001600695506 1350117932 /nfs/dbraw/zinc/11/79/32/1350117932.db2.gz RPCIGWJWFFRWHR-LBPRGKRZSA-N -1 3 345.359 2.099 20 5 EEBDHM Cc1n[nH]c([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001600695506 1350117934 /nfs/dbraw/zinc/11/79/34/1350117934.db2.gz RPCIGWJWFFRWHR-LBPRGKRZSA-N -1 3 345.359 2.099 20 5 EEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN[C@H](c3ccc(O)cc3)C2)c1 ZINC001602404597 1350512068 /nfs/dbraw/zinc/51/20/68/1350512068.db2.gz VFXSLWXSJHHNEK-AWEZNQCLSA-N -1 3 343.339 2.150 20 5 EEBDHM CC1(C)CCC[C@]1(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603773412 1350764239 /nfs/dbraw/zinc/76/42/39/1350764239.db2.gz DDKNCUWDACYDEL-HNNXBMFYSA-N -1 3 332.364 2.128 20 5 EEBDHM CC1(C)CCC[C@]1(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603773412 1350764242 /nfs/dbraw/zinc/76/42/42/1350764242.db2.gz DDKNCUWDACYDEL-HNNXBMFYSA-N -1 3 332.364 2.128 20 5 EEBDHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC001605499020 1351172192 /nfs/dbraw/zinc/17/21/92/1351172192.db2.gz SXJXCSUDBXLDHY-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC001605499020 1351172196 /nfs/dbraw/zinc/17/21/96/1351172196.db2.gz SXJXCSUDBXLDHY-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001605532087 1351181911 /nfs/dbraw/zinc/18/19/11/1351181911.db2.gz IVENREFCBDBEAM-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)cc(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001605532087 1351181915 /nfs/dbraw/zinc/18/19/15/1351181915.db2.gz IVENREFCBDBEAM-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1csc(NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001606007246 1351262563 /nfs/dbraw/zinc/26/25/63/1351262563.db2.gz NUEQYSQVOCZNQC-UHFFFAOYSA-N -1 3 346.376 2.064 20 5 EEBDHM Cc1csc(NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001606007246 1351262565 /nfs/dbraw/zinc/26/25/65/1351262565.db2.gz NUEQYSQVOCZNQC-UHFFFAOYSA-N -1 3 346.376 2.064 20 5 EEBDHM O=C(COc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001606579742 1351326005 /nfs/dbraw/zinc/32/60/05/1351326005.db2.gz WTDMRXMIMJAYCP-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=C(COc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001606579742 1351326010 /nfs/dbraw/zinc/32/60/10/1351326010.db2.gz WTDMRXMIMJAYCP-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1cnn(-c2ccccn2)c1 ZINC001607081229 1351409311 /nfs/dbraw/zinc/40/93/11/1351409311.db2.gz CGYANOAOSMDWJG-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1cnn(-c2ccccn2)c1 ZINC001607081229 1351409313 /nfs/dbraw/zinc/40/93/13/1351409313.db2.gz CGYANOAOSMDWJG-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM Cc1ccc(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc1[N+](=O)[O-] ZINC001607780504 1351556845 /nfs/dbraw/zinc/55/68/45/1351556845.db2.gz GZJLLAGDTVWZAT-SFHVURJKSA-N -1 3 348.399 2.485 20 5 EEBDHM O=c1[n-]ccc(N2CCN(Cc3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000853343395 1369328070 /nfs/dbraw/zinc/32/80/70/1369328070.db2.gz CIRTWVWVIZLAKJ-UHFFFAOYSA-N -1 3 349.778 2.066 20 5 EEBDHM CO[C@@H](CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001591334161 1403906088 /nfs/dbraw/zinc/90/60/88/1403906088.db2.gz RAXCLHSITSUVDU-ZDUSSCGKSA-N -1 3 335.389 2.433 20 5 EEBDHM CO[C@@H](CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001591334161 1403906092 /nfs/dbraw/zinc/90/60/92/1403906092.db2.gz RAXCLHSITSUVDU-ZDUSSCGKSA-N -1 3 335.389 2.433 20 5 EEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC001592913899 1404729598 /nfs/dbraw/zinc/72/95/98/1404729598.db2.gz SFWRLXKQSUQVPI-UHFFFAOYSA-N -1 3 345.340 2.122 20 5 EEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC001592913899 1404729602 /nfs/dbraw/zinc/72/96/02/1404729602.db2.gz SFWRLXKQSUQVPI-UHFFFAOYSA-N -1 3 345.340 2.122 20 5 EEBDHM CC/C(C)=C/C(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091337018 790316607 /nfs/dbraw/zinc/31/66/07/790316607.db2.gz LXOLQGHCNTYRNP-AGYGCQASSA-N -1 3 334.376 2.358 20 5 EEBDHM CC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001091394555 790592368 /nfs/dbraw/zinc/59/23/68/790592368.db2.gz NSXZUVXEOQYMRW-PHIMTYICSA-N -1 3 334.376 2.192 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CCC(CC1)C2 ZINC001107579852 787736415 /nfs/dbraw/zinc/73/64/15/787736415.db2.gz GRTQECVQWPFORU-OWOJBTEDSA-N -1 3 346.387 2.360 20 5 EEBDHM CC1(NC(=O)C2CC=CC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001065070151 794170529 /nfs/dbraw/zinc/17/05/29/794170529.db2.gz QTQHDFDROBCLMA-UHFFFAOYSA-N -1 3 346.387 2.137 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1[nH]ccc1C1CC1 ZINC001094624510 796471410 /nfs/dbraw/zinc/47/14/10/796471410.db2.gz QIBWHZIDLRWTRK-UHFFFAOYSA-N -1 3 345.359 2.133 20 5 EEBDHM CCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001110303241 801192108 /nfs/dbraw/zinc/19/21/08/801192108.db2.gz GVVCMFCZMBIVQU-UHFFFAOYSA-N -1 3 334.376 2.336 20 5 EEBDHM CC(C)C(=O)N[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001066420114 802322089 /nfs/dbraw/zinc/32/20/89/802322089.db2.gz ABWKTQYVPDDJPN-HAQNSBGRSA-N -1 3 336.392 2.438 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccs1 ZINC001109359164 805358116 /nfs/dbraw/zinc/35/81/16/805358116.db2.gz YNFVWSXADAOTFH-UHFFFAOYSA-N -1 3 336.373 2.331 20 5 EEBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1c[nH]c(-c2nnn[n-]2)c1 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O=[N+]([O-])c1cc(F)cc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826498200 607877527 /nfs/dbraw/zinc/87/75/27/607877527.db2.gz LALIVRFVXRWCCV-AWEZNQCLSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498200 607877528 /nfs/dbraw/zinc/87/75/28/607877528.db2.gz LALIVRFVXRWCCV-AWEZNQCLSA-N -1 3 345.290 2.026 20 5 EEBDHM Cn1ncc2ccc(-c3noc(-c4c[n-]c(=O)c([N+](=O)[O-])c4)n3)cc21 ZINC001212844301 1204427604 /nfs/dbraw/zinc/42/76/04/1204427604.db2.gz NJAURQJBCSGESV-UHFFFAOYSA-N -1 3 338.283 2.299 20 5 EEBDHM CCC1(C(=O)NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001095442763 1205758640 /nfs/dbraw/zinc/75/86/40/1205758640.db2.gz LZPYAUNIXIUIGW-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM CCC(C)(C)CC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095646424 1205901759 /nfs/dbraw/zinc/90/17/59/1205901759.db2.gz ATUNCHQWUGEAFK-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM CCN(CCCNC(=O)c1ccc(C)o1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095822885 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334.376 2.289 20 5 EEBDHM O=C(CC1CCC1)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001068458169 1251099978 /nfs/dbraw/zinc/09/99/78/1251099978.db2.gz WDOZELDKJJEXNK-HAQNSBGRSA-N -1 3 334.376 2.192 20 5 EEBDHM Cc1cocc1C(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001068561320 1251309604 /nfs/dbraw/zinc/30/96/04/1251309604.db2.gz NYOINISPENHLPA-XYPYZODXSA-N -1 3 346.343 2.217 20 5 EEBDHM CCOC(=O)C(F)(F)[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692694 1301931802 /nfs/dbraw/zinc/93/18/02/1301931802.db2.gz ANVRMDMVIDEBHF-QMMMGPOBSA-N -1 3 344.274 2.222 20 5 EEBDHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000782178831 1303981264 /nfs/dbraw/zinc/98/12/64/1303981264.db2.gz JPYQLAZWYQEVRZ-LCYFTJDESA-N -1 3 339.307 2.326 20 5 EEBDHM CCc1nc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)co1 ZINC000832478611 1314678348 /nfs/dbraw/zinc/67/83/48/1314678348.db2.gz OPUQTHNDPOCGMH-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001307176062 1331515016 /nfs/dbraw/zinc/51/50/16/1331515016.db2.gz OTRRGNUPDMMOFF-VIFPVBQESA-N -1 3 347.762 2.142 20 5 EEBDHM C[C@@]12CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC001609151950 1351864599 /nfs/dbraw/zinc/86/45/99/1351864599.db2.gz QZSBPKIBNHOQSM-WCQYABFASA-N -1 3 336.302 2.256 20 5 EEBDHM C[C@@]12CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC001609151950 1351864603 /nfs/dbraw/zinc/86/46/03/1351864603.db2.gz QZSBPKIBNHOQSM-WCQYABFASA-N -1 3 336.302 2.256 20 5 EEBDHM CS[C@H]1CCCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609370100 1351948632 /nfs/dbraw/zinc/94/86/32/1351948632.db2.gz VAOKWXHRYBTEOL-JTQLQIEISA-N -1 3 334.405 2.497 20 5 EEBDHM CS[C@H]1CCCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609370100 1351948636 /nfs/dbraw/zinc/94/86/36/1351948636.db2.gz VAOKWXHRYBTEOL-JTQLQIEISA-N -1 3 334.405 2.497 20 5 EEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1F ZINC001609413258 1351966834 /nfs/dbraw/zinc/96/68/34/1351966834.db2.gz PCHYJBARRVDRJI-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1F ZINC001609413258 1351966835 /nfs/dbraw/zinc/96/68/35/1351966835.db2.gz PCHYJBARRVDRJI-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cccc(CN(C)c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001609431401 1351974499 /nfs/dbraw/zinc/97/44/99/1351974499.db2.gz FGESDEIPYRRQIA-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM Cc1cccc(CN(C)c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001609431401 1351974500 /nfs/dbraw/zinc/97/45/00/1351974500.db2.gz FGESDEIPYRRQIA-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM CCN(CCNC(=O)CC(C)=C(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100687434 1338642310 /nfs/dbraw/zinc/64/23/10/1338642310.db2.gz WBIZMXQPGWERPN-UHFFFAOYSA-N -1 3 336.392 2.384 20 5 EEBDHM C[C@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001575468693 1343801528 /nfs/dbraw/zinc/80/15/28/1343801528.db2.gz FBBWUYLVVVKMDJ-INIZCTEOSA-N -1 3 340.343 2.095 20 5 EEBDHM C[C@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001575468693 1343801530 /nfs/dbraw/zinc/80/15/30/1343801530.db2.gz FBBWUYLVVVKMDJ-INIZCTEOSA-N -1 3 340.343 2.095 20 5 EEBDHM C=Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001588733989 1348931326 /nfs/dbraw/zinc/93/13/26/1348931326.db2.gz NHBWRQKVNLTIFI-UHFFFAOYSA-N -1 3 337.343 2.468 20 5 EEBDHM C=Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001588733989 1348931329 /nfs/dbraw/zinc/93/13/29/1348931329.db2.gz NHBWRQKVNLTIFI-UHFFFAOYSA-N -1 3 337.343 2.468 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001589104142 1348959405 /nfs/dbraw/zinc/95/94/05/1348959405.db2.gz AOFSNBVNZWHDTI-GXTWGEPZSA-N -1 3 346.391 2.008 20 5 EEBDHM C[C@@H](O)[C@@H](C)Sc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589994406 1349097558 /nfs/dbraw/zinc/09/75/58/1349097558.db2.gz FVWHKCDGSAEHEV-HTQZYQBOSA-N -1 3 346.372 2.185 20 5 EEBDHM C[C@@H](O)[C@@H](C)Sc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589994406 1349097562 /nfs/dbraw/zinc/09/75/62/1349097562.db2.gz FVWHKCDGSAEHEV-HTQZYQBOSA-N -1 3 346.372 2.185 20 5 EEBDHM CC1(C)CCC[C@]1(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590096614 1349153403 /nfs/dbraw/zinc/15/34/03/1349153403.db2.gz IDNGDQNGIYCFTL-HNNXBMFYSA-N -1 3 332.364 2.128 20 5 EEBDHM CC1(C)CCC[C@]1(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590096614 1349153422 /nfs/dbraw/zinc/15/34/22/1349153422.db2.gz IDNGDQNGIYCFTL-HNNXBMFYSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593479285 1349811526 /nfs/dbraw/zinc/81/15/26/1349811526.db2.gz WKTGOGMYHJECIJ-NHYWBVRUSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](C2CCC2)[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593479285 1349811530 /nfs/dbraw/zinc/81/15/30/1349811530.db2.gz WKTGOGMYHJECIJ-NHYWBVRUSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC[C@]3(CC3(F)F)C2)c(-c2nnn[n-]2)c1 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348.380 2.185 20 5 EEBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2C2CC2)cc([N+](=O)[O-])c1 ZINC000340510633 466143942 /nfs/dbraw/zinc/14/39/42/466143942.db2.gz HZROKXGAPIFXDG-UHFFFAOYSA-N -1 3 331.284 2.499 20 5 EEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000340963309 466470955 /nfs/dbraw/zinc/47/09/55/466470955.db2.gz FTRMJGZMXLCTQW-UHFFFAOYSA-N -1 3 343.405 2.382 20 5 EEBDHM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354486996 466601179 /nfs/dbraw/zinc/60/11/79/466601179.db2.gz DGHXBCVLDVJUDM-ARJAWSKDSA-N -1 3 332.301 2.185 20 5 EEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2noc3ccccc32)cc1 ZINC000347394297 466607847 /nfs/dbraw/zinc/60/78/47/466607847.db2.gz XSQXYOIOVQJWPB-UHFFFAOYSA-N -1 3 347.352 2.356 20 5 EEBDHM O=C([O-])c1ccnc(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000381183984 467373906 /nfs/dbraw/zinc/37/39/06/467373906.db2.gz LFYBGIGTDPUMEI-CYBMUJFWSA-N -1 3 342.355 2.374 20 5 EEBDHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000514693232 467948779 /nfs/dbraw/zinc/94/87/79/467948779.db2.gz LUSZLXATCZBHBM-UHFFFAOYSA-N -1 3 338.283 2.305 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000601195110 468777680 /nfs/dbraw/zinc/77/76/80/468777680.db2.gz DGKZPNKLUPRDFK-MRVPVSSYSA-N -1 3 341.165 2.281 20 5 EEBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601387573 468854035 /nfs/dbraw/zinc/85/40/35/468854035.db2.gz YXBFNURNWWFIBD-ZWNOBZJWSA-N -1 3 346.380 2.136 20 5 EEBDHM CN(C)C(=O)c1cccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596143805 469174176 /nfs/dbraw/zinc/17/41/76/469174176.db2.gz AOWKPNYXHPGVRX-UHFFFAOYSA-N -1 3 330.344 2.052 20 5 EEBDHM O=c1[n-]ccc(N2CC(OCCCOc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596154576 469178339 /nfs/dbraw/zinc/17/83/39/469178339.db2.gz CBDANCFQIJDCEX-UHFFFAOYSA-N -1 3 345.355 2.370 20 5 EEBDHM CCC1(O)CCC([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000611314295 469226377 /nfs/dbraw/zinc/22/63/77/469226377.db2.gz LEVYZVXRFXIBNW-UHFFFAOYSA-N -1 3 342.417 2.265 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000599472602 469268568 /nfs/dbraw/zinc/26/85/68/469268568.db2.gz ZUIZNFWIJZNDJU-UHFFFAOYSA-N -1 3 332.403 2.002 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)ccc1[N+](=O)[O-] ZINC000611567038 469281265 /nfs/dbraw/zinc/28/12/65/469281265.db2.gz MSSGELPPSCXNHL-UHFFFAOYSA-N -1 3 341.776 2.483 20 5 EEBDHM CCC1(O)CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000613481849 469720537 /nfs/dbraw/zinc/72/05/37/469720537.db2.gz KAEFULONYOBPTB-UHFFFAOYSA-N -1 3 348.446 2.327 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000738374313 578011562 /nfs/dbraw/zinc/01/15/62/578011562.db2.gz NLKMGJIWIMYXGN-UHFFFAOYSA-N -1 3 347.285 2.103 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000738374313 578011563 /nfs/dbraw/zinc/01/15/63/578011563.db2.gz NLKMGJIWIMYXGN-UHFFFAOYSA-N -1 3 347.285 2.103 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000771823685 577232794 /nfs/dbraw/zinc/23/27/94/577232794.db2.gz YNHBORLMYFKSHQ-ZDUSSCGKSA-N -1 3 348.808 2.404 20 5 EEBDHM C[C@]1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000768899336 577565313 /nfs/dbraw/zinc/56/53/13/577565313.db2.gz KKOZGVREPADOMO-CHWSQXEVSA-N -1 3 346.430 2.140 20 5 EEBDHM O=C([N-]c1ncnn1-c1ccccc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000752924268 577778400 /nfs/dbraw/zinc/77/84/00/577778400.db2.gz GBSVMJCUOWOSGZ-UHFFFAOYSA-N -1 3 345.265 2.128 20 5 EEBDHM C[C@H](c1ccccn1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736200253 578186785 /nfs/dbraw/zinc/18/67/85/578186785.db2.gz DHNNWXXVGJXIFB-SNVBAGLBSA-N -1 3 325.332 2.367 20 5 EEBDHM C[C@H](c1ccccn1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736200253 578186786 /nfs/dbraw/zinc/18/67/86/578186786.db2.gz DHNNWXXVGJXIFB-SNVBAGLBSA-N -1 3 325.332 2.367 20 5 EEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508058 578209376 /nfs/dbraw/zinc/20/93/76/578209376.db2.gz IYJKCRINNFUXJQ-UHFFFAOYSA-N -1 3 338.327 2.442 20 5 EEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508058 578209377 /nfs/dbraw/zinc/20/93/77/578209377.db2.gz IYJKCRINNFUXJQ-UHFFFAOYSA-N -1 3 338.327 2.442 20 5 EEBDHM CO[C@]1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678803 599688428 /nfs/dbraw/zinc/68/84/28/599688428.db2.gz SHGSJTHCQTUNCB-SWLSCSKDSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@]1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678803 599688429 /nfs/dbraw/zinc/68/84/29/599688429.db2.gz SHGSJTHCQTUNCB-SWLSCSKDSA-N -1 3 332.364 2.390 20 5 EEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823299036 606496009 /nfs/dbraw/zinc/49/60/09/606496009.db2.gz DQVAGBBIKHQBDH-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823114793 607248127 /nfs/dbraw/zinc/24/81/27/607248127.db2.gz FGODKPHRSADEHK-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823114793 607248128 /nfs/dbraw/zinc/24/81/28/607248128.db2.gz FGODKPHRSADEHK-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001059554598 687061580 /nfs/dbraw/zinc/06/15/80/687061580.db2.gz SEWFSIUWBUPBGE-TXEJJXNPSA-N -1 3 342.355 2.377 20 5 EEBDHM Cc1c(CNC(=O)c2cc3c(cc2[O-])OCO3)cccc1[N+](=O)[O-] ZINC000436892123 1189957248 /nfs/dbraw/zinc/95/72/48/1189957248.db2.gz ZPSHLYQPVKXVDM-UHFFFAOYSA-N -1 3 330.296 2.268 20 5 EEBDHM O=C(CCC1CCC1)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095401387 1204889208 /nfs/dbraw/zinc/88/92/08/1204889208.db2.gz ROQFDOVAUIDFBS-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM CCN(CCCNC(=O)c1coc(C)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095875982 1211636630 /nfs/dbraw/zinc/63/66/30/1211636630.db2.gz VHLOZLDNVMKNMF-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000796208476 1215515158 /nfs/dbraw/zinc/51/51/58/1215515158.db2.gz OQTKQPJFCDNIIY-UHFFFAOYSA-N -1 3 335.700 2.187 20 5 EEBDHM CC1(C(=O)NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC=CC1 ZINC001057942296 1248150378 /nfs/dbraw/zinc/15/03/78/1248150378.db2.gz ZUENQBBGBLMVRT-UHFFFAOYSA-N -1 3 346.387 2.137 20 5 EEBDHM CC(C)[C@@H](CO)O[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861907218 1295594451 /nfs/dbraw/zinc/59/44/51/1295594451.db2.gz KVWWYXBTPSKWDD-SNVBAGLBSA-N -1 3 347.165 2.036 20 5 EEBDHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1cccc2nc3ccccc3nc21 ZINC001153863222 1316903847 /nfs/dbraw/zinc/90/38/47/1316903847.db2.gz MEGJEVUAUGEPHQ-UHFFFAOYSA-N -1 3 341.334 2.075 20 5 EEBDHM CC[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309783994 1331641466 /nfs/dbraw/zinc/64/14/66/1331641466.db2.gz BQVJEAQZICXUNI-WCBMZHEXSA-N -1 3 336.797 2.076 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC001609147175 1351861862 /nfs/dbraw/zinc/86/18/62/1351861862.db2.gz NKLGRLRHXOYDMV-ZIAGYGMSSA-N -1 3 344.375 2.169 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC001609147175 1351861866 /nfs/dbraw/zinc/86/18/66/1351861866.db2.gz NKLGRLRHXOYDMV-ZIAGYGMSSA-N -1 3 344.375 2.169 20 5 EEBDHM CCc1cnc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001609253611 1351910471 /nfs/dbraw/zinc/91/04/71/1351910471.db2.gz AXGVDDONQZHGKB-UHFFFAOYSA-N -1 3 345.388 2.430 20 5 EEBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC001609281688 1351921271 /nfs/dbraw/zinc/92/12/71/1351921271.db2.gz XTWBGUQKTFFJSH-UHFFFAOYSA-N -1 3 336.355 2.379 20 5 EEBDHM COC[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609319522 1351932282 /nfs/dbraw/zinc/93/22/82/1351932282.db2.gz FIWHZWIHFVEFBF-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM COc1cc(CNc2nccc(C)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001609345583 1351939977 /nfs/dbraw/zinc/93/99/77/1351939977.db2.gz OMUWUGISQCTYAC-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1cc(CNc2nccc(C)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001609345583 1351939979 /nfs/dbraw/zinc/93/99/79/1351939979.db2.gz OMUWUGISQCTYAC-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCNc1ccccc1 ZINC001609601744 1352031512 /nfs/dbraw/zinc/03/15/12/1352031512.db2.gz XXJIPSARSAVQOX-UHFFFAOYSA-N -1 3 325.332 2.299 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCNc1ccccc1 ZINC001609601744 1352031516 /nfs/dbraw/zinc/03/15/16/1352031516.db2.gz XXJIPSARSAVQOX-UHFFFAOYSA-N -1 3 325.332 2.299 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)CCc1c(C)nc[n-]c1=O ZINC001337347340 1336687327 /nfs/dbraw/zinc/68/73/27/1336687327.db2.gz XRLHTISHMVFOEP-UHFFFAOYSA-N -1 3 347.327 2.083 20 5 EEBDHM COc1cc(C[NH2+][C@H](C)[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001345635373 1337454888 /nfs/dbraw/zinc/45/48/88/1337454888.db2.gz MTIVDVMUIAKEAF-OTYXRUKQSA-N -1 3 326.349 2.144 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589105107 1348960906 /nfs/dbraw/zinc/96/09/06/1348960906.db2.gz PHAGLRICUAZVET-AWEZNQCLSA-N -1 3 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RRXBKNKTSPVFGN-INIZCTEOSA-N -1 3 328.324 2.445 20 5 EEBDHM O=c1cc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)nc(C2CC2)[n-]1 ZINC001307406922 1331535622 /nfs/dbraw/zinc/53/56/22/1331535622.db2.gz CQBGVCBONWEGCA-UHFFFAOYSA-N -1 3 345.311 2.318 20 5 EEBDHM O=C([O-])C1([C@]2(O)CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001608568190 1351717975 /nfs/dbraw/zinc/71/79/75/1351717975.db2.gz MFQGFXSWVUZNAR-KRWDZBQOSA-N -1 3 334.372 2.177 20 5 EEBDHM CO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C12CCC2 ZINC001609313228 1351929486 /nfs/dbraw/zinc/92/94/86/1351929486.db2.gz GKHPGGMPYCFDRW-OLZOCXBDSA-N -1 3 330.348 2.144 20 5 EEBDHM CO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C12CCC2 ZINC001609313228 1351929489 /nfs/dbraw/zinc/92/94/89/1351929489.db2.gz GKHPGGMPYCFDRW-OLZOCXBDSA-N -1 3 330.348 2.144 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1-c1nnn[n-]1 ZINC001609591558 1352028808 /nfs/dbraw/zinc/02/88/08/1352028808.db2.gz JKCLBJDZBRNQCX-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1-c1nn[n-]n1 ZINC001609591558 1352028813 /nfs/dbraw/zinc/02/88/13/1352028813.db2.gz JKCLBJDZBRNQCX-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCOC[C@H]2CC2CCC2)ccc1-c1nnn[n-]1 ZINC001609601468 1352030644 /nfs/dbraw/zinc/03/06/44/1352030644.db2.gz YEZKQRFMBQZXHE-CYBMUJFWSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC(C2CCCCC2)C1 ZINC001609600343 1352030997 /nfs/dbraw/zinc/03/09/97/1352030997.db2.gz DYVRKNGXAATQFB-UHFFFAOYSA-N -1 3 329.364 2.186 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC(C2CCCCC2)C1 ZINC001609600343 1352030999 /nfs/dbraw/zinc/03/09/99/1352030999.db2.gz DYVRKNGXAATQFB-UHFFFAOYSA-N -1 3 329.364 2.186 20 5 EEBDHM CC(C)(C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589119751 1348961589 /nfs/dbraw/zinc/96/15/89/1348961589.db2.gz YAOXFKXCXZFXMH-JTQLQIEISA-N -1 3 331.380 2.432 20 5 EEBDHM CC(C)(C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589119751 1348961593 /nfs/dbraw/zinc/96/15/93/1348961593.db2.gz YAOXFKXCXZFXMH-JTQLQIEISA-N -1 3 331.380 2.432 20 5 EEBDHM CN(C)c1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001591034769 1349433634 /nfs/dbraw/zinc/43/36/34/1349433634.db2.gz NDJIMMNBHJFDCA-UHFFFAOYSA-N -1 3 339.359 2.453 20 5 EEBDHM CN(C)c1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001591034769 1349433635 /nfs/dbraw/zinc/43/36/35/1349433635.db2.gz NDJIMMNBHJFDCA-UHFFFAOYSA-N -1 3 339.359 2.453 20 5 EEBDHM Cc1cc(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)cc([N+](=O)[O-])c1 ZINC001592031651 1349584714 /nfs/dbraw/zinc/58/47/14/1349584714.db2.gz NGDRQSIUBCEHJG-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)cc([N+](=O)[O-])c1 ZINC001592031651 1349584719 /nfs/dbraw/zinc/58/47/19/1349584719.db2.gz NGDRQSIUBCEHJG-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc(-c2nnn[n-]2)c1 ZINC001592031795 1349585333 /nfs/dbraw/zinc/58/53/33/1349585333.db2.gz QBCRNWFFWFSJEH-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc(-c2nn[n-]n2)c1 ZINC001592031795 1349585341 /nfs/dbraw/zinc/58/53/41/1349585341.db2.gz QBCRNWFFWFSJEH-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1csc(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592313957 1349619556 /nfs/dbraw/zinc/61/95/56/1349619556.db2.gz AFCKLKMBEHABFE-UHFFFAOYSA-N -1 3 349.351 2.334 20 5 EEBDHM Cc1csc(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592313957 1349619559 /nfs/dbraw/zinc/61/95/59/1349619559.db2.gz AFCKLKMBEHABFE-UHFFFAOYSA-N -1 3 349.351 2.334 20 5 EEBDHM Cn1cc([N+](=O)[O-])c(Sc2cccc(-c3nnn[n-]3)c2Cl)n1 ZINC001592577416 1349660981 /nfs/dbraw/zinc/66/09/81/1349660981.db2.gz BQZJMDOGJJROFS-UHFFFAOYSA-N -1 3 337.752 2.313 20 5 EEBDHM Cn1cc([N+](=O)[O-])c(Sc2cccc(-c3nn[n-]n3)c2Cl)n1 ZINC001592577416 1349660983 /nfs/dbraw/zinc/66/09/83/1349660983.db2.gz BQZJMDOGJJROFS-UHFFFAOYSA-N -1 3 337.752 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2CC3(CCC3)CO2)c(-c2nnn[n-]2)c1 ZINC001593478633 1349812104 /nfs/dbraw/zinc/81/21/04/1349812104.db2.gz XFHNJKPFYGAGPU-LLVKDONJSA-N -1 3 330.348 2.146 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2CC3(CCC3)CO2)c(-c2nn[n-]n2)c1 ZINC001593478633 1349812107 /nfs/dbraw/zinc/81/21/07/1349812107.db2.gz XFHNJKPFYGAGPU-LLVKDONJSA-N -1 3 330.348 2.146 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001603066279 1350630831 /nfs/dbraw/zinc/63/08/31/1350630831.db2.gz SPHXMEMLYHYPNF-CQSZACIVSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001603066279 1350630835 /nfs/dbraw/zinc/63/08/35/1350630835.db2.gz SPHXMEMLYHYPNF-CQSZACIVSA-N -1 3 346.391 2.416 20 5 EEBDHM COCCC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001605081295 1351074453 /nfs/dbraw/zinc/07/44/53/1351074453.db2.gz ZXOFJUPKOHSDSY-UHFFFAOYSA-N -1 3 332.364 2.028 20 5 EEBDHM Cc1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])no1 ZINC001605652580 1351210639 /nfs/dbraw/zinc/21/06/39/1351210639.db2.gz MKDHEGDNRSNTRA-LBPRGKRZSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])no1 ZINC001605652580 1351210642 /nfs/dbraw/zinc/21/06/42/1351210642.db2.gz MKDHEGDNRSNTRA-LBPRGKRZSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc([C@@H]2CCCN2c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])no1 ZINC001605653111 1351210676 /nfs/dbraw/zinc/21/06/76/1351210676.db2.gz ZKRNSZYZWGEZIX-LBPRGKRZSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc([C@@H]2CCCN2c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])no1 ZINC001605653111 1351210679 /nfs/dbraw/zinc/21/06/79/1351210679.db2.gz ZKRNSZYZWGEZIX-LBPRGKRZSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc(OC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001605747559 1351221262 /nfs/dbraw/zinc/22/12/62/1351221262.db2.gz NJQLVCVYZAVZGR-HNNXBMFYSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cccc(NCCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001605919798 1351253799 /nfs/dbraw/zinc/25/37/99/1351253799.db2.gz PXCDFYYAUYWKRG-UHFFFAOYSA-N -1 3 346.376 2.064 20 5 EEBDHM Cc1cccc(NCCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001605919798 1351253804 /nfs/dbraw/zinc/25/38/04/1351253804.db2.gz PXCDFYYAUYWKRG-UHFFFAOYSA-N -1 3 346.376 2.064 20 5 EEBDHM Cc1ccncc1[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605960368 1351259692 /nfs/dbraw/zinc/25/96/92/1351259692.db2.gz SAFVHYLSFGYQIB-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1ccncc1[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605960368 1351259694 /nfs/dbraw/zinc/25/96/94/1351259694.db2.gz SAFVHYLSFGYQIB-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001606986951 1351392815 /nfs/dbraw/zinc/39/28/15/1351392815.db2.gz FEAGGEJTPGDMRD-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001606986951 1351392816 /nfs/dbraw/zinc/39/28/16/1351392816.db2.gz FEAGGEJTPGDMRD-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM C/C=C(/C)C(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110580483 1368936291 /nfs/dbraw/zinc/93/62/91/1368936291.db2.gz JWSFEEXHSVVIRX-WCIBSUBMSA-N -1 3 334.376 2.137 20 5 EEBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000836854017 1372754011 /nfs/dbraw/zinc/75/40/11/1372754011.db2.gz GVQQNGXEGGTQCP-UHFFFAOYSA-N -1 3 348.319 2.309 20 5 EEBDHM Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)ccc1-c1nnn[n-]1 ZINC001591977901 1403977650 /nfs/dbraw/zinc/97/76/50/1403977650.db2.gz OHAICHFNZHGRTC-UHFFFAOYSA-N -1 3 325.332 2.206 20 5 EEBDHM Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)ccc1-c1nn[n-]n1 ZINC001591977901 1403977653 /nfs/dbraw/zinc/97/76/53/1403977653.db2.gz OHAICHFNZHGRTC-UHFFFAOYSA-N -1 3 325.332 2.206 20 5 EEBDHM Cc1cc(N2CCOCC3(CCC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008524 1403983458 /nfs/dbraw/zinc/98/34/58/1403983458.db2.gz IBFWYRSZDDSEDL-UHFFFAOYSA-N -1 3 344.375 2.090 20 5 EEBDHM Cc1cc(N2CCOCC3(CCC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592008524 1403983463 /nfs/dbraw/zinc/98/34/63/1403983463.db2.gz IBFWYRSZDDSEDL-UHFFFAOYSA-N -1 3 344.375 2.090 20 5 EEBDHM C/C=C(/C)C(=O)N1CCC(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001062212509 787635936 /nfs/dbraw/zinc/63/59/36/787635936.db2.gz NRBJBYKYMDJVRZ-QCDXTXTGSA-N -1 3 348.403 2.336 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC000824078728 788042654 /nfs/dbraw/zinc/04/26/54/788042654.db2.gz KANFZRYLVPLMCR-BXUZGUMPSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC000824078728 788042659 /nfs/dbraw/zinc/04/26/59/788042659.db2.gz KANFZRYLVPLMCR-BXUZGUMPSA-N -1 3 346.391 2.008 20 5 EEBDHM CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1[O-] ZINC001106695186 796109934 /nfs/dbraw/zinc/10/99/34/796109934.db2.gz QVKZQMUKFKEDGT-UHFFFAOYSA-N -1 3 330.344 2.270 20 5 EEBDHM Cc1nc(NC2(CNC(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC001110075933 806499833 /nfs/dbraw/zinc/49/98/33/806499833.db2.gz WBUSCGRZPPOHHZ-UHFFFAOYSA-N -1 3 342.355 2.378 20 5 EEBDHM Cc1c(C(=O)NCc2ncccc2[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000792616914 809868655 /nfs/dbraw/zinc/86/86/55/809868655.db2.gz ZRGLXTSRYMZCIE-UHFFFAOYSA-N -1 3 346.299 2.150 20 5 EEBDHM Cn1ncc(C(=O)[O-])c1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001605549629 973761560 /nfs/dbraw/zinc/76/15/60/973761560.db2.gz DYDQYOYCSKJHJL-CYBMUJFWSA-N -1 3 344.371 2.406 20 5 EEBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000067879524 201160593 /nfs/dbraw/zinc/16/05/93/201160593.db2.gz IAUMRCYFMBKDTB-UHFFFAOYSA-N -1 3 345.764 2.332 20 5 EEBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000262308230 201202831 /nfs/dbraw/zinc/20/28/31/201202831.db2.gz YNOQMNVRMHAAHS-LNSITVRQSA-N -1 3 347.371 2.251 20 5 EEBDHM Cc1cnn(C[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426727380 241332782 /nfs/dbraw/zinc/33/27/82/241332782.db2.gz OKILWQUDWKUTSG-OAHLLOKOSA-N -1 3 346.387 2.466 20 5 EEBDHM CCCSC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426772124 241337728 /nfs/dbraw/zinc/33/77/28/241337728.db2.gz BVNBZBMCEKTHGC-LLVKDONJSA-N -1 3 328.390 2.289 20 5 EEBDHM COc1cc(CNC[C@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1[O-] ZINC000077460405 203388994 /nfs/dbraw/zinc/38/89/94/203388994.db2.gz LNYWNPWGZWZZJE-HNNXBMFYSA-N -1 3 338.385 2.368 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)SC ZINC000266445573 248305011 /nfs/dbraw/zinc/30/50/11/248305011.db2.gz MXSVXXCDMQAYGB-UHFFFAOYSA-N -1 3 334.419 2.023 20 5 EEBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190186925 533430110 /nfs/dbraw/zinc/43/01/10/533430110.db2.gz YCKNPNVRUKJGPQ-VXGBXAGGSA-N -1 3 328.390 2.057 20 5 EEBDHM C[S@](=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000173089283 152142061 /nfs/dbraw/zinc/14/20/61/152142061.db2.gz HCJDHUCOQOGWDZ-DEOSSOPVSA-N -1 3 344.352 2.461 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000104366722 159285429 /nfs/dbraw/zinc/28/54/29/159285429.db2.gz FSFDJAMNAZNLHU-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000104366722 159285430 /nfs/dbraw/zinc/28/54/30/159285430.db2.gz FSFDJAMNAZNLHU-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121003894 159398332 /nfs/dbraw/zinc/39/83/32/159398332.db2.gz FBRQBTDAQOVTML-JSGCOSHPSA-N -1 3 342.417 2.448 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c([N+](=O)[O-])c1 ZINC000343962521 161184971 /nfs/dbraw/zinc/18/49/71/161184971.db2.gz CEWYQCCGUBOZEU-LLVKDONJSA-N -1 3 346.430 2.167 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000344051637 161193806 /nfs/dbraw/zinc/19/38/06/161193806.db2.gz LEKGEBWPXXCCCU-LLVKDONJSA-N -1 3 330.431 2.467 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(C)C ZINC000345265191 161286537 /nfs/dbraw/zinc/28/65/37/161286537.db2.gz UQPPNPYRXDADEF-LBPRGKRZSA-N -1 3 344.389 2.094 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)C ZINC000345452656 161302845 /nfs/dbraw/zinc/30/28/45/161302845.db2.gz HGGBKTJNEIFHPO-UHFFFAOYSA-N -1 3 344.389 2.096 20 5 EEBDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352346908 162097399 /nfs/dbraw/zinc/09/73/99/162097399.db2.gz UBSBFUOCASVBPZ-XVKPBYJWSA-N -1 3 336.822 2.278 20 5 EEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](c1ccccc1)N(C)C ZINC000356256818 163382539 /nfs/dbraw/zinc/38/25/39/163382539.db2.gz TZBBLNDMVNPDQQ-ABAIWWIYSA-N -1 3 344.371 2.117 20 5 EEBDHM Cn1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)ccc1[N+](=O)[O-] ZINC000359278371 164102026 /nfs/dbraw/zinc/10/20/26/164102026.db2.gz ODDCKLHVGIDAPQ-UHFFFAOYSA-N -1 3 348.269 2.249 20 5 EEBDHM Cn1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)ccc1[N+](=O)[O-] ZINC000359278371 164102027 /nfs/dbraw/zinc/10/20/27/164102027.db2.gz ODDCKLHVGIDAPQ-UHFFFAOYSA-N -1 3 348.269 2.249 20 5 EEBDHM Cn1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)ccc1[N+](=O)[O-] ZINC000359278371 164102028 /nfs/dbraw/zinc/10/20/28/164102028.db2.gz ODDCKLHVGIDAPQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/87/31/21/607873121.db2.gz CJRXLHIIJVIIEJ-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272296 607873122 /nfs/dbraw/zinc/87/31/22/607873122.db2.gz CJRXLHIIJVIIEJ-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826498201 607877705 /nfs/dbraw/zinc/87/77/05/607877705.db2.gz LALIVRFVXRWCCV-CQSZACIVSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498201 607877706 /nfs/dbraw/zinc/87/77/06/607877706.db2.gz LALIVRFVXRWCCV-CQSZACIVSA-N -1 3 345.290 2.026 20 5 EEBDHM CC1=CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824860859 607903924 /nfs/dbraw/zinc/90/39/24/607903924.db2.gz YKJKSMAFJAAYMB-UHFFFAOYSA-N -1 3 337.343 2.480 20 5 EEBDHM CC1=CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824860859 607903925 /nfs/dbraw/zinc/90/39/25/607903925.db2.gz YKJKSMAFJAAYMB-UHFFFAOYSA-N -1 3 337.343 2.480 20 5 EEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc([N+](=O)[O-])o1 ZINC000825782364 607976004 /nfs/dbraw/zinc/97/60/04/607976004.db2.gz FITVCSUMPVTVKM-UHFFFAOYSA-N -1 3 325.288 2.405 20 5 EEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])o1 ZINC000825782364 607976005 /nfs/dbraw/zinc/97/60/05/607976005.db2.gz FITVCSUMPVTVKM-UHFFFAOYSA-N -1 3 325.288 2.405 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CC=CC1 ZINC000826450222 608164332 /nfs/dbraw/zinc/16/43/32/608164332.db2.gz BPTBULOXIZKNFB-UHFFFAOYSA-N -1 3 334.723 2.333 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CC=CC1 ZINC000826450222 608164333 /nfs/dbraw/zinc/16/43/33/608164333.db2.gz BPTBULOXIZKNFB-UHFFFAOYSA-N -1 3 334.723 2.333 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CC=C(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826500709 608585240 /nfs/dbraw/zinc/58/52/40/608585240.db2.gz JDLIJLLMWDNHNC-UHFFFAOYSA-N -1 3 335.327 2.074 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CC=C(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826500709 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COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000782178832 1303981379 /nfs/dbraw/zinc/98/13/79/1303981379.db2.gz JPYQLAZWYQEVRZ-UKTHLTGXSA-N -1 3 339.307 2.326 20 5 EEBDHM CC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCC2)CCC1 ZINC001111885952 1304050609 /nfs/dbraw/zinc/05/06/09/1304050609.db2.gz JUAHVXUGWXTYNA-UHFFFAOYSA-N -1 3 334.376 2.336 20 5 EEBDHM CCC(=O)NCc1ccc2c(c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001112269389 1304389084 /nfs/dbraw/zinc/38/90/84/1304389084.db2.gz MUMFDSIASUOWGK-UHFFFAOYSA-N -1 3 342.355 2.242 20 5 EEBDHM COCCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CC[C@H](C)C1 ZINC001591429583 1349483657 /nfs/dbraw/zinc/48/36/57/1349483657.db2.gz YEWSTFBXCATKMM-NWDGAFQWSA-N -1 3 346.391 2.416 20 5 EEBDHM COCCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[C@H](C)C1 ZINC001591429583 1349483659 /nfs/dbraw/zinc/48/36/59/1349483659.db2.gz YEWSTFBXCATKMM-NWDGAFQWSA-N -1 3 346.391 2.416 20 5 EEBDHM O=c1cc([C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)[n-][nH]1 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EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ncccn1)C1CC1 ZINC001582803490 1344792777 /nfs/dbraw/zinc/79/27/77/1344792777.db2.gz JQJAAJOYGJSAEU-ZDUSSCGKSA-N -1 3 338.331 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ncccn1)C1CC1 ZINC001582803490 1344792781 /nfs/dbraw/zinc/79/27/81/1344792781.db2.gz JQJAAJOYGJSAEU-ZDUSSCGKSA-N -1 3 338.331 2.128 20 5 EEBDHM C[C@H]1CC(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590191171 1349193095 /nfs/dbraw/zinc/19/30/95/1349193095.db2.gz UOCMRBWLFKZRSZ-UWVGGRQHSA-N -1 3 347.379 2.176 20 5 EEBDHM C[C@H]1CC(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590191171 1349193098 /nfs/dbraw/zinc/19/30/98/1349193098.db2.gz UOCMRBWLFKZRSZ-UWVGGRQHSA-N -1 3 347.379 2.176 20 5 EEBDHM CCc1nc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cs1 ZINC001590913891 1349410778 /nfs/dbraw/zinc/41/07/78/1349410778.db2.gz NLWOKCJISGFOCJ-UHFFFAOYSA-N -1 3 331.361 2.406 20 5 EEBDHM CCc1nnc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])o1 ZINC001590933074 1349420038 /nfs/dbraw/zinc/42/00/38/1349420038.db2.gz FNQNJNORYQTFLP-UHFFFAOYSA-N -1 3 333.333 2.013 20 5 EEBDHM CCc1nnc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])o1 ZINC001590933074 1349420045 /nfs/dbraw/zinc/42/00/45/1349420045.db2.gz FNQNJNORYQTFLP-UHFFFAOYSA-N -1 3 333.333 2.013 20 5 EEBDHM CN(CC1(O)CCCCCC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591050515 1349435738 /nfs/dbraw/zinc/43/57/38/1349435738.db2.gz OMUPZLKAZXSJJC-UHFFFAOYSA-N -1 3 346.391 2.296 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(Sc2ccccc2O)c1-c1nnn[n-]1 ZINC001592758992 1349714020 /nfs/dbraw/zinc/71/40/20/1349714020.db2.gz NNODQGWUERMPIG-UHFFFAOYSA-N -1 3 330.329 2.214 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(Sc2ccccc2O)c1-c1nn[n-]n1 ZINC001592758992 1349714021 /nfs/dbraw/zinc/71/40/21/1349714021.db2.gz NNODQGWUERMPIG-UHFFFAOYSA-N -1 3 330.329 2.214 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@@H]1CCCCO1 ZINC001593468736 1349804289 /nfs/dbraw/zinc/80/42/89/1349804289.db2.gz OVWFSELMBIWAPP-VIFPVBQESA-N -1 3 336.327 2.285 20 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ZINC001593475645 1349808948 /nfs/dbraw/zinc/80/89/48/1349808948.db2.gz REAJRBFMUDWDIC-LLVKDONJSA-N -1 3 338.327 2.363 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1COc2ccccc21 ZINC001593475645 1349808952 /nfs/dbraw/zinc/80/89/52/1349808952.db2.gz REAJRBFMUDWDIC-LLVKDONJSA-N -1 3 338.327 2.363 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCO[C@H]1CCCCO1 ZINC001593475280 1349809777 /nfs/dbraw/zinc/80/97/77/1349809777.db2.gz NZDOEYFSWMAIGV-AWEZNQCLSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCO[C@H]1CCCCO1 ZINC001593475280 1349809779 /nfs/dbraw/zinc/80/97/79/1349809779.db2.gz NZDOEYFSWMAIGV-AWEZNQCLSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1cc(F)ccc1-c1nnn[n-]1)C2 ZINC001593479560 1349811476 /nfs/dbraw/zinc/81/14/76/1349811476.db2.gz KOTHNWYECNVBGE-UHFFFAOYSA-N -1 3 326.291 2.434 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1cc(F)ccc1-c1nn[n-]n1)C2 ZINC001593479560 1349811479 /nfs/dbraw/zinc/81/14/79/1349811479.db2.gz KOTHNWYECNVBGE-UHFFFAOYSA-N -1 3 326.291 2.434 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1(CO)CC2(CCC2)C1 ZINC001593480049 1349812829 /nfs/dbraw/zinc/81/28/29/1349812829.db2.gz DGGXHUCTNVSNBF-UHFFFAOYSA-N -1 3 344.375 2.130 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1(CO)CC2(CCC2)C1 ZINC001593480049 1349812835 /nfs/dbraw/zinc/81/28/35/1349812835.db2.gz DGGXHUCTNVSNBF-UHFFFAOYSA-N -1 3 344.375 2.130 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](OCC2CC2)C1 ZINC001593480126 1349813320 /nfs/dbraw/zinc/81/33/20/1349813320.db2.gz GJGADFSBQOXKNP-GFCCVEGCSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](OCC2CC2)C1 ZINC001593480126 1349813325 /nfs/dbraw/zinc/81/33/25/1349813325.db2.gz GJGADFSBQOXKNP-GFCCVEGCSA-N -1 3 344.375 2.170 20 5 EEBDHM O=C([O-])[C@H](Cc1cncs1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001601662638 1350331314 /nfs/dbraw/zinc/33/13/14/1350331314.db2.gz MPPCLWKJHDARQY-LBPRGKRZSA-N -1 3 341.776 2.490 20 5 EEBDHM O=C([O-])c1ccc(OC(=O)C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC001602387886 1350508256 /nfs/dbraw/zinc/50/82/56/1350508256.db2.gz IXZAWXNNROHJGQ-UHFFFAOYSA-N -1 3 334.328 2.073 20 5 EEBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668454 1350738383 /nfs/dbraw/zinc/73/83/83/1350738383.db2.gz VWNGWXUTBGHGFH-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668454 1350738386 /nfs/dbraw/zinc/73/83/86/1350738386.db2.gz VWNGWXUTBGHGFH-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603739304 1350756059 /nfs/dbraw/zinc/75/60/59/1350756059.db2.gz QDEMXIVHMJGXQP-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM C[C@@H](c1ccncc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603739304 1350756062 /nfs/dbraw/zinc/75/60/62/1350756062.db2.gz QDEMXIVHMJGXQP-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001605297859 1351129023 /nfs/dbraw/zinc/12/90/23/1351129023.db2.gz VERMVJPEDOSWAQ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001605297859 1351129026 /nfs/dbraw/zinc/12/90/26/1351129026.db2.gz VERMVJPEDOSWAQ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM Cc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001605913754 1351252560 /nfs/dbraw/zinc/25/25/60/1351252560.db2.gz XPUUTVUYVBZVIU-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001605913754 1351252563 /nfs/dbraw/zinc/25/25/63/1351252563.db2.gz XPUUTVUYVBZVIU-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001606910849 1351374655 /nfs/dbraw/zinc/37/46/55/1351374655.db2.gz KNCIJBFBQQXOMT-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001606910849 1351374658 /nfs/dbraw/zinc/37/46/58/1351374658.db2.gz KNCIJBFBQQXOMT-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2CC[C@H](C3CC3)O2)c(-c2nnn[n-]2)c1 ZINC001607082340 1351409925 /nfs/dbraw/zinc/40/99/25/1351409925.db2.gz OYVSCMVUGROMTF-BXUZGUMPSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2CC[C@H](C3CC3)O2)c(-c2nn[n-]n2)c1 ZINC001607082340 1351409927 /nfs/dbraw/zinc/40/99/27/1351409927.db2.gz OYVSCMVUGROMTF-BXUZGUMPSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(CO)c(F)c2)c(-c2nnn[n-]2)c1 ZINC001607081675 1351410404 /nfs/dbraw/zinc/41/04/04/1351410404.db2.gz HWRAIZMSGPQFKI-UHFFFAOYSA-N -1 3 344.306 2.018 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(CO)c(F)c2)c(-c2nn[n-]n2)c1 ZINC001607081675 1351410406 /nfs/dbraw/zinc/41/04/06/1351410406.db2.gz HWRAIZMSGPQFKI-UHFFFAOYSA-N -1 3 344.306 2.018 20 5 EEBDHM O=C(OCc1ccccc1)N1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853690150 1369368044 /nfs/dbraw/zinc/36/80/44/1369368044.db2.gz CKXSXYOWJIMPPA-UHFFFAOYSA-N -1 3 344.327 2.128 20 5 EEBDHM CCN(CCNC(=O)c1cc(C)oc1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100445037 1373043539 /nfs/dbraw/zinc/04/35/39/1373043539.db2.gz MSPFZIKOZIDXBT-UHFFFAOYSA-N -1 3 348.359 2.162 20 5 EEBDHM Cc1sccc1C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107161557 786172578 /nfs/dbraw/zinc/17/25/78/786172578.db2.gz KEPGUPZOUQZDFF-IHWYPQMZSA-N -1 3 348.384 2.463 20 5 EEBDHM Cc1cccc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001110041400 806438138 /nfs/dbraw/zinc/43/81/38/806438138.db2.gz USZQPCAWVYNHIX-UHFFFAOYSA-N -1 3 342.355 2.378 20 5 EEBDHM Cc1cc(C)c(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001109418666 805434826 /nfs/dbraw/zinc/43/48/26/805434826.db2.gz BGHHKAJJZQJPCE-UHFFFAOYSA-N -1 3 348.359 2.479 20 5 EEBDHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826209458 947611748 /nfs/dbraw/zinc/61/17/48/947611748.db2.gz CMVNWVCMPDBEKE-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826209458 947611755 /nfs/dbraw/zinc/61/17/55/947611755.db2.gz CMVNWVCMPDBEKE-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000236456565 960630963 /nfs/dbraw/zinc/63/09/63/960630963.db2.gz MQDJOCVWOQBRMY-LLVKDONJSA-N -1 3 329.150 2.310 20 5 EEBDHM Cn1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc2cccnc21 ZINC000356173640 282580975 /nfs/dbraw/zinc/58/09/75/282580975.db2.gz OMDFKYNGIWMYSN-UHFFFAOYSA-N -1 3 337.299 2.005 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCCOC(C)C ZINC000181847798 234349439 /nfs/dbraw/zinc/34/94/39/234349439.db2.gz RPXISUOEIPNXNN-UHFFFAOYSA-N -1 3 330.406 2.387 20 5 EEBDHM O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000491388994 246014266 /nfs/dbraw/zinc/01/42/66/246014266.db2.gz UQZJDZLSEQTSEN-WTKPLQERSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000491388994 246014269 /nfs/dbraw/zinc/01/42/69/246014269.db2.gz UQZJDZLSEQTSEN-WTKPLQERSA-N -1 3 336.311 2.427 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000491598218 246081929 /nfs/dbraw/zinc/08/19/29/246081929.db2.gz DLAOVPQCAMXTFU-QMMMGPOBSA-N -1 3 332.353 2.067 20 5 EEBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176681016 207250627 /nfs/dbraw/zinc/25/06/27/207250627.db2.gz CVRSKTWRMSHGFB-QMMMGPOBSA-N -1 3 336.797 2.117 20 5 EEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000273673084 256316947 /nfs/dbraw/zinc/31/69/47/256316947.db2.gz ZOWCSBFLGDTJNQ-QMMMGPOBSA-N -1 3 342.402 2.103 20 5 EEBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119175235 221259730 /nfs/dbraw/zinc/25/97/30/221259730.db2.gz CHTLARMPCSRABP-NHYWBVRUSA-N -1 3 344.433 2.287 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2O)c(Cl)c1 ZINC000317622592 296508786 /nfs/dbraw/zinc/50/87/86/296508786.db2.gz WRMHZFZTBQOJKH-NEPJUHHUSA-N -1 3 348.808 2.220 20 5 EEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119115555 292241428 /nfs/dbraw/zinc/24/14/28/292241428.db2.gz SRVVUZKTCVVKEK-AWEZNQCLSA-N -1 3 344.433 2.287 20 5 EEBDHM CCCCOCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119975332 159383974 /nfs/dbraw/zinc/38/39/74/159383974.db2.gz ICEOEEPYSUJIOY-UHFFFAOYSA-N -1 3 330.406 2.307 20 5 EEBDHM Cc1cncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000120921916 159396141 /nfs/dbraw/zinc/39/61/41/159396141.db2.gz PSAIZHXEKCEFHB-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM Cn1ccnc1-c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186973318 160088171 /nfs/dbraw/zinc/08/81/71/160088171.db2.gz VRYJELHHSZIPHM-UHFFFAOYSA-N -1 3 339.311 2.348 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[C@H]1CCCO1 ZINC000338724678 160798036 /nfs/dbraw/zinc/79/80/36/160798036.db2.gz IODMRKUTEJNFAJ-NWDGAFQWSA-N -1 3 328.390 2.139 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000342531224 161072054 /nfs/dbraw/zinc/07/20/54/161072054.db2.gz QPSUYRGHJYALDD-QWHCGFSZSA-N -1 3 346.430 2.201 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000344950870 161258525 /nfs/dbraw/zinc/25/85/25/161258525.db2.gz JQEODWNUTGVJLU-LLVKDONJSA-N -1 3 330.431 2.325 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)cc1C ZINC000280353196 269354596 /nfs/dbraw/zinc/35/45/96/269354596.db2.gz WVJGAIMMCHJHMV-CYBMUJFWSA-N -1 3 342.417 2.041 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1nccs1 ZINC000106238278 273952976 /nfs/dbraw/zinc/95/29/76/273952976.db2.gz NVYRCPMATAEGCS-QMMMGPOBSA-N -1 3 343.386 2.099 20 5 EEBDHM COc1cc([C@@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1[O-] ZINC000028660013 295021319 /nfs/dbraw/zinc/02/13/19/295021319.db2.gz GDFGUQIFZYRLDI-OAHLLOKOSA-N -1 3 329.312 2.187 20 5 EEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000416568988 313261119 /nfs/dbraw/zinc/26/11/19/313261119.db2.gz XSYBEQSXEDUMIK-QWHCGFSZSA-N -1 3 340.401 2.139 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](O)C(C)C ZINC000416626152 313278221 /nfs/dbraw/zinc/27/82/21/313278221.db2.gz PPNUWKKXYWAEEE-BXKDBHETSA-N -1 3 336.435 2.039 20 5 EEBDHM CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](c2ccccc2)C1 ZINC000436901717 315011432 /nfs/dbraw/zinc/01/14/32/315011432.db2.gz RRSMCOQZQAQIGR-HOTGVXAUSA-N -1 3 341.367 2.128 20 5 EEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1(C)C ZINC000440400384 315128204 /nfs/dbraw/zinc/12/82/04/315128204.db2.gz WDHPNSMRCRTYAD-KGLIPLIRSA-N -1 3 342.417 2.303 20 5 EEBDHM CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000443979414 315268108 /nfs/dbraw/zinc/26/81/08/315268108.db2.gz NTFWXTPQXKTHSA-CQSZACIVSA-N -1 3 343.383 2.203 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCC2)c2ncccc12 ZINC000574913697 320070234 /nfs/dbraw/zinc/07/02/34/320070234.db2.gz IDWBXVBIPHGICB-UHFFFAOYSA-N -1 3 339.348 2.314 20 5 EEBDHM COc1cc(NCCNC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])cc1C ZINC000590574193 468275941 /nfs/dbraw/zinc/27/59/41/468275941.db2.gz FCHBNJHAQOZHEM-UHFFFAOYSA-N -1 3 345.355 2.459 20 5 EEBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc([O-])c1F ZINC000128720816 462665856 /nfs/dbraw/zinc/66/58/56/462665856.db2.gz CQUFTHKPCQLKJH-SECBINFHSA-N -1 3 347.302 2.197 20 5 EEBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000154329715 462755276 /nfs/dbraw/zinc/75/52/76/462755276.db2.gz GJHIAKWXORFKTI-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)c1C ZINC000119566908 462912449 /nfs/dbraw/zinc/91/24/49/462912449.db2.gz RNDNDVIPWVONNY-YPMHNXCESA-N -1 3 328.390 2.057 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2nccs2)c1C ZINC000120090116 462961087 /nfs/dbraw/zinc/96/10/87/462961087.db2.gz SDLCFAXTUSNKPA-UHFFFAOYSA-N -1 3 341.414 2.189 20 5 EEBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000067432413 463005489 /nfs/dbraw/zinc/00/54/89/463005489.db2.gz FWNATIKWSAGUQM-UHFFFAOYSA-N -1 3 328.296 2.352 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCO2)c1C ZINC000121498086 463145866 /nfs/dbraw/zinc/14/58/66/463145866.db2.gz WCQFTEOLTSKNMB-AWEZNQCLSA-N -1 3 328.390 2.059 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157766555 463167298 /nfs/dbraw/zinc/16/72/98/463167298.db2.gz ZYCMCCITFRMQFC-DGCLKSJQSA-N -1 3 328.390 2.139 20 5 EEBDHM Cc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000068973865 463195949 /nfs/dbraw/zinc/19/59/49/463195949.db2.gz FPPKLWPDSFTYTB-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000068973865 463195951 /nfs/dbraw/zinc/19/59/51/463195951.db2.gz FPPKLWPDSFTYTB-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000122554776 463274666 /nfs/dbraw/zinc/27/46/66/463274666.db2.gz GRTBEEUGHGRPME-UHFFFAOYSA-N -1 3 342.417 2.470 20 5 EEBDHM Cc1ccc(-c2nnc(NC(=O)COc3ccccc3[N+](=O)[O-])[n-]2)o1 ZINC000160169307 463321632 /nfs/dbraw/zinc/32/16/32/463321632.db2.gz JTHJJCMHIYYLCV-UHFFFAOYSA-N -1 3 343.299 2.299 20 5 EEBDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccccc3[N+](=O)[O-])n2)o1 ZINC000160169307 463321636 /nfs/dbraw/zinc/32/16/36/463321636.db2.gz JTHJJCMHIYYLCV-UHFFFAOYSA-N -1 3 343.299 2.299 20 5 EEBDHM Cc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])n[n-]2)o1 ZINC000160169307 463321642 /nfs/dbraw/zinc/32/16/42/463321642.db2.gz JTHJJCMHIYYLCV-UHFFFAOYSA-N -1 3 343.299 2.299 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000083975849 463569841 /nfs/dbraw/zinc/56/98/41/463569841.db2.gz VHSMKMNSSNYOPX-VIFPVBQESA-N -1 3 334.781 2.014 20 5 EEBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000523676349 468400496 /nfs/dbraw/zinc/40/04/96/468400496.db2.gz JXXNVSWSPNVHJZ-VIFPVBQESA-N -1 3 341.165 2.281 20 5 EEBDHM Cn1nc(C2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000180365320 464295165 /nfs/dbraw/zinc/29/51/65/464295165.db2.gz LXOZDIPBKHCXML-UHFFFAOYSA-N -1 3 331.332 2.339 20 5 EEBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000265465547 464568684 /nfs/dbraw/zinc/56/86/84/464568684.db2.gz HXAAKHOYSYBHIE-LLVKDONJSA-N -1 3 346.405 2.087 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c([N+](=O)[O-])c1 ZINC000268250559 464992663 /nfs/dbraw/zinc/99/26/63/464992663.db2.gz ZELFKBTVIBCKNZ-ZDUSSCGKSA-N -1 3 346.430 2.167 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)CC1CCCC1 ZINC000338024477 465757249 /nfs/dbraw/zinc/75/72/49/465757249.db2.gz TUHZTFAMLMCPAI-CYBMUJFWSA-N -1 3 342.417 2.123 20 5 EEBDHM Cn1[n-]c([C@@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])nc1=N ZINC000331864583 466280811 /nfs/dbraw/zinc/28/08/11/466280811.db2.gz TYDIALGTPKHYDA-NSHDSACASA-N -1 3 336.783 2.126 20 5 EEBDHM COC(=O)c1ccnc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000358244004 466566915 /nfs/dbraw/zinc/56/69/15/466566915.db2.gz XLKPPZGDEVJKLX-UHFFFAOYSA-N -1 3 331.284 2.037 20 5 EEBDHM CCC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428373089 467226674 /nfs/dbraw/zinc/22/66/74/467226674.db2.gz NADWPYMSCZAGNJ-UHFFFAOYSA-N -1 3 344.389 2.081 20 5 EEBDHM CC(C)(C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)C(N)=O ZINC000449411957 467640483 /nfs/dbraw/zinc/64/04/83/467640483.db2.gz KXYZWTXIGQYFAN-LBPRGKRZSA-N -1 3 335.404 2.414 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cscc1C ZINC000487397745 468036245 /nfs/dbraw/zinc/03/62/45/468036245.db2.gz OMSSPGWJKKBDCJ-UHFFFAOYSA-N -1 3 342.398 2.452 20 5 EEBDHM COc1cc(CNc2cc(OC(F)F)n(C)n2)c([N+](=O)[O-])cc1[O-] ZINC000494461906 468058284 /nfs/dbraw/zinc/05/82/84/468058284.db2.gz BCHIWGXNSJPBQI-UHFFFAOYSA-N -1 3 344.274 2.256 20 5 EEBDHM COc1cc(CNC[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000594540977 468617313 /nfs/dbraw/zinc/61/73/13/468617313.db2.gz NXQWTULBPHCUMP-QMMMGPOBSA-N -1 3 348.302 2.058 20 5 EEBDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610740004 469058055 /nfs/dbraw/zinc/05/80/55/469058055.db2.gz ZTMMUDAHQLRDHR-VHSXEESVSA-N -1 3 348.808 2.342 20 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578124949 /nfs/dbraw/zinc/12/49/49/578124949.db2.gz QIRVWCGMLGIAKA-JTQLQIEISA-N -1 3 333.300 2.384 20 5 EEBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000735968983 578175681 /nfs/dbraw/zinc/17/56/81/578175681.db2.gz OOHTYXWWRQASHX-UHFFFAOYSA-N -1 3 325.660 2.264 20 5 EEBDHM Cc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737424901 578256807 /nfs/dbraw/zinc/25/68/07/578256807.db2.gz ZEWJWDKTBVHETA-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737424901 578256808 /nfs/dbraw/zinc/25/68/08/578256808.db2.gz ZEWJWDKTBVHETA-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM CS[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826224526 607525181 /nfs/dbraw/zinc/52/51/81/607525181.db2.gz HBAWISGUBPKKRO-RXMQYKEDSA-N -1 3 342.768 2.118 20 5 EEBDHM CS[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826224526 607525183 /nfs/dbraw/zinc/52/51/83/607525183.db2.gz HBAWISGUBPKKRO-RXMQYKEDSA-N -1 3 342.768 2.118 20 5 EEBDHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833628067 605186645 /nfs/dbraw/zinc/18/66/45/605186645.db2.gz AOWZKVOOUOPJDF-NSHDSACASA-N -1 3 341.795 2.229 20 5 EEBDHM Cc1cc(F)ccc1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822205860 606725261 /nfs/dbraw/zinc/72/52/61/606725261.db2.gz LADSOXSQDZTFIB-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM Cc1cc(F)ccc1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822205860 606725263 /nfs/dbraw/zinc/72/52/63/606725263.db2.gz LADSOXSQDZTFIB-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513416 606801192 /nfs/dbraw/zinc/80/11/92/606801192.db2.gz ZHMBIDZNDJLPKB-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513416 606801194 /nfs/dbraw/zinc/80/11/94/606801194.db2.gz ZHMBIDZNDJLPKB-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM CC(C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820067341 607043699 /nfs/dbraw/zinc/04/36/99/607043699.db2.gz IIGTZNLUOYIOQI-NSHDSACASA-N -1 3 331.380 2.432 20 5 EEBDHM CC(C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820067341 607043701 /nfs/dbraw/zinc/04/37/01/607043701.db2.gz IIGTZNLUOYIOQI-NSHDSACASA-N -1 3 331.380 2.432 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000823417694 607074520 /nfs/dbraw/zinc/07/45/20/607074520.db2.gz FPEIRTYBALZMGZ-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000823417694 607074521 /nfs/dbraw/zinc/07/45/21/607074521.db2.gz FPEIRTYBALZMGZ-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826293591 607791178 /nfs/dbraw/zinc/79/11/78/607791178.db2.gz VBLFNUNCFLKMAJ-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826293591 607791179 /nfs/dbraw/zinc/79/11/79/607791179.db2.gz VBLFNUNCFLKMAJ-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000824647646 609386820 /nfs/dbraw/zinc/38/68/20/609386820.db2.gz AOSKPPUCKUUEDQ-QMMMGPOBSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000824647646 609386821 /nfs/dbraw/zinc/38/68/21/609386821.db2.gz AOSKPPUCKUUEDQ-QMMMGPOBSA-N -1 3 329.295 2.482 20 5 EEBDHM O=C(c1cc2c(cc1[O-])OCO2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000436535427 694263456 /nfs/dbraw/zinc/26/34/56/694263456.db2.gz KLZWPFVHIKBDNH-UHFFFAOYSA-N -1 3 328.280 2.232 20 5 EEBDHM O=C(NC/C=C/CNc1ncccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001107046827 1193005286 /nfs/dbraw/zinc/00/52/86/1193005286.db2.gz GVMSLOPKCWVMPP-ONEGZZNKSA-N -1 3 328.328 2.094 20 5 EEBDHM CCC(CC)CC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105454277 1187311416 /nfs/dbraw/zinc/31/14/16/1187311416.db2.gz USXDSCGZDKRKIF-UHFFFAOYSA-N -1 3 338.408 2.416 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C1CC1 ZINC001105537438 1188158622 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ZINC001609175138 1351876364 /nfs/dbraw/zinc/87/63/64/1351876364.db2.gz HYTLCNUFKKFRHQ-LLVKDONJSA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001609175138 1351876370 /nfs/dbraw/zinc/87/63/70/1351876370.db2.gz HYTLCNUFKKFRHQ-LLVKDONJSA-N -1 3 344.375 2.313 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609258418 1351913290 /nfs/dbraw/zinc/91/32/90/1351913290.db2.gz HPKAUOHVZUSCEH-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609258418 1351913293 /nfs/dbraw/zinc/91/32/93/1351913293.db2.gz HPKAUOHVZUSCEH-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM CN(CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609276285 1351918526 /nfs/dbraw/zinc/91/85/26/1351918526.db2.gz AEMSGLBZFSDYCN-UHFFFAOYSA-N -1 3 340.343 2.290 20 5 EEBDHM CN(CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609276285 1351918527 /nfs/dbraw/zinc/91/85/27/1351918527.db2.gz AEMSGLBZFSDYCN-UHFFFAOYSA-N -1 3 340.343 2.290 20 5 EEBDHM Cc1cc(NC[C@H](C)Cn2cccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409822 1351964718 /nfs/dbraw/zinc/96/47/18/1351964718.db2.gz YDRBPEKUYQWYPZ-JTQLQIEISA-N -1 3 342.363 2.028 20 5 EEBDHM Cc1cc(NC[C@H](C)Cn2cccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409822 1351964722 /nfs/dbraw/zinc/96/47/22/1351964722.db2.gz YDRBPEKUYQWYPZ-JTQLQIEISA-N -1 3 342.363 2.028 20 5 EEBDHM Cc1cnc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001609439882 1351977709 /nfs/dbraw/zinc/97/77/09/1351977709.db2.gz LVYREADMQOQCQA-VIFPVBQESA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1cnc([C@H](C)NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001609439882 1351977710 /nfs/dbraw/zinc/97/77/10/1351977710.db2.gz LVYREADMQOQCQA-VIFPVBQESA-N -1 3 345.388 2.391 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001609517515 1352002213 /nfs/dbraw/zinc/00/22/13/1352002213.db2.gz BAGPEWMJAIRYIX-KMKOMSMNSA-N -1 3 337.295 2.394 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609517515 1352002216 /nfs/dbraw/zinc/00/22/16/1352002216.db2.gz BAGPEWMJAIRYIX-KMKOMSMNSA-N -1 3 337.295 2.394 20 5 EEBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC001609575852 1352022045 /nfs/dbraw/zinc/02/20/45/1352022045.db2.gz MIMKRHTYJBZCQS-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)ccc1-c1nnn[n-]1)C2 ZINC001609602364 1352031688 /nfs/dbraw/zinc/03/16/88/1352031688.db2.gz LAWFLRQYBCDSAK-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(F)ccc1-c1nn[n-]n1)C2 ZINC001609602364 1352031690 /nfs/dbraw/zinc/03/16/90/1352031690.db2.gz LAWFLRQYBCDSAK-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM CC(C)c1nccn1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589776376 1349036346 /nfs/dbraw/zinc/03/63/46/1349036346.db2.gz BMHWHRJSZFMXNT-UHFFFAOYSA-N -1 3 342.363 2.207 20 5 EEBDHM CC(C)c1nccn1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589776376 1349036349 /nfs/dbraw/zinc/03/63/49/1349036349.db2.gz BMHWHRJSZFMXNT-UHFFFAOYSA-N -1 3 342.363 2.207 20 5 EEBDHM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)O1 ZINC001590095764 1349153222 /nfs/dbraw/zinc/15/32/22/1349153222.db2.gz ZTYMDAYSXGNMAG-VIFPVBQESA-N -1 3 347.379 2.117 20 5 EEBDHM CC1(C)CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)O1 ZINC001590095764 1349153227 /nfs/dbraw/zinc/15/32/27/1349153227.db2.gz ZTYMDAYSXGNMAG-VIFPVBQESA-N -1 3 347.379 2.117 20 5 EEBDHM C[C@@]12CCN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC001590155313 1349177945 /nfs/dbraw/zinc/17/79/45/1349177945.db2.gz HJJHWJOVHRPGGR-GXFFZTMASA-N -1 3 336.302 2.256 20 5 EEBDHM C[C@@]12CCN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC001590155313 1349177956 /nfs/dbraw/zinc/17/79/56/1349177956.db2.gz HJJHWJOVHRPGGR-GXFFZTMASA-N -1 3 336.302 2.256 20 5 EEBDHM CC1=C(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001590158770 1349178700 /nfs/dbraw/zinc/17/87/00/1349178700.db2.gz WPKUNANRIPFLEE-UHFFFAOYSA-N -1 3 329.316 2.319 20 5 EEBDHM CC1=C(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001590158770 1349178704 /nfs/dbraw/zinc/17/87/04/1349178704.db2.gz WPKUNANRIPFLEE-UHFFFAOYSA-N -1 3 329.316 2.319 20 5 EEBDHM Cc1cc(NC[C@H]2CC3(CCC3)CO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043413 1349586970 /nfs/dbraw/zinc/58/69/70/1349586970.db2.gz FWPACWHUXBPHGP-LLVKDONJSA-N -1 3 344.375 2.454 20 5 EEBDHM Cc1cc(NC[C@H]2CC3(CCC3)CO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043413 1349586972 /nfs/dbraw/zinc/58/69/72/1349586972.db2.gz FWPACWHUXBPHGP-LLVKDONJSA-N -1 3 344.375 2.454 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC12CCC2 ZINC001593296738 1349770579 /nfs/dbraw/zinc/77/05/79/1349770579.db2.gz SBXZKIQJMFLDEH-NSHDSACASA-N -1 3 329.316 2.008 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC12CCC2 ZINC001593296738 1349770583 /nfs/dbraw/zinc/77/05/83/1349770583.db2.gz SBXZKIQJMFLDEH-NSHDSACASA-N -1 3 329.316 2.008 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCCC3(CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001593471646 1349806956 /nfs/dbraw/zinc/80/69/56/1349806956.db2.gz QWAFONQARHMSEF-UHFFFAOYSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(N3Cc4cccc(-c5nnn[n-]5)c4C3)nc2c1 ZINC001593479575 1349812054 /nfs/dbraw/zinc/81/20/54/1349812054.db2.gz LLORTAYUJDJPJU-UHFFFAOYSA-N -1 3 348.326 2.171 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(N3Cc4cccc(-c5nn[n-]n5)c4C3)nc2c1 ZINC001593479575 1349812056 /nfs/dbraw/zinc/81/20/56/1349812056.db2.gz LLORTAYUJDJPJU-UHFFFAOYSA-N -1 3 348.326 2.171 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H]2C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485684 1349815070 /nfs/dbraw/zinc/81/50/70/1349815070.db2.gz WCXBGYPHSNFTRO-ZYHUDNBSSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H]2C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485684 1349815075 /nfs/dbraw/zinc/81/50/75/1349815075.db2.gz WCXBGYPHSNFTRO-ZYHUDNBSSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(-c2nnn[n-]2)c1 ZINC001593485706 1349815266 /nfs/dbraw/zinc/81/52/66/1349815266.db2.gz WMIQNLQUDXICRI-DRTBCBBWSA-N -1 3 337.290 2.016 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(-c2nn[n-]n2)c1 ZINC001593485706 1349815268 /nfs/dbraw/zinc/81/52/68/1349815268.db2.gz WMIQNLQUDXICRI-DRTBCBBWSA-N -1 3 337.290 2.016 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCCCC2(F)F)c(-c2nnn[n-]2)c1 ZINC001593485041 1349815537 /nfs/dbraw/zinc/81/55/37/1349815537.db2.gz OVCBXEKNGWLCAR-MRVPVSSYSA-N -1 3 339.306 2.407 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCCCC2(F)F)c(-c2nn[n-]n2)c1 ZINC001593485041 1349815543 /nfs/dbraw/zinc/81/55/43/1349815543.db2.gz OVCBXEKNGWLCAR-MRVPVSSYSA-N -1 3 339.306 2.407 20 5 EEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC001602405166 1350511981 /nfs/dbraw/zinc/51/19/81/1350511981.db2.gz OHLJYXHHRWXWIJ-UHFFFAOYSA-N -1 3 330.344 2.396 20 5 EEBDHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC001603223745 1350665616 /nfs/dbraw/zinc/66/56/16/1350665616.db2.gz OXJDEPMIWIZDHS-SWLSCSKDSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC001603223745 1350665620 /nfs/dbraw/zinc/66/56/20/1350665620.db2.gz OXJDEPMIWIZDHS-SWLSCSKDSA-N -1 3 348.407 2.476 20 5 EEBDHM CCOCC(C)(C)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604422454 1350935253 /nfs/dbraw/zinc/93/52/53/1350935253.db2.gz UZOOVUJCDLATER-UHFFFAOYSA-N -1 3 338.343 2.389 20 5 EEBDHM CCOCC(C)(C)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604422454 1350935257 /nfs/dbraw/zinc/93/52/57/1350935257.db2.gz UZOOVUJCDLATER-UHFFFAOYSA-N -1 3 338.343 2.389 20 5 EEBDHM Nc1ccc([N+](=O)[O-])c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001606452248 1351305251 /nfs/dbraw/zinc/30/52/51/1351305251.db2.gz JTDRZDXCDAPDIL-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM Nc1ccc([N+](=O)[O-])c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001606452248 1351305254 /nfs/dbraw/zinc/30/52/54/1351305254.db2.gz JTDRZDXCDAPDIL-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC[C@H](OCC3CC3)C2)ccc1-c1nnn[n-]1 ZINC001607078512 1351407655 /nfs/dbraw/zinc/40/76/55/1351407655.db2.gz DLBVYEDBLYORRI-ZDUSSCGKSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H](CO)C1CCCCC1 ZINC001607081254 1351409289 /nfs/dbraw/zinc/40/92/89/1351409289.db2.gz DECGKRUKOIFJLP-ZDUSSCGKSA-N -1 3 346.391 2.376 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H](CO)C1CCCCC1 ZINC001607081254 1351409292 /nfs/dbraw/zinc/40/92/92/1351409292.db2.gz DECGKRUKOIFJLP-ZDUSSCGKSA-N -1 3 346.391 2.376 20 5 EEBDHM O=C([N-]OC[C@@H]1CCOC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000861246787 1369490966 /nfs/dbraw/zinc/49/09/66/1369490966.db2.gz AXYKRJXXZLZOGZ-MRVPVSSYSA-N -1 3 345.149 2.055 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001106935963 779264222 /nfs/dbraw/zinc/26/42/22/779264222.db2.gz BARIIOFVORDJBB-UHFFFAOYSA-N -1 3 332.307 2.001 20 5 EEBDHM Cc1coc(C(=O)N(C)CCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001112159695 781662663 /nfs/dbraw/zinc/66/26/63/781662663.db2.gz WECJEDWFYRZUJH-UHFFFAOYSA-N -1 3 348.359 2.195 20 5 EEBDHM CC(C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCC1 ZINC001107158024 786154052 /nfs/dbraw/zinc/15/40/52/786154052.db2.gz HBRWHTRETRMHHZ-IHWYPQMZSA-N -1 3 332.360 2.280 20 5 EEBDHM C[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824723681 788287476 /nfs/dbraw/zinc/28/74/76/788287476.db2.gz UFIZIXMGFPKLJX-QMMMGPOBSA-N -1 3 328.288 2.021 20 5 EEBDHM C[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824723681 788287484 /nfs/dbraw/zinc/28/74/84/788287484.db2.gz UFIZIXMGFPKLJX-QMMMGPOBSA-N -1 3 328.288 2.021 20 5 EEBDHM CCC(C)(C)CC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093179090 794768753 /nfs/dbraw/zinc/76/87/53/794768753.db2.gz SBJLKXMEOUQDEW-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)=C1CCCC1 ZINC001094367262 796165708 /nfs/dbraw/zinc/16/57/08/796165708.db2.gz PZINQPCNSRCGMH-UHFFFAOYSA-N -1 3 338.339 2.411 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccoc1C1CC1 ZINC001094730952 796551787 /nfs/dbraw/zinc/55/17/87/796551787.db2.gz DGQKTHYACMATCS-UHFFFAOYSA-N -1 3 346.343 2.398 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCCP(=O)([O-])[O-])CC2 ZINC001172913280 797171246 /nfs/dbraw/zinc/17/12/46/797171246.db2.gz VFFVKSBAWKBLHE-AWEZNQCLSA-N -1 3 342.332 2.390 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC001109354350 805341754 /nfs/dbraw/zinc/34/17/54/805341754.db2.gz UBNYCOFJHHHQET-UHFFFAOYSA-N -1 3 348.334 2.409 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826255374 947736375 /nfs/dbraw/zinc/73/63/75/947736375.db2.gz WEDVNCBEHVXESV-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826465851 948360582 /nfs/dbraw/zinc/36/05/82/948360582.db2.gz GDFCCSBOOAAOPB-UHFFFAOYSA-N -1 3 348.706 2.113 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 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335.385 2.394 20 5 EEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000266260127 248207355 /nfs/dbraw/zinc/20/73/55/248207355.db2.gz ZBMJEGIFTPXLOQ-ZIAGYGMSSA-N -1 3 340.401 2.221 20 5 EEBDHM O=[N+]([O-])c1cnc(Sc2nnc([N-]CC(F)(F)F)s2)nc1 ZINC000273641749 256314653 /nfs/dbraw/zinc/31/46/53/256314653.db2.gz SGJQBXMLSAETKG-UHFFFAOYSA-N -1 3 338.296 2.362 20 5 EEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119215562 221268833 /nfs/dbraw/zinc/26/88/33/221268833.db2.gz LOILVMBLCZLDBX-SWLSCSKDSA-N -1 3 344.433 2.287 20 5 EEBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000354064977 153081993 /nfs/dbraw/zinc/08/19/93/153081993.db2.gz KPJCLWMJYFVTPZ-GFCCVEGCSA-N -1 3 332.337 2.201 20 5 EEBDHM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187557257 160105343 /nfs/dbraw/zinc/10/53/43/160105343.db2.gz TVTCSGVNLOQQHL-UHFFFAOYSA-N -1 3 343.274 2.273 20 5 EEBDHM 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EEBDHM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000737336901 578251323 /nfs/dbraw/zinc/25/13/23/578251323.db2.gz JNGIVIFATRXHEZ-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000737336901 578251324 /nfs/dbraw/zinc/25/13/24/578251324.db2.gz JNGIVIFATRXHEZ-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1nn(C)c(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC000737512349 578261708 /nfs/dbraw/zinc/26/17/08/578261708.db2.gz WJMMUUSRJUZKNK-UHFFFAOYSA-N -1 3 335.711 2.263 20 5 EEBDHM Cc1nn(C)c(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1[N+](=O)[O-] ZINC000737512349 578261709 /nfs/dbraw/zinc/26/17/09/578261709.db2.gz WJMMUUSRJUZKNK-UHFFFAOYSA-N -1 3 335.711 2.263 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823635009 607328461 /nfs/dbraw/zinc/32/84/61/607328461.db2.gz PMOGXLLKRUXZPM-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823635009 607328462 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@@H](O)c2ccccc21 ZINC001593469856 1349806328 /nfs/dbraw/zinc/80/63/28/1349806328.db2.gz BAEKEHFKSHWNOS-DZGCQCFKSA-N -1 3 338.327 2.365 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@@H](O)c2ccccc21 ZINC001593469856 1349806329 /nfs/dbraw/zinc/80/63/29/1349806329.db2.gz BAEKEHFKSHWNOS-DZGCQCFKSA-N -1 3 338.327 2.365 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@H]2CC[C@H](C3CC3)O2)ccc1-c1nnn[n-]1 ZINC001593474031 1349808318 /nfs/dbraw/zinc/80/83/18/1349808318.db2.gz NYEMLAJKUWSVKX-BXUZGUMPSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnc(Cc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC001593480192 1349812775 /nfs/dbraw/zinc/81/27/75/1349812775.db2.gz IDKNSMNXACBVJK-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnc(Cc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC001593480192 1349812779 /nfs/dbraw/zinc/81/27/79/1349812779.db2.gz IDKNSMNXACBVJK-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 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CO[C@H](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821673506 599516251 /nfs/dbraw/zinc/51/62/51/599516251.db2.gz DHDOBUAJEFUFFO-SECBINFHSA-N -1 3 343.347 2.160 20 5 EEBDHM CO[C@H](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821673506 599516252 /nfs/dbraw/zinc/51/62/52/599516252.db2.gz DHDOBUAJEFUFFO-SECBINFHSA-N -1 3 343.347 2.160 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822271278 599622991 /nfs/dbraw/zinc/62/29/91/599622991.db2.gz UQTVZNCELPLJHG-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822271278 599622992 /nfs/dbraw/zinc/62/29/92/599622992.db2.gz UQTVZNCELPLJHG-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM CCCCn1ncc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000821081833 607467636 /nfs/dbraw/zinc/46/76/36/607467636.db2.gz BBAGJFVKGLSXEJ-UHFFFAOYSA-N -1 3 343.351 2.219 20 5 EEBDHM CCCCn1ncc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000821081833 607467637 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Cc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822289263 607127853 /nfs/dbraw/zinc/12/78/53/607127853.db2.gz VJTPBGCYDNVFLV-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000823041297 607171054 /nfs/dbraw/zinc/17/10/54/607171054.db2.gz XMQNAOYYXJBAPU-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000823041297 607171055 /nfs/dbraw/zinc/17/10/55/607171055.db2.gz XMQNAOYYXJBAPU-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824214933 608242188 /nfs/dbraw/zinc/24/21/88/608242188.db2.gz IKOJQQVTKVLLQW-FZMZJTMJSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824214933 608242189 /nfs/dbraw/zinc/24/21/89/608242189.db2.gz IKOJQQVTKVLLQW-FZMZJTMJSA-N -1 3 332.364 2.390 20 5 EEBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000825972178 608532858 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KETWKBWAKJDUMG-IUCAKERBSA-N -1 3 336.327 2.284 20 5 EEBDHM CC[C@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001604099310 1350857037 /nfs/dbraw/zinc/85/70/37/1350857037.db2.gz KETWKBWAKJDUMG-IUCAKERBSA-N -1 3 336.327 2.284 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncccc1F ZINC001605404715 1351154763 /nfs/dbraw/zinc/15/47/63/1351154763.db2.gz GCILHIQASSFNTL-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncccc1F ZINC001605404715 1351154764 /nfs/dbraw/zinc/15/47/64/1351154764.db2.gz GCILHIQASSFNTL-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOc2cc(F)ccc21 ZINC001607080612 1351409488 /nfs/dbraw/zinc/40/94/88/1351409488.db2.gz UZYQDIYQKXYWES-UHFFFAOYSA-N -1 3 342.290 2.445 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOc2cc(F)ccc21 ZINC001607080612 1351409491 /nfs/dbraw/zinc/40/94/91/1351409491.db2.gz UZYQDIYQKXYWES-UHFFFAOYSA-N -1 3 342.290 2.445 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC001607081771 1351410249 /nfs/dbraw/zinc/41/02/49/1351410249.db2.gz GSIDPCXVHDUGNC-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC001607081771 1351410253 /nfs/dbraw/zinc/41/02/53/1351410253.db2.gz GSIDPCXVHDUGNC-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001607082729 1351410694 /nfs/dbraw/zinc/41/06/94/1351410694.db2.gz UJDLMBBXJJDXLS-GJZGRUSLSA-N -1 3 344.375 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001607082729 1351410700 /nfs/dbraw/zinc/41/07/00/1351410700.db2.gz UJDLMBBXJJDXLS-GJZGRUSLSA-N -1 3 344.375 2.313 20 5 EEBDHM CC[C@H]1COC(C)(C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590522821 1403882891 /nfs/dbraw/zinc/88/28/91/1403882891.db2.gz HOVOVQZHRUTDIX-JTQLQIEISA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@H]1COC(C)(C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590522821 1403882897 /nfs/dbraw/zinc/88/28/97/1403882897.db2.gz HOVOVQZHRUTDIX-JTQLQIEISA-N -1 3 332.364 2.169 20 5 EEBDHM COc1cc(OCc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591552770 1403926778 /nfs/dbraw/zinc/92/67/78/1403926778.db2.gz KHPNRWMUDALRRI-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc(OCc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591552770 1403926792 /nfs/dbraw/zinc/92/67/92/1403926792.db2.gz KHPNRWMUDALRRI-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591638589 1403932703 /nfs/dbraw/zinc/93/27/03/1403932703.db2.gz XXIWFFJHQQTESL-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591638589 1403932706 /nfs/dbraw/zinc/93/27/06/1403932706.db2.gz XXIWFFJHQQTESL-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)(C)C ZINC001112046119 765232301 /nfs/dbraw/zinc/23/23/01/765232301.db2.gz FPDBAVCONFVETQ-UHFFFAOYSA-N -1 3 338.408 2.416 20 5 EEBDHM O=C(CC1CCC1)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127598518 774794576 /nfs/dbraw/zinc/79/45/76/774794576.db2.gz RWHXUHQUCQJPHL-UHFFFAOYSA-N -1 3 346.387 2.138 20 5 EEBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000910457570 786786049 /nfs/dbraw/zinc/78/60/49/786786049.db2.gz WHVSVRFWDFGWLX-LBPRGKRZSA-N -1 3 344.371 2.128 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1coc(C(F)F)c1 ZINC001094072419 795913171 /nfs/dbraw/zinc/91/31/71/795913171.db2.gz JSYLPIYUSDLUJQ-UHFFFAOYSA-N -1 3 342.258 2.068 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC001094105277 795956269 /nfs/dbraw/zinc/95/62/69/795956269.db2.gz LJWXWXBBJOOVAO-UHFFFAOYSA-N -1 3 341.327 2.019 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC(F)(F)C1 ZINC001106734496 796382126 /nfs/dbraw/zinc/38/21/26/796382126.db2.gz DEZKVRGRSKDNHN-UHFFFAOYSA-N -1 3 344.318 2.001 20 5 EEBDHM CCc1ccoc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094752580 796562322 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334.781 2.094 20 5 EEBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000111352905 142358291 /nfs/dbraw/zinc/35/82/91/142358291.db2.gz BEZWBYXOMAEJPH-ZDUSSCGKSA-N -1 3 341.433 2.056 20 5 EEBDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000342287364 161053636 /nfs/dbraw/zinc/05/36/36/161053636.db2.gz KOAXYXKWNDPXOY-OCCSQVGLSA-N -1 3 346.380 2.216 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c([N+](=O)[O-])c1 ZINC000343962524 161184802 /nfs/dbraw/zinc/18/48/02/161184802.db2.gz CEWYQCCGUBOZEU-NSHDSACASA-N -1 3 346.430 2.167 20 5 EEBDHM CCC(CC)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000355390416 163174274 /nfs/dbraw/zinc/17/42/74/163174274.db2.gz KTRBDMVPSRGTPU-UHFFFAOYSA-N -1 3 344.389 2.081 20 5 EEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000355718132 163279524 /nfs/dbraw/zinc/27/95/24/163279524.db2.gz VAGHUIKMFFMOOU-UWVGGRQHSA-N -1 3 348.808 2.342 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C 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YQBIBDRDCKJMDH-UHFFFAOYSA-N -1 3 332.259 2.276 20 5 EEBDHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000313094088 311585959 /nfs/dbraw/zinc/58/59/59/311585959.db2.gz BDTZQTGWJIYZAY-DGCLKSJQSA-N -1 3 330.406 2.039 20 5 EEBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000416536719 313249912 /nfs/dbraw/zinc/24/99/12/313249912.db2.gz QKEQYHZVNQNMMZ-WPRPVWTQSA-N -1 3 334.781 2.094 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416625436 313277787 /nfs/dbraw/zinc/27/77/87/313277787.db2.gz PCWOYHVRWAYRDA-GXTWGEPZSA-N -1 3 344.433 2.285 20 5 EEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC000416641302 313282897 /nfs/dbraw/zinc/28/28/97/313282897.db2.gz DHTQKYMLRVEAPV-HNNXBMFYSA-N -1 3 348.380 2.286 20 5 EEBDHM COC(=O)c1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1[O-] ZINC000436801988 315000236 /nfs/dbraw/zinc/00/02/36/315000236.db2.gz AJENRBZLPRYXBG-UHFFFAOYSA-N -1 3 334.259 2.478 20 5 EEBDHM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436957170 315016052 /nfs/dbraw/zinc/01/60/52/315016052.db2.gz SHZGMLJBWNXCNS-HNNXBMFYSA-N -1 3 343.383 2.203 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000190069475 533707595 /nfs/dbraw/zinc/70/75/95/533707595.db2.gz VBFMWGRHHHPEKU-LLVKDONJSA-N -1 3 330.431 2.386 20 5 EEBDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013938077 462906075 /nfs/dbraw/zinc/90/60/75/462906075.db2.gz QMAZEJKWGFUYHI-UHFFFAOYSA-N -1 3 336.369 2.124 20 5 EEBDHM CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194741094 463920055 /nfs/dbraw/zinc/92/00/55/463920055.db2.gz JWFWHEQKKZUKSU-UHFFFAOYSA-N -1 3 329.356 2.292 20 5 EEBDHM Cc1cc(F)c([N-]C(=O)c2cn(C3CCOCC3)nn2)cc1[N+](=O)[O-] ZINC000292373590 464211810 /nfs/dbraw/zinc/21/18/10/464211810.db2.gz QPSQAPOEFCCJQJ-UHFFFAOYSA-N -1 3 349.322 2.238 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)cc1C ZINC000272108380 464480387 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ZINC000592081381 468615226 /nfs/dbraw/zinc/61/52/26/468615226.db2.gz AAFHLFGJLSDAEW-MFKMUULPSA-N -1 3 344.433 2.287 20 5 EEBDHM C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000594873875 468714283 /nfs/dbraw/zinc/71/42/83/468714283.db2.gz PAGRDWSQILUZCP-VHSXEESVSA-N -1 3 331.332 2.166 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601385171 468852474 /nfs/dbraw/zinc/85/24/74/468852474.db2.gz JNYRTXFKCWVNJZ-GHMZBOCLSA-N -1 3 346.380 2.136 20 5 EEBDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC000601431133 468869599 /nfs/dbraw/zinc/86/95/99/468869599.db2.gz FUDWHJXNCRRGBE-OTYXRUKQSA-N -1 3 346.380 2.134 20 5 EEBDHM O=c1[n-]ccc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000596084224 469146567 /nfs/dbraw/zinc/14/65/67/469146567.db2.gz YENGMZDSOLFYJJ-BETUJISGSA-N -1 3 326.356 2.268 20 5 EEBDHM C[C@H]1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000563182536 469189479 /nfs/dbraw/zinc/18/94/79/469189479.db2.gz IYJYMFUDUDFCQG-VIFPVBQESA-N -1 3 327.768 2.025 20 5 EEBDHM COC(=O)c1cccc2c1CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596260522 469224553 /nfs/dbraw/zinc/22/45/53/469224553.db2.gz GBCOFQRKYSYQHN-UHFFFAOYSA-N -1 3 329.312 2.045 20 5 EEBDHM COC(=O)C(C)(C)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000596519059 469291083 /nfs/dbraw/zinc/29/10/83/469291083.db2.gz QPZOVDVAGORHSH-UHFFFAOYSA-N -1 3 339.739 2.491 20 5 EEBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000181845045 527929539 /nfs/dbraw/zinc/92/95/39/527929539.db2.gz RSTGAOVJSHSQHM-UHFFFAOYSA-N -1 3 334.369 2.217 20 5 EEBDHM COC(=O)N(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000495541680 536399590 /nfs/dbraw/zinc/39/95/90/536399590.db2.gz QDRYTIITFIXWMF-UHFFFAOYSA-N -1 3 346.299 2.150 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738152078 578001261 /nfs/dbraw/zinc/00/12/61/578001261.db2.gz RRNLNRRLORATSS-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738152078 578001262 /nfs/dbraw/zinc/00/12/62/578001262.db2.gz RRNLNRRLORATSS-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738358242 578010550 /nfs/dbraw/zinc/01/05/50/578010550.db2.gz CKVKUHBJAXKGNB-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738358242 578010551 /nfs/dbraw/zinc/01/05/51/578010551.db2.gz CKVKUHBJAXKGNB-UHFFFAOYSA-N -1 3 349.310 2.416 20 5 EEBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nnn[n-]3)cc2)nc2sccn21 ZINC000738360305 578010627 /nfs/dbraw/zinc/01/06/27/578010627.db2.gz VHDAJQBDOJRCHV-UHFFFAOYSA-N -1 3 329.301 2.276 20 5 EEBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2)nc2sccn21 ZINC000738360305 578010628 /nfs/dbraw/zinc/01/06/28/578010628.db2.gz VHDAJQBDOJRCHV-UHFFFAOYSA-N -1 3 329.301 2.276 20 5 EEBDHM O=C([N-]c1nc(C2CC2)no1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000734875236 577332705 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EEBDHM Cc1cnc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822395153 599105628 /nfs/dbraw/zinc/10/56/28/599105628.db2.gz TXGBOEZBIKEDID-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826293243 607434479 /nfs/dbraw/zinc/43/44/79/607434479.db2.gz HPDUVPKRIKSXKL-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826293243 607434481 /nfs/dbraw/zinc/43/44/81/607434481.db2.gz HPDUVPKRIKSXKL-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513001 606339239 /nfs/dbraw/zinc/33/92/39/606339239.db2.gz RXMTYCIQYBIIAJ-VIFPVBQESA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513001 606339241 /nfs/dbraw/zinc/33/92/41/606339241.db2.gz RXMTYCIQYBIIAJ-VIFPVBQESA-N -1 3 342.315 2.031 20 5 EEBDHM Cc1c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822075263 606495285 /nfs/dbraw/zinc/49/52/85/606495285.db2.gz ANGMHOMQQOMSQB-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822075263 606495287 /nfs/dbraw/zinc/49/52/87/606495287.db2.gz ANGMHOMQQOMSQB-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1nn(Cc2ccccc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000822500927 606984662 /nfs/dbraw/zinc/98/46/62/606984662.db2.gz MQRIQOFEHZJLAC-UHFFFAOYSA-N -1 3 335.327 2.481 20 5 EEBDHM Cc1nn(Cc2ccccc2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000822500927 606984665 /nfs/dbraw/zinc/98/46/65/606984665.db2.gz MQRIQOFEHZJLAC-UHFFFAOYSA-N -1 3 335.327 2.481 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823450223 607249326 /nfs/dbraw/zinc/24/93/26/607249326.db2.gz KTFXVPAXSNURMK-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823450223 607249327 /nfs/dbraw/zinc/24/93/27/607249327.db2.gz KTFXVPAXSNURMK-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826499937 607958313 /nfs/dbraw/zinc/95/83/13/607958313.db2.gz FILQHLLKEATNBI-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826499937 607958314 /nfs/dbraw/zinc/95/83/14/607958314.db2.gz FILQHLLKEATNBI-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(c1sccc1[N+](=O)[O-])C2 ZINC000826396977 608583160 /nfs/dbraw/zinc/58/31/60/608583160.db2.gz QEOYRCXPERAGSJ-UHFFFAOYSA-N -1 3 349.401 2.043 20 5 EEBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(c1sccc1[N+](=O)[O-])C2 ZINC000826396977 608583162 /nfs/dbraw/zinc/58/31/62/608583162.db2.gz QEOYRCXPERAGSJ-UHFFFAOYSA-N -1 3 349.401 2.043 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1(C2CC2)CCC1 ZINC001059360311 684423142 /nfs/dbraw/zinc/42/31/42/684423142.db2.gz FIWJAVRQQSKSMB-HAQNSBGRSA-N -1 3 346.387 2.335 20 5 EEBDHM Cc1cc(C)c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c(C)c1 ZINC000125502898 692223202 /nfs/dbraw/zinc/22/32/02/692223202.db2.gz SPVCMOQDMONBEC-UHFFFAOYSA-N -1 3 336.373 2.220 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001107007241 1192564881 /nfs/dbraw/zinc/56/48/81/1192564881.db2.gz HURKOFHKAFJEGD-SNAWJCMRSA-N -1 3 334.376 2.360 20 5 EEBDHM O=C(NC/C=C\CNc1ncc([N+](=O)[O-])cc1F)c1ccccc1[O-] ZINC001107047328 1193006150 /nfs/dbraw/zinc/00/61/50/1193006150.db2.gz QIXMZYTVJKPWBV-ARJAWSKDSA-N -1 3 346.318 2.233 20 5 EEBDHM Cc1ccc(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001107050324 1193023437 /nfs/dbraw/zinc/02/34/37/1193023437.db2.gz FYNDVFVRGJATEG-IHWYPQMZSA-N -1 3 348.384 2.463 20 5 EEBDHM CCC(CC)CC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095614158 1205891432 /nfs/dbraw/zinc/89/14/32/1205891432.db2.gz QUFDSCPYIPCWTB-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM O=C(/C=C\C1CC1)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096019112 1233660674 /nfs/dbraw/zinc/66/06/74/1233660674.db2.gz VPVZQVMXFSDMSQ-DAXSKMNVSA-N -1 3 346.387 2.137 20 5 EEBDHM CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001097243651 1243871240 /nfs/dbraw/zinc/87/12/40/1243871240.db2.gz KKKZBKLZMHDPHW-PHIMTYICSA-N -1 3 334.376 2.335 20 5 EEBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(N)=O)c(OC)c1 ZINC001201229308 1289362249 /nfs/dbraw/zinc/36/22/49/1289362249.db2.gz LUGZTAUZNWEXDN-UHFFFAOYSA-N -1 3 333.300 2.160 20 5 EEBDHM O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218286707 1297623223 /nfs/dbraw/zinc/62/32/23/1297623223.db2.gz JDXPPICUPIZLJP-LLVKDONJSA-N -1 3 327.336 2.488 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001102024130 1300157668 /nfs/dbraw/zinc/15/76/68/1300157668.db2.gz BYZUOWQWNAPPCZ-UHFFFAOYSA-N -1 3 334.376 2.146 20 5 EEBDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663050 1301115441 /nfs/dbraw/zinc/11/54/41/1301115441.db2.gz XWMNSZBVXLNJLP-MGCOHNPYSA-N -1 3 339.348 2.472 20 5 EEBDHM Cc1ccc(C(=O)c2cc([O-])c(OC(=O)[C@H](C)O)c([N+](=O)[O-])c2)cc1 ZINC001227699629 1301932651 /nfs/dbraw/zinc/93/26/51/1301932651.db2.gz INSAGUKGEGSCKJ-JTQLQIEISA-N -1 3 345.307 2.126 20 5 EEBDHM CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309783992 1331641555 /nfs/dbraw/zinc/64/15/55/1331641555.db2.gz BQVJEAQZICXUNI-SCZZXKLOSA-N -1 3 336.797 2.076 20 5 EEBDHM O=C(NC1(CNc2cccc(F)c2[N+](=O)[O-])CCCC1)c1cn[n-]n1 ZINC001103469271 1303004628 /nfs/dbraw/zinc/00/46/28/1303004628.db2.gz LIKZQJAQAJAPSM-UHFFFAOYSA-N -1 3 348.338 2.007 20 5 EEBDHM COc1cc(OC)cc(-c2nnc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)o2)c1 ZINC001253887621 1317955277 /nfs/dbraw/zinc/95/52/77/1317955277.db2.gz LRTFIEPRLVBCNN-UHFFFAOYSA-N -1 3 344.283 2.430 20 5 EEBDHM O=c1[n-]c(C2CC2)nc2c1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001308052796 1331561958 /nfs/dbraw/zinc/56/19/58/1331561958.db2.gz SQJFCJMFMZPYPS-UHFFFAOYSA-N -1 3 342.355 2.362 20 5 EEBDHM CCN(CC)C(=S)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609222709 1351900003 /nfs/dbraw/zinc/90/00/03/1351900003.db2.gz UUXBFQAOOQGWOR-UHFFFAOYSA-N -1 3 338.418 2.494 20 5 EEBDHM CCN(CC)C(=S)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609222709 1351900007 /nfs/dbraw/zinc/90/00/07/1351900007.db2.gz UUXBFQAOOQGWOR-UHFFFAOYSA-N -1 3 338.418 2.494 20 5 EEBDHM CCOc1cc(NCc2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-] ZINC001609242670 1351906609 /nfs/dbraw/zinc/90/66/09/1351906609.db2.gz ADNVUPGZZPGCLP-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM CCOc1cc(NCc2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-] ZINC001609242670 1351906610 /nfs/dbraw/zinc/90/66/10/1351906610.db2.gz ADNVUPGZZPGCLP-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609520490 1352003580 /nfs/dbraw/zinc/00/35/80/1352003580.db2.gz WQEPEEMJMHBKQJ-JBLDHEPKSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609520490 1352003582 /nfs/dbraw/zinc/00/35/82/1352003582.db2.gz WQEPEEMJMHBKQJ-JBLDHEPKSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(CC1CCCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609520431 1352003612 /nfs/dbraw/zinc/00/36/12/1352003612.db2.gz TUAYDRAIGDXNAR-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM O=C(CC1CCCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609520431 1352003619 /nfs/dbraw/zinc/00/36/19/1352003619.db2.gz TUAYDRAIGDXNAR-UHFFFAOYSA-N -1 3 331.332 2.398 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(Sc3ncc[nH]3)cc(-c3nnn[n-]3)c2c1 ZINC001609602286 1352032061 /nfs/dbraw/zinc/03/20/61/1352032061.db2.gz HLYDFZVQHCINCV-UHFFFAOYSA-N -1 3 340.328 2.197 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(Sc3ncc[nH]3)cc(-c3nn[n-]n3)c2c1 ZINC001609602286 1352032065 /nfs/dbraw/zinc/03/20/65/1352032065.db2.gz HLYDFZVQHCINCV-UHFFFAOYSA-N -1 3 340.328 2.197 20 5 EEBDHM CC(Cl)(Cl)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589904628 1349060275 /nfs/dbraw/zinc/06/02/75/1349060275.db2.gz PQZLGEVHRKZXFL-UHFFFAOYSA-N -1 3 346.130 2.012 20 5 EEBDHM CC(Cl)(Cl)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589904628 1349060279 /nfs/dbraw/zinc/06/02/79/1349060279.db2.gz PQZLGEVHRKZXFL-UHFFFAOYSA-N -1 3 346.130 2.012 20 5 EEBDHM C[C@@H](NCc1cc(-c2nnn[n-]2)ccn1)c1ccccc1[N+](=O)[O-] ZINC001591730374 1349536461 /nfs/dbraw/zinc/53/64/61/1349536461.db2.gz JUCHNZRXXJZPEI-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccn1)c1ccccc1[N+](=O)[O-] ZINC001591730374 1349536468 /nfs/dbraw/zinc/53/64/68/1349536468.db2.gz JUCHNZRXXJZPEI-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592198011 1349604984 /nfs/dbraw/zinc/60/49/84/1349604984.db2.gz SNIXOUBGXFNDRA-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592198011 1349604988 /nfs/dbraw/zinc/60/49/88/1349604988.db2.gz SNIXOUBGXFNDRA-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001593415651 1349798715 /nfs/dbraw/zinc/79/87/15/1349798715.db2.gz COCHUOTVPMVQKE-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001593415651 1349798717 /nfs/dbraw/zinc/79/87/17/1349798717.db2.gz COCHUOTVPMVQKE-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1S[C@H]1CCCOC1 ZINC001593467451 1349803359 /nfs/dbraw/zinc/80/33/59/1349803359.db2.gz QZYYNEWRWVAJHH-ZETCQYMHSA-N -1 3 325.325 2.185 20 5 EEBDHM O=[N+]([O-])c1cc(NCc2noc3c2CCCC3)ccc1-c1nnn[n-]1 ZINC001593473455 1349807753 /nfs/dbraw/zinc/80/77/53/1349807753.db2.gz CTOAEUIENBFGMS-UHFFFAOYSA-N -1 3 341.331 2.254 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](OC2CCC2)C1 ZINC001593473786 1349808361 /nfs/dbraw/zinc/80/83/61/1349808361.db2.gz ALUVPAIAIMEFSH-CYBMUJFWSA-N -1 3 344.375 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](OC2CCC2)C1 ZINC001593473786 1349808366 /nfs/dbraw/zinc/80/83/66/1349808366.db2.gz ALUVPAIAIMEFSH-CYBMUJFWSA-N -1 3 344.375 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1nccc(C(F)F)n1 ZINC001593475270 1349809882 /nfs/dbraw/zinc/80/98/82/1349809882.db2.gz NTMBKEXQINDICH-UHFFFAOYSA-N -1 3 348.273 2.115 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1nccc(C(F)F)n1 ZINC001593475270 1349809885 /nfs/dbraw/zinc/80/98/85/1349809885.db2.gz NTMBKEXQINDICH-UHFFFAOYSA-N -1 3 348.273 2.115 20 5 EEBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001593484271 1349813958 /nfs/dbraw/zinc/81/39/58/1349813958.db2.gz SHUVBNYYHXOPJH-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001593484271 1349813961 /nfs/dbraw/zinc/81/39/61/1349813961.db2.gz SHUVBNYYHXOPJH-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001593485669 1349814822 /nfs/dbraw/zinc/81/48/22/1349814822.db2.gz VZSTZEFBSKFMGO-UHFFFAOYSA-N -1 3 343.322 2.354 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001593485669 1349814826 /nfs/dbraw/zinc/81/48/26/1349814826.db2.gz VZSTZEFBSKFMGO-UHFFFAOYSA-N -1 3 343.322 2.354 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC001593485580 1349814918 /nfs/dbraw/zinc/81/49/18/1349814918.db2.gz UWLWXHWAVZKGNC-UHFFFAOYSA-N -1 3 347.285 2.103 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC001593485580 1349814922 /nfs/dbraw/zinc/81/49/22/1349814922.db2.gz UWLWXHWAVZKGNC-UHFFFAOYSA-N -1 3 347.285 2.103 20 5 EEBDHM C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001603725778 1350751495 /nfs/dbraw/zinc/75/14/95/1350751495.db2.gz PLSDMLDIQOGYCM-SSDOTTSWSA-N -1 3 344.360 2.000 20 5 EEBDHM C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001603725778 1350751497 /nfs/dbraw/zinc/75/14/97/1350751497.db2.gz PLSDMLDIQOGYCM-SSDOTTSWSA-N -1 3 344.360 2.000 20 5 EEBDHM C[C@@H]1CCCC[C@@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603890929 1350794476 /nfs/dbraw/zinc/79/44/76/1350794476.db2.gz ORFQKPSQYFJXBV-MFKMUULPSA-N -1 3 347.379 2.177 20 5 EEBDHM C[C@@H]1CCCC[C@@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603890929 1350794482 /nfs/dbraw/zinc/79/44/82/1350794482.db2.gz ORFQKPSQYFJXBV-MFKMUULPSA-N -1 3 347.379 2.177 20 5 EEBDHM CCc1csc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001604539379 1350957885 /nfs/dbraw/zinc/95/78/85/1350957885.db2.gz XJOAESFTTNYWLH-ZETCQYMHSA-N -1 3 346.376 2.362 20 5 EEBDHM CCc1csc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001604539379 1350957888 /nfs/dbraw/zinc/95/78/88/1350957888.db2.gz XJOAESFTTNYWLH-ZETCQYMHSA-N -1 3 346.376 2.362 20 5 EEBDHM CO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC001605025240 1351058230 /nfs/dbraw/zinc/05/82/30/1351058230.db2.gz SEYBGXYGVDIQRS-UONOGXRCSA-N -1 3 344.375 2.169 20 5 EEBDHM CO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC001605025240 1351058233 /nfs/dbraw/zinc/05/82/33/1351058233.db2.gz SEYBGXYGVDIQRS-UONOGXRCSA-N -1 3 344.375 2.169 20 5 EEBDHM Cc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1 ZINC001605846598 1351235083 /nfs/dbraw/zinc/23/50/83/1351235083.db2.gz NCDRGRUBSAEGKT-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM Cc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1 ZINC001605846598 1351235084 /nfs/dbraw/zinc/23/50/84/1351235084.db2.gz NCDRGRUBSAEGKT-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(CCC3)CC2)c1-c1nnn[n-]1 ZINC001606450423 1351304587 /nfs/dbraw/zinc/30/45/87/1351304587.db2.gz DEARHKLYFQMVQK-UHFFFAOYSA-N -1 3 329.364 2.128 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(CCC3)CC2)c1-c1nn[n-]n1 ZINC001606450423 1351304590 /nfs/dbraw/zinc/30/45/90/1351304590.db2.gz DEARHKLYFQMVQK-UHFFFAOYSA-N -1 3 329.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCCc2sccc2C1 ZINC001607079777 1351408203 /nfs/dbraw/zinc/40/82/03/1351408203.db2.gz FCHPSBGJJATYNZ-UHFFFAOYSA-N -1 3 343.372 2.184 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCCc2sccc2C1 ZINC001607079777 1351408206 /nfs/dbraw/zinc/40/82/06/1351408206.db2.gz FCHPSBGJJATYNZ-UHFFFAOYSA-N -1 3 343.372 2.184 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](C2CC2)C2CCOCC2)ccc1-c1nnn[n-]1 ZINC001607080336 1351409443 /nfs/dbraw/zinc/40/94/43/1351409443.db2.gz UVTAGJFTRQNPCD-HNNXBMFYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[C@H]1CCCC[C@H]1O ZINC001607084552 1351411690 /nfs/dbraw/zinc/41/16/90/1351411690.db2.gz MIXQXAMLOGWTOF-ZWNOBZJWSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[C@H]1CCCC[C@H]1O ZINC001607084552 1351411693 /nfs/dbraw/zinc/41/16/93/1351411693.db2.gz MIXQXAMLOGWTOF-ZWNOBZJWSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC001607086265 1351412660 /nfs/dbraw/zinc/41/26/60/1351412660.db2.gz JUCKGQIOHLITFN-MRVPVSSYSA-N -1 3 339.306 2.407 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC001607086265 1351412662 /nfs/dbraw/zinc/41/26/62/1351412662.db2.gz JUCKGQIOHLITFN-MRVPVSSYSA-N -1 3 339.306 2.407 20 5 EEBDHM COc1cc(S(C)(=O)=O)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201225091 1368796081 /nfs/dbraw/zinc/79/60/81/1368796081.db2.gz ZQIVBTHCVWVRQY-UHFFFAOYSA-N -1 3 338.341 2.456 20 5 EEBDHM CC(C)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001125473070 759369623 /nfs/dbraw/zinc/36/96/23/759369623.db2.gz WICGPEAYDVORMR-UHFFFAOYSA-N -1 3 348.403 2.479 20 5 EEBDHM Cc1coc(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001109581922 805713127 /nfs/dbraw/zinc/71/31/27/805713127.db2.gz WFPCHSLCMNKWIY-UHFFFAOYSA-N -1 3 334.332 2.171 20 5 EEBDHM CC(F)(F)C1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094788798 796581731 /nfs/dbraw/zinc/58/17/31/796581731.db2.gz DPIHAJDQXJGUSP-UHFFFAOYSA-N -1 3 344.318 2.049 20 5 EEBDHM O=C(NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccon1 ZINC001094927671 797025066 /nfs/dbraw/zinc/02/50/66/797025066.db2.gz FNWDTXVVSRCTPS-UHFFFAOYSA-N -1 3 349.347 2.086 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826466082 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O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000775911220 577448623 /nfs/dbraw/zinc/44/86/23/577448623.db2.gz LUSJMHBRFHTSOR-ZZXKWVIFSA-N -1 3 341.249 2.061 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775911220 577448624 /nfs/dbraw/zinc/44/86/24/577448624.db2.gz LUSJMHBRFHTSOR-ZZXKWVIFSA-N -1 3 341.249 2.061 20 5 EEBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-]Cc2noc(C3CC3)n2)c1[N+](=O)[O-] ZINC000764177623 577732281 /nfs/dbraw/zinc/73/22/81/577732281.db2.gz ZIDSSIYDXLKTJS-UHFFFAOYSA-N -1 3 349.303 2.176 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](SC)C1 ZINC000742328981 577871143 /nfs/dbraw/zinc/87/11/43/577871143.db2.gz MVPUGXYBRMVJEM-MWLCHTKSSA-N -1 3 346.430 2.166 20 5 EEBDHM COc1ccccc1Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737155099 578241133 /nfs/dbraw/zinc/24/11/33/578241133.db2.gz DBGHRHGPCWQOJC-UHFFFAOYSA-N -1 3 330.329 2.330 20 5 EEBDHM Cc1cc(C)cc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737250116 578246024 /nfs/dbraw/zinc/24/60/24/578246024.db2.gz IJURRYJEKOAHNM-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1cc(C)cc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737250116 578246025 /nfs/dbraw/zinc/24/60/25/578246025.db2.gz IJURRYJEKOAHNM-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000820778941 599254891 /nfs/dbraw/zinc/25/48/91/599254891.db2.gz ZFBRDJJVDWGGFQ-SNVBAGLBSA-N -1 3 337.343 2.294 20 5 EEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000820778941 599254893 /nfs/dbraw/zinc/25/48/93/599254893.db2.gz ZFBRDJJVDWGGFQ-SNVBAGLBSA-N -1 3 337.343 2.294 20 5 EEBDHM COc1ccccc1CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821891250 607344814 /nfs/dbraw/zinc/34/48/14/607344814.db2.gz YIEUPBKZXDJMGO-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820396263 599512206 /nfs/dbraw/zinc/51/22/06/599512206.db2.gz DQUSQKNUPSFSCQ-JTQLQIEISA-N -1 3 338.327 2.266 20 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ZINC000826465539 609619730 /nfs/dbraw/zinc/61/97/30/609619730.db2.gz RCHDNDVINBUVHO-UHFFFAOYSA-N -1 3 349.690 2.378 20 5 EEBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])o1 ZINC000826465539 609619731 /nfs/dbraw/zinc/61/97/31/609619731.db2.gz RCHDNDVINBUVHO-UHFFFAOYSA-N -1 3 349.690 2.378 20 5 EEBDHM COc1cccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1OC ZINC001212844004 1204428900 /nfs/dbraw/zinc/42/89/00/1204428900.db2.gz IHEKAKJVSIHWDY-UHFFFAOYSA-N -1 3 344.283 2.430 20 5 EEBDHM CC/C=C(/C)C(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095852529 1211503796 /nfs/dbraw/zinc/50/37/96/1211503796.db2.gz NBRGUVWGJGWWLJ-GHXNOFRVSA-N -1 3 336.392 2.384 20 5 EEBDHM Cc1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001046277737 1234623565 /nfs/dbraw/zinc/62/35/65/1234623565.db2.gz JVPHTUUYMDFEKT-PHIMTYICSA-N -1 3 346.343 2.217 20 5 EEBDHM CCCc1occc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101693029 1246133905 /nfs/dbraw/zinc/13/39/05/1246133905.db2.gz RQPLNRZHBHQCQT-UHFFFAOYSA-N -1 3 348.359 2.425 20 5 EEBDHM COC(=O)c1cccc2[n-]c(NC(=O)CCC(C)(C)[N+](=O)[O-])nc21 ZINC000827142659 1250255907 /nfs/dbraw/zinc/25/59/07/1250255907.db2.gz OACCWRLBANIFKY-UHFFFAOYSA-N -1 3 334.332 2.124 20 5 EEBDHM CC(C)CC(=O)N1CCC(N(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001068638060 1251441465 /nfs/dbraw/zinc/44/14/65/1251441465.db2.gz IASRFYYVVNBYGH-UHFFFAOYSA-N -1 3 336.392 2.169 20 5 EEBDHM CCC(=O)NCc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001098662509 1257746845 /nfs/dbraw/zinc/74/68/45/1257746845.db2.gz XJKFPGAQXPGABL-UHFFFAOYSA-N -1 3 344.371 2.376 20 5 EEBDHM O=c1cc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)nc(C2CC2)[n-]1 ZINC001213261254 1295952407 /nfs/dbraw/zinc/95/24/07/1295952407.db2.gz LBWYUFWJELNXJK-UHFFFAOYSA-N -1 3 344.262 2.219 20 5 EEBDHM Cc1cccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1F ZINC001101999442 1300119146 /nfs/dbraw/zinc/11/91/46/1300119146.db2.gz CQSHCBTWHRYWEY-UHFFFAOYSA-N -1 3 348.334 2.327 20 5 EEBDHM CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102184999 1300522419 /nfs/dbraw/zinc/52/24/19/1300522419.db2.gz CSPLZCCTVNJQFA-BETUJISGSA-N -1 3 348.403 2.455 20 5 EEBDHM COCC1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCC1 ZINC001309676069 1331638624 /nfs/dbraw/zinc/63/86/24/1331638624.db2.gz SLZYYKVTNCXUMX-UHFFFAOYSA-N -1 3 346.380 2.280 20 5 EEBDHM CC(C)Cn1cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001609097168 1351841657 /nfs/dbraw/zinc/84/16/57/1351841657.db2.gz FMOSUPPCNBJLHQ-UHFFFAOYSA-N -1 3 328.336 2.371 20 5 EEBDHM CC(C)Cn1cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001609097168 1351841659 /nfs/dbraw/zinc/84/16/59/1351841659.db2.gz FMOSUPPCNBJLHQ-UHFFFAOYSA-N -1 3 328.336 2.371 20 5 EEBDHM C[C@H]1C[C@@H](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609156422 1351866696 /nfs/dbraw/zinc/86/66/96/1351866696.db2.gz HRRJSWNGMFETSE-QWRGUYRKSA-N -1 3 332.364 2.392 20 5 EEBDHM CCC[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OCC ZINC001609205608 1351890699 /nfs/dbraw/zinc/89/06/99/1351890699.db2.gz RMQJFSPJTBJSME-LLVKDONJSA-N -1 3 348.363 2.166 20 5 EEBDHM CCC[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OCC ZINC001609205608 1351890700 /nfs/dbraw/zinc/89/07/00/1351890700.db2.gz RMQJFSPJTBJSME-LLVKDONJSA-N -1 3 348.363 2.166 20 5 EEBDHM Cc1cnc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001609439965 1351977587 /nfs/dbraw/zinc/97/75/87/1351977587.db2.gz PSJFCAVQBYWJTE-ZETCQYMHSA-N -1 3 346.376 2.150 20 5 EEBDHM Cc1cnc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001609439965 1351977589 /nfs/dbraw/zinc/97/75/89/1351977589.db2.gz PSJFCAVQBYWJTE-ZETCQYMHSA-N -1 3 346.376 2.150 20 5 EEBDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccccc2[N+](=O)[O-])n1 ZINC001609449066 1351982597 /nfs/dbraw/zinc/98/25/97/1351982597.db2.gz KXFCTSBJQDNWFO-UHFFFAOYSA-N -1 3 343.372 2.474 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001610526079 1352238999 /nfs/dbraw/zinc/23/89/99/1352238999.db2.gz DHGFJBAILBDUHA-HWWQOWPSSA-N -1 3 347.371 2.027 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001582804424 1344793307 /nfs/dbraw/zinc/79/33/07/1344793307.db2.gz SLEMTPWKMGXCEF-POYBYMJQSA-N -1 3 328.254 2.385 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001582804424 1344793312 /nfs/dbraw/zinc/79/33/12/1344793312.db2.gz SLEMTPWKMGXCEF-POYBYMJQSA-N -1 3 328.254 2.385 20 5 EEBDHM CC(C)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589738962 1349026570 /nfs/dbraw/zinc/02/65/70/1349026570.db2.gz ALGMLIAIAVHNCH-LBPRGKRZSA-N -1 3 332.364 2.169 20 5 EEBDHM C[C@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133919 1349168867 /nfs/dbraw/zinc/16/88/67/1349168867.db2.gz JGMVDEBAOXJQJM-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001590133919 1349168879 /nfs/dbraw/zinc/16/88/79/1349168879.db2.gz JGMVDEBAOXJQJM-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM COC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591351554 1349468490 /nfs/dbraw/zinc/46/84/90/1349468490.db2.gz NTDMRARRIXLLMB-UHFFFAOYSA-N -1 3 332.364 2.453 20 5 EEBDHM COC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591351554 1349468493 /nfs/dbraw/zinc/46/84/93/1349468493.db2.gz NTDMRARRIXLLMB-UHFFFAOYSA-N -1 3 332.364 2.453 20 5 EEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)n1 ZINC001592068278 1349587795 /nfs/dbraw/zinc/58/77/95/1349587795.db2.gz AULXIICZUQAZMX-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)n1 ZINC001592068278 1349587797 /nfs/dbraw/zinc/58/77/97/1349587797.db2.gz AULXIICZUQAZMX-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccoc1CN(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592282161 1349616376 /nfs/dbraw/zinc/61/63/76/1349616376.db2.gz OQCQFOYJXAVGAZ-UHFFFAOYSA-N -1 3 328.332 2.308 20 5 EEBDHM Cc1ccoc1CN(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592282161 1349616377 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EEBDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)(F)F ZINC001603038082 1350625210 /nfs/dbraw/zinc/62/52/10/1350625210.db2.gz ZFDGHVXHTFUYIF-ZCFIWIBFSA-N -1 3 345.237 2.017 20 5 EEBDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)(F)F ZINC001603038082 1350625216 /nfs/dbraw/zinc/62/52/16/1350625216.db2.gz ZFDGHVXHTFUYIF-ZCFIWIBFSA-N -1 3 345.237 2.017 20 5 EEBDHM CC1(C)CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C(C)(C)CO1 ZINC001603785490 1350767438 /nfs/dbraw/zinc/76/74/38/1350767438.db2.gz BPPVQMBROOHGEU-UHFFFAOYSA-N -1 3 346.391 2.164 20 5 EEBDHM CC1(C)CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C(C)(C)CO1 ZINC001603785490 1350767442 /nfs/dbraw/zinc/76/74/42/1350767442.db2.gz BPPVQMBROOHGEU-UHFFFAOYSA-N -1 3 346.391 2.164 20 5 EEBDHM CC[C@@H](C)[C@](C)(O)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603998849 1350825896 /nfs/dbraw/zinc/82/58/96/1350825896.db2.gz SUVUVYNWJLFTCE-XLKFXECMSA-N -1 3 338.343 2.123 20 5 EEBDHM CC[C@@H](C)[C@](C)(O)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] 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O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001607076978 1351407260 /nfs/dbraw/zinc/40/72/60/1351407260.db2.gz DVEFKNIKKRNESD-UINNMSKDSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001607076978 1351407261 /nfs/dbraw/zinc/40/72/61/1351407261.db2.gz DVEFKNIKKRNESD-UINNMSKDSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC(F)(F)Br ZINC001607084196 1351408557 /nfs/dbraw/zinc/40/85/57/1351408557.db2.gz UWAMHRSIHMAQDW-UHFFFAOYSA-N -1 3 349.095 2.175 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC(F)(F)Br ZINC001607084196 1351408561 /nfs/dbraw/zinc/40/85/61/1351408561.db2.gz UWAMHRSIHMAQDW-UHFFFAOYSA-N -1 3 349.095 2.175 20 5 EEBDHM O=[N+]([O-])c1cc(Nc2cccc(-n3ccnn3)c2)ccc1-c1nnn[n-]1 ZINC001607079534 1351408814 /nfs/dbraw/zinc/40/88/14/1351408814.db2.gz JNGIMLYGKPRVHI-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(c2ncco2)CC1 ZINC001607083395 1351411011 /nfs/dbraw/zinc/41/10/11/1351411011.db2.gz DPUUJNMXHKWTLF-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(c2ncco2)CC1 ZINC001607083395 1351411014 /nfs/dbraw/zinc/41/10/14/1351411014.db2.gz DPUUJNMXHKWTLF-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(Cc2ccoc2)C1 ZINC001607083068 1351411246 /nfs/dbraw/zinc/41/12/46/1351411246.db2.gz VWBQSHPIWAFCHC-UHFFFAOYSA-N -1 3 326.316 2.047 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(Cc2ccoc2)C1 ZINC001607083068 1351411247 /nfs/dbraw/zinc/41/12/47/1351411247.db2.gz VWBQSHPIWAFCHC-UHFFFAOYSA-N -1 3 326.316 2.047 20 5 EEBDHM CC(C)(C)OC(=O)N[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000853465875 1369337304 /nfs/dbraw/zinc/33/73/04/1369337304.db2.gz YQKGSSWSFSZBKP-NSHDSACASA-N -1 3 338.364 2.411 20 5 EEBDHM C[C@H]1Cc2cc(Nc3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc2O1 ZINC001576381905 1403568663 /nfs/dbraw/zinc/56/86/63/1403568663.db2.gz BJGBFUIYTYAIKW-QMMMGPOBSA-N -1 3 339.315 2.237 20 5 EEBDHM C[C@H]1Cc2cc(Nc3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc2O1 ZINC001576381905 1403568670 /nfs/dbraw/zinc/56/86/70/1403568670.db2.gz BJGBFUIYTYAIKW-QMMMGPOBSA-N -1 3 339.315 2.237 20 5 EEBDHM COc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591650494 1403935351 /nfs/dbraw/zinc/93/53/51/1403935351.db2.gz TYSJUTITRZNESO-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591650494 1403935360 /nfs/dbraw/zinc/93/53/60/1403935360.db2.gz TYSJUTITRZNESO-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000780865246 760260616 /nfs/dbraw/zinc/26/06/16/760260616.db2.gz FLSHXFMFALMDHE-SNVBAGLBSA-N -1 3 347.824 2.011 20 5 EEBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000820218511 785848441 /nfs/dbraw/zinc/84/84/41/785848441.db2.gz LONFFGSUYUJLTB-UHFFFAOYSA-N -1 3 343.255 2.337 20 5 EEBDHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000786030761 806671012 /nfs/dbraw/zinc/67/10/12/806671012.db2.gz BFKOQUYZCUVBBU-UHFFFAOYSA-N -1 3 329.268 2.465 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[n-]1 ZINC000793963941 810605969 /nfs/dbraw/zinc/60/59/69/810605969.db2.gz NYMYLVRPYMONID-UHFFFAOYSA-N -1 3 338.707 2.400 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c[n-]1 ZINC000793963941 810605977 /nfs/dbraw/zinc/60/59/77/810605977.db2.gz NYMYLVRPYMONID-UHFFFAOYSA-N -1 3 338.707 2.400 20 5 EEBDHM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC001593298391 994713936 /nfs/dbraw/zinc/71/39/36/994713936.db2.gz JLJYHDLADYKBCG-JTQLQIEISA-N -1 3 347.327 2.010 20 5 EEBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000056124827 214360280 /nfs/dbraw/zinc/36/02/80/214360280.db2.gz YZSCHZUUJBLEDZ-UHFFFAOYSA-N -1 3 346.286 2.491 20 5 EEBDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000098039122 219073633 /nfs/dbraw/zinc/07/36/33/219073633.db2.gz XDIJLSIUXNJPMX-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000067432519 215144873 /nfs/dbraw/zinc/14/48/73/215144873.db2.gz WZXWEXGFUBDVET-UHFFFAOYSA-N -1 3 346.286 2.491 20 5 EEBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000225771053 535273544 /nfs/dbraw/zinc/27/35/44/535273544.db2.gz BTNFPUZZAPDURJ-UHFFFAOYSA-N -1 3 336.797 2.076 20 5 EEBDHM COCC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000452056493 243337795 /nfs/dbraw/zinc/33/77/95/243337795.db2.gz WRNBBZWJRPAVMZ-UHFFFAOYSA-N -1 3 342.417 2.388 20 5 EEBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000452062336 243339973 /nfs/dbraw/zinc/33/99/73/243339973.db2.gz SANXBPVGEBBSRN-DGCLKSJQSA-N -1 3 328.390 2.139 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160190280 533143873 /nfs/dbraw/zinc/14/38/73/533143873.db2.gz CTRHNPRKLXPPCF-UHFFFAOYSA-N -1 3 326.374 2.072 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c1C ZINC000271301395 256231036 /nfs/dbraw/zinc/23/10/36/256231036.db2.gz WFEJKGNPWHFJFC-DGCLKSJQSA-N -1 3 342.417 2.305 20 5 EEBDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000104367665 159285211 /nfs/dbraw/zinc/28/52/11/159285211.db2.gz PQPFSFSTNKLYBQ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000104367665 159285214 /nfs/dbraw/zinc/28/52/14/159285214.db2.gz PQPFSFSTNKLYBQ-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCCO2)c1C ZINC000120212131 159389213 /nfs/dbraw/zinc/38/92/13/159389213.db2.gz PKRRGGIWAMYZJZ-YPMHNXCESA-N -1 3 342.417 2.448 20 5 EEBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000186478727 160071614 /nfs/dbraw/zinc/07/16/14/160071614.db2.gz DGGGRMPUTGJABM-SECBINFHSA-N -1 3 341.414 2.442 20 5 EEBDHM CC(=O)Nc1ccc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000342522586 161071335 /nfs/dbraw/zinc/07/13/35/161071335.db2.gz GRCKKRIYVPGWGR-UHFFFAOYSA-N -1 3 330.300 2.215 20 5 EEBDHM Cc1nc(C)c(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)c(=O)[n-]1 ZINC000355663573 163263665 /nfs/dbraw/zinc/26/36/65/163263665.db2.gz ARORJWYVPAXUKK-UHFFFAOYSA-N -1 3 341.327 2.272 20 5 EEBDHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000359639083 164143210 /nfs/dbraw/zinc/14/32/10/164143210.db2.gz SQUZJOSHPKOUMT-UHFFFAOYSA-N -1 3 337.357 2.421 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000364499973 165160468 /nfs/dbraw/zinc/16/04/68/165160468.db2.gz IKTZOIRWYSWHKM-GXTWGEPZSA-N -1 3 340.401 2.057 20 5 EEBDHM O=C(Nc1ccccc1-n1ccnn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000157852544 292573784 /nfs/dbraw/zinc/57/37/84/292573784.db2.gz RBNZSICCGFYWPL-UHFFFAOYSA-N -1 3 349.310 2.304 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000158503191 225029509 /nfs/dbraw/zinc/02/95/09/225029509.db2.gz UZTOERDVOYZPND-GFCCVEGCSA-N 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CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000341228346 465067648 /nfs/dbraw/zinc/06/76/48/465067648.db2.gz LKHARNOVCHBIRJ-JSGCOSHPSA-N -1 3 342.417 2.305 20 5 EEBDHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000155732834 462935651 /nfs/dbraw/zinc/93/56/51/462935651.db2.gz COUCCZJIMIOCMO-UHFFFAOYSA-N -1 3 342.398 2.186 20 5 EEBDHM COc1cc(OCC(=O)Nc2cccc([O-])c2F)ccc1[N+](=O)[O-] ZINC000536465188 468351932 /nfs/dbraw/zinc/35/19/32/468351932.db2.gz ZIUAWWZKIIRREF-UHFFFAOYSA-N -1 3 336.275 2.466 20 5 EEBDHM CCOCCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000193814790 463744146 /nfs/dbraw/zinc/74/41/46/463744146.db2.gz WISLSFMDWTUJJO-UHFFFAOYSA-N -1 3 330.406 2.307 20 5 EEBDHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000182428670 464652373 /nfs/dbraw/zinc/65/23/73/464652373.db2.gz PLZPRJHPZXPZQP-UHFFFAOYSA-N -1 3 330.344 2.175 20 5 EEBDHM CSc1nnc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000348733847 465761197 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EEBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000353813317 466168878 /nfs/dbraw/zinc/16/88/78/466168878.db2.gz ILGFPBGQRRMWNK-UHFFFAOYSA-N -1 3 342.417 2.387 20 5 EEBDHM C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331868391 466283156 /nfs/dbraw/zinc/28/31/56/466283156.db2.gz GJJPZQKAQKNZRN-XIRDDKMYSA-N -1 3 336.388 2.052 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)F ZINC000451087346 467244619 /nfs/dbraw/zinc/24/46/19/467244619.db2.gz UUWFTINNXURDSW-SECBINFHSA-N -1 3 345.327 2.465 20 5 EEBDHM Cc1ccccc1-c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000445189131 467584353 /nfs/dbraw/zinc/58/43/53/467584353.db2.gz VAUQOIPYWGNOOT-UHFFFAOYSA-N -1 3 339.311 2.646 20 5 EEBDHM C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1C1CC1 ZINC000518773872 468126171 /nfs/dbraw/zinc/12/61/71/468126171.db2.gz NUGBSZXYGJWUGX-PSASIEDQSA-N -1 3 339.779 2.309 20 5 EEBDHM CSCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594753456 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COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001610214251 1352187373 /nfs/dbraw/zinc/18/73/73/1352187373.db2.gz PEWQGGOSLSOLGD-IINYFYTJSA-N -1 3 336.344 2.067 20 5 EEBDHM CCN(CCNC(=O)C1CCC=CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100535516 1338480686 /nfs/dbraw/zinc/48/06/86/1338480686.db2.gz HGOKWKFBBZXFPW-UHFFFAOYSA-N -1 3 348.403 2.384 20 5 EEBDHM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001610738199 1352267070 /nfs/dbraw/zinc/26/70/70/1352267070.db2.gz VLEBZTSXHYWNRF-GXTWGEPZSA-N -1 3 346.339 2.122 20 5 EEBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC001590046746 1349128032 /nfs/dbraw/zinc/12/80/32/1349128032.db2.gz NSFYNWWWGUPMPQ-NSHDSACASA-N -1 3 339.359 2.363 20 5 EEBDHM CCn1ccnc1[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590960488 1349423588 /nfs/dbraw/zinc/42/35/88/1349423588.db2.gz LCWNYCGJRFCJGY-SECBINFHSA-N -1 3 328.336 2.164 20 5 EEBDHM CCn1ccnc1[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590960488 1349423592 /nfs/dbraw/zinc/42/35/92/1349423592.db2.gz LCWNYCGJRFCJGY-SECBINFHSA-N -1 3 328.336 2.164 20 5 EEBDHM COc1ccc(OCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591621194 1349516970 /nfs/dbraw/zinc/51/69/70/1349516970.db2.gz JPBMAEVGYMUQHC-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(OCc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591621194 1349516978 /nfs/dbraw/zinc/51/69/78/1349516978.db2.gz JPBMAEVGYMUQHC-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CC1(Cl)Cl ZINC001593470765 1349805510 /nfs/dbraw/zinc/80/55/10/1349805510.db2.gz KYTPSSDCUQWOEC-ZETCQYMHSA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CC1(Cl)Cl ZINC001593470765 1349805513 /nfs/dbraw/zinc/80/55/13/1349805513.db2.gz KYTPSSDCUQWOEC-ZETCQYMHSA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCc1ccccc1Cl ZINC001593470711 1349805720 /nfs/dbraw/zinc/80/57/20/1349805720.db2.gz KYVWTRVZLDTIPT-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCc1ccccc1Cl ZINC001593470711 1349805725 /nfs/dbraw/zinc/80/57/25/1349805725.db2.gz KYVWTRVZLDTIPT-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC2(C1)CCCCC2 ZINC001593471838 1349807424 /nfs/dbraw/zinc/80/74/24/1349807424.db2.gz ZPSHIZYKEVHOBO-UHFFFAOYSA-N -1 3 329.364 2.331 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC2(C1)CCCCC2 ZINC001593471838 1349807425 /nfs/dbraw/zinc/80/74/25/1349807425.db2.gz ZPSHIZYKEVHOBO-UHFFFAOYSA-N -1 3 329.364 2.331 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@H]1CCCC[C@H]1O ZINC001593474354 1349808049 /nfs/dbraw/zinc/80/80/49/1349808049.db2.gz DGYCBKPSGZEEQQ-QMTHXVAHSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@H]1CCCC[C@H]1O ZINC001593474354 1349808053 /nfs/dbraw/zinc/80/80/53/1349808053.db2.gz DGYCBKPSGZEEQQ-QMTHXVAHSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@H]2CCC3(CCC3)O2)ccc1-c1nnn[n-]1 ZINC001593473427 1349808568 /nfs/dbraw/zinc/80/85/68/1349808568.db2.gz CBYMRQUEFIKMSI-LLVKDONJSA-N -1 3 330.348 2.289 20 5 EEBDHM CC(C)[C@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001603386761 1350699477 /nfs/dbraw/zinc/69/94/77/1350699477.db2.gz SSXYAZWUERTWPB-NSHDSACASA-N -1 3 344.297 2.451 20 5 EEBDHM CC(C)[C@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001603386761 1350699481 /nfs/dbraw/zinc/69/94/81/1350699481.db2.gz SSXYAZWUERTWPB-NSHDSACASA-N -1 3 344.297 2.451 20 5 EEBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC001603939303 1350807914 /nfs/dbraw/zinc/80/79/14/1350807914.db2.gz LBESYVXLTYQPRS-VIFPVBQESA-N -1 3 331.380 2.230 20 5 EEBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC001603939303 1350807917 /nfs/dbraw/zinc/80/79/17/1350807917.db2.gz LBESYVXLTYQPRS-VIFPVBQESA-N -1 3 331.380 2.230 20 5 EEBDHM CCOc1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604472253 1350945057 /nfs/dbraw/zinc/94/50/57/1350945057.db2.gz AFXLRKPQYUNJDP-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM CCOc1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604472253 1350945060 /nfs/dbraw/zinc/94/50/60/1350945060.db2.gz AFXLRKPQYUNJDP-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM Cc1cc(NC[C@@]2(O)CCCC2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605732583 1351220039 /nfs/dbraw/zinc/22/00/39/1351220039.db2.gz ZUSFWWVUBABHLF-INIZCTEOSA-N -1 3 346.391 2.436 20 5 EEBDHM Cc1cc(NC[C@@]2(O)CCCC2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605732583 1351220041 /nfs/dbraw/zinc/22/00/41/1351220041.db2.gz ZUSFWWVUBABHLF-INIZCTEOSA-N -1 3 346.391 2.436 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CC=CCC1 ZINC001606977231 1351390071 /nfs/dbraw/zinc/39/00/71/1351390071.db2.gz LOBMXCIGINXWLU-JTQLQIEISA-N -1 3 329.316 2.174 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CC=CCC1 ZINC001606977231 1351390076 /nfs/dbraw/zinc/39/00/76/1351390076.db2.gz LOBMXCIGINXWLU-JTQLQIEISA-N -1 3 329.316 2.174 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cscc1-c1nnn[n-]1 ZINC001606978684 1351390951 /nfs/dbraw/zinc/39/09/51/1351390951.db2.gz FXZQNULFKKCHJY-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cscc1-c1nn[n-]n1 ZINC001606978684 1351390955 /nfs/dbraw/zinc/39/09/55/1351390955.db2.gz FXZQNULFKKCHJY-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001606988922 1351393728 /nfs/dbraw/zinc/39/37/28/1351393728.db2.gz BXPPPRFFSMBGJU-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001606988922 1351393730 /nfs/dbraw/zinc/39/37/30/1351393730.db2.gz BXPPPRFFSMBGJU-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001607077385 1351407250 /nfs/dbraw/zinc/40/72/50/1351407250.db2.gz MKQHFPOPRPTERT-JTQLQIEISA-N -1 3 342.281 2.159 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001607077385 1351407251 /nfs/dbraw/zinc/40/72/51/1351407251.db2.gz MKQHFPOPRPTERT-JTQLQIEISA-N -1 3 342.281 2.159 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H](C2CCC2)[C@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001607079628 1351408460 /nfs/dbraw/zinc/40/84/60/1351408460.db2.gz KGMQEWISEYTEPU-XHDPSFHLSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC001607080110 1351409365 /nfs/dbraw/zinc/40/93/65/1351409365.db2.gz IIEXGKGPYNQWKN-YPMHNXCESA-N -1 3 337.343 2.213 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@H]1Cc1ccccc1 ZINC001607080110 1351409368 /nfs/dbraw/zinc/40/93/68/1351409368.db2.gz IIEXGKGPYNQWKN-YPMHNXCESA-N -1 3 337.343 2.213 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCc2cc(F)ccc21 ZINC001607080841 1351409589 /nfs/dbraw/zinc/40/95/89/1351409589.db2.gz RCWLWIRCXVLRIT-LBPRGKRZSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCc2cc(F)ccc21 ZINC001607080841 1351409590 /nfs/dbraw/zinc/40/95/90/1351409590.db2.gz RCWLWIRCXVLRIT-LBPRGKRZSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001607082592 1351410317 /nfs/dbraw/zinc/41/03/17/1351410317.db2.gz RPOBKWIQNRABLJ-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001094282668 1368120859 /nfs/dbraw/zinc/12/08/59/1368120859.db2.gz AACAEACWBSFPIW-UHFFFAOYSA-N -1 3 334.307 2.067 20 5 EEBDHM COc1ccc(C2=NO[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000853574776 1369352602 /nfs/dbraw/zinc/35/26/02/1369352602.db2.gz QEVVIOFLYKGQJT-LBPRGKRZSA-N -1 3 344.327 2.309 20 5 EEBDHM COC(=O)[C@]1(c2ccccc2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853643272 1369362787 /nfs/dbraw/zinc/36/27/87/1369362787.db2.gz RVCXPUAMLIPTSL-QGZVFWFLSA-N -1 3 343.339 2.017 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c(Cl)c1 ZINC000780900728 1371173236 /nfs/dbraw/zinc/17/32/36/1371173236.db2.gz GWUTUTPAHQNFJJ-SNVBAGLBSA-N -1 3 332.765 2.219 20 5 EEBDHM CCOC(=O)C[C@H](C)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590761302 1403900091 /nfs/dbraw/zinc/90/00/91/1403900091.db2.gz WYMBNIWEPJBTLA-QMMMGPOBSA-N -1 3 337.361 2.209 20 5 EEBDHM CCOC(=O)C[C@H](C)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590761302 1403900097 /nfs/dbraw/zinc/90/00/97/1403900097.db2.gz WYMBNIWEPJBTLA-QMMMGPOBSA-N -1 3 337.361 2.209 20 5 EEBDHM Cc1nc(C)c(CC(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c(=O)[n-]1 ZINC000782852605 761942186 /nfs/dbraw/zinc/94/21/86/761942186.db2.gz PQMOXHQWNBVXKG-UHFFFAOYSA-N -1 3 335.291 2.132 20 5 EEBDHM CCC(=CC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001105360368 779672451 /nfs/dbraw/zinc/67/24/51/779672451.db2.gz XLPXGLUOJXSUOK-UHFFFAOYSA-N -1 3 336.392 2.336 20 5 EEBDHM CCc1cccc(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093951417 795808984 /nfs/dbraw/zinc/80/89/84/795808984.db2.gz PTYNJJWPXXZELO-UHFFFAOYSA-N -1 3 344.371 2.029 20 5 EEBDHM O=C([O-])[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC001594953553 954968302 /nfs/dbraw/zinc/96/83/02/954968302.db2.gz KNUZECYNLWKQGZ-SJORKVTESA-N -1 3 342.351 2.312 20 5 EEBDHM CC([C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001589554044 987296746 /nfs/dbraw/zinc/29/67/46/987296746.db2.gz VVICHUFFJWEUHT-ORXSELOVSA-N -1 3 325.292 2.186 20 5 EEBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000204392840 539656809 /nfs/dbraw/zinc/65/68/09/539656809.db2.gz BPRPQYOKPNCCNE-CQSZACIVSA-N -1 3 332.337 2.201 20 5 EEBDHM CC[C@](C)(C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])OC ZINC000451792296 243262977 /nfs/dbraw/zinc/26/29/77/243262977.db2.gz AVMRXLYELIFDFF-CQSZACIVSA-N -1 3 330.406 2.305 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1C ZINC000268877772 252326156 /nfs/dbraw/zinc/32/61/56/252326156.db2.gz QPBKHBVYIFJNPW-LBPRGKRZSA-N -1 3 328.390 2.059 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1C ZINC000249787135 292291899 /nfs/dbraw/zinc/29/18/99/292291899.db2.gz 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EEBDHM CSCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826229251 607894807 /nfs/dbraw/zinc/89/48/07/607894807.db2.gz WKKLMVXBJUTVDR-UHFFFAOYSA-N -1 3 331.361 2.098 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccccc1F ZINC001059125644 682409589 /nfs/dbraw/zinc/40/95/89/682409589.db2.gz JYPPGQBWXNVAIR-MGCOHNPYSA-N -1 3 346.318 2.207 20 5 EEBDHM COc1cc([C@H]2NC(=O)c3cccc(C)c3N2)c([N+](=O)[O-])cc1[O-] ZINC000027578290 692668867 /nfs/dbraw/zinc/66/88/67/692668867.db2.gz FZLSLACMMPGBIR-OAHLLOKOSA-N -1 3 329.312 2.472 20 5 EEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000697956664 1188753760 /nfs/dbraw/zinc/75/37/60/1188753760.db2.gz GKQCFXCBDLHRPK-UHFFFAOYSA-N -1 3 328.724 2.490 20 5 EEBDHM CCCC1(C(=O)NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001095446514 1205766372 /nfs/dbraw/zinc/76/63/72/1205766372.db2.gz VRNYOKZWKSMGEO-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001212936983 1214667567 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O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccsc2)c(-c2nn[n-]n2)c1 ZINC001582805037 1344792634 /nfs/dbraw/zinc/79/26/34/1344792634.db2.gz WSNLZANUIOULOY-GXSJLCMTSA-N -1 3 329.345 2.199 20 5 EEBDHM CC(C)[C@H](F)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001589466682 1348992269 /nfs/dbraw/zinc/99/22/69/1348992269.db2.gz KODXOPDNMRORPW-JTQLQIEISA-N -1 3 342.718 2.361 20 5 EEBDHM CC(C)[C@H](F)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001589466682 1348992274 /nfs/dbraw/zinc/99/22/74/1348992274.db2.gz KODXOPDNMRORPW-JTQLQIEISA-N -1 3 342.718 2.361 20 5 EEBDHM CC1(C)CCC[C@@]1(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590096616 1349151850 /nfs/dbraw/zinc/15/18/50/1349151850.db2.gz IDNGDQNGIYCFTL-OAHLLOKOSA-N -1 3 332.364 2.128 20 5 EEBDHM CC1(C)CCC[C@@]1(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590096616 1349151855 /nfs/dbraw/zinc/15/18/55/1349151855.db2.gz IDNGDQNGIYCFTL-OAHLLOKOSA-N -1 3 332.364 2.128 20 5 EEBDHM Cc1csc([C@H](C)NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592313401 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Cc1cc(NC[C@H]2CCC[C@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044771 1349587376 /nfs/dbraw/zinc/58/73/76/1349587376.db2.gz RSMFHIVTOKQBDA-QWRGUYRKSA-N -1 3 332.364 2.046 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCCCS1 ZINC001593295857 1349770926 /nfs/dbraw/zinc/77/09/26/1349770926.db2.gz FTNRFAAPBHBGRD-GFCCVEGCSA-N -1 3 349.372 2.104 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCCCS1 ZINC001593295857 1349770928 /nfs/dbraw/zinc/77/09/28/1349770928.db2.gz FTNRFAAPBHBGRD-GFCCVEGCSA-N -1 3 349.372 2.104 20 5 EEBDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=Cc1ccccc1[N+](=O)[O-] ZINC001593411920 1349798350 /nfs/dbraw/zinc/79/83/50/1349798350.db2.gz RBXVMGICDFFPDO-GHXNOFRVSA-N -1 3 334.295 2.268 20 5 EEBDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=Cc1ccccc1[N+](=O)[O-] ZINC001593411920 1349798351 /nfs/dbraw/zinc/79/83/51/1349798351.db2.gz RBXVMGICDFFPDO-GHXNOFRVSA-N -1 3 334.295 2.268 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2C[C@H]2c2cccnc2)ccc1-c1nnn[n-]1 ZINC001593473505 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327.768 2.009 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC001606974432 1351389130 /nfs/dbraw/zinc/38/91/30/1351389130.db2.gz GRZWMWSMMPZPPW-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC001606974432 1351389131 /nfs/dbraw/zinc/38/91/31/1351389131.db2.gz GRZWMWSMMPZPPW-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=[N+]([O-])c1cnc(Sc2cccc(-c3nnn[n-]3)c2Cl)nc1 ZINC001607085656 1351411736 /nfs/dbraw/zinc/41/17/36/1351411736.db2.gz IXIQNLMPTSISOO-UHFFFAOYSA-N -1 3 335.736 2.370 20 5 EEBDHM O=[N+]([O-])c1cnc(Sc2cccc(-c3nn[n-]n3)c2Cl)nc1 ZINC001607085656 1351411737 /nfs/dbraw/zinc/41/17/37/1351411737.db2.gz IXIQNLMPTSISOO-UHFFFAOYSA-N -1 3 335.736 2.370 20 5 EEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000851821773 1369247737 /nfs/dbraw/zinc/24/77/37/1369247737.db2.gz ZRGKOLVJEVDTNJ-LLVKDONJSA-N -1 3 347.824 2.011 20 5 EEBDHM Cc1cc(N2CCSC[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592009286 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348.403 2.074 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001112019962 764767287 /nfs/dbraw/zinc/76/72/87/764767287.db2.gz DGOWJSDYLWCGDO-UHFFFAOYSA-N -1 3 344.371 2.294 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(F)F ZINC001106891247 769259595 /nfs/dbraw/zinc/25/95/95/769259595.db2.gz CUNZGLKPRHSATM-UHFFFAOYSA-N -1 3 332.307 2.001 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C(C)C)CC1 ZINC001106940797 779290169 /nfs/dbraw/zinc/29/01/69/779290169.db2.gz KATWBQFZBNATFB-UHFFFAOYSA-N -1 3 336.392 2.392 20 5 EEBDHM CC/C(C)=C/C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091452410 790912722 /nfs/dbraw/zinc/91/27/22/790912722.db2.gz LXOLQGHCNTYRNP-FRVXUUQDSA-N -1 3 334.376 2.358 20 5 EEBDHM C[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824722055 788287844 /nfs/dbraw/zinc/28/78/44/788287844.db2.gz FVFOAXIMAZYMAY-QMMMGPOBSA-N -1 3 328.288 2.021 20 5 EEBDHM C[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] 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O=C(Nc1ccccc1)N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596227219 469212779 /nfs/dbraw/zinc/21/27/79/469212779.db2.gz OWDDNRFANBVFOI-GFCCVEGCSA-N -1 3 343.343 2.414 20 5 EEBDHM COC(=O)c1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000596246223 469219612 /nfs/dbraw/zinc/21/96/12/469219612.db2.gz HOZBWFAWQBKYAO-UHFFFAOYSA-N -1 3 347.327 2.145 20 5 EEBDHM C[C@@H](CN(C)c1ccc(Br)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000132913513 533750484 /nfs/dbraw/zinc/75/04/84/533750484.db2.gz LJJLOJDEVXWNSC-ZETCQYMHSA-N -1 3 341.169 2.110 20 5 EEBDHM C[C@@H](CN(C)c1ccc(Br)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000132913513 533750487 /nfs/dbraw/zinc/75/04/87/533750487.db2.gz LJJLOJDEVXWNSC-ZETCQYMHSA-N -1 3 341.169 2.110 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738152369 578001325 /nfs/dbraw/zinc/00/13/25/578001325.db2.gz XDVBKNTZKPKANE-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738152369 578001326 /nfs/dbraw/zinc/00/13/26/578001326.db2.gz XDVBKNTZKPKANE-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=[N+]([O-])c1ccccc1OCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738368092 578011080 /nfs/dbraw/zinc/01/10/80/578011080.db2.gz DTUAAFZHRHSNAR-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccccc1OCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738368092 578011081 /nfs/dbraw/zinc/01/10/81/578011081.db2.gz DTUAAFZHRHSNAR-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM COc1cc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])cc1OC ZINC000775541456 577439249 /nfs/dbraw/zinc/43/92/49/577439249.db2.gz BEWOQDXIXXVSJK-UHFFFAOYSA-N -1 3 347.253 2.361 20 5 EEBDHM COc1cc(NCc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC ZINC000775541456 577439250 /nfs/dbraw/zinc/43/92/50/577439250.db2.gz BEWOQDXIXXVSJK-UHFFFAOYSA-N -1 3 347.253 2.361 20 5 EEBDHM COc1cc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])cc1OC ZINC000775541456 577439251 /nfs/dbraw/zinc/43/92/51/577439251.db2.gz BEWOQDXIXXVSJK-UHFFFAOYSA-N -1 3 347.253 2.361 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)cs1 ZINC000768806713 577562922 /nfs/dbraw/zinc/56/29/22/577562922.db2.gz WBVHXASODSMVOB-UHFFFAOYSA-N -1 3 346.361 2.153 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)cs1 ZINC000768805385 577562934 /nfs/dbraw/zinc/56/29/34/577562934.db2.gz KNTQXJJRJRIXNT-RXMQYKEDSA-N -1 3 331.202 2.128 20 5 EEBDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000768881020 577564859 /nfs/dbraw/zinc/56/48/59/577564859.db2.gz DISZRPAZPCMJIR-ONGXEEELSA-N -1 3 334.419 2.138 20 5 EEBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(Cl)c1[O-] ZINC000751732310 577758586 /nfs/dbraw/zinc/75/85/86/577758586.db2.gz OZDXUSFGECFOBN-UHFFFAOYSA-N -1 3 329.671 2.146 20 5 EEBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc([N+](=O)[O-])c1 ZINC000737062845 578235768 /nfs/dbraw/zinc/23/57/68/578235768.db2.gz RAWYALVRMSLRDQ-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc([N+](=O)[O-])c1 ZINC000737062845 578235769 /nfs/dbraw/zinc/23/57/69/578235769.db2.gz RAWYALVRMSLRDQ-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC2(CCOCC2)C1 ZINC000823629933 599044888 /nfs/dbraw/zinc/04/48/88/599044888.db2.gz MQKIZLJKFGPIOG-UHFFFAOYSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC2(CCOCC2)C1 ZINC000823629933 599044891 /nfs/dbraw/zinc/04/48/91/599044891.db2.gz MQKIZLJKFGPIOG-UHFFFAOYSA-N -1 3 344.375 2.172 20 5 EEBDHM CCc1cnc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000821497273 599083381 /nfs/dbraw/zinc/08/33/81/599083381.db2.gz RTXZIHJHQKAYKO-UHFFFAOYSA-N -1 3 345.388 2.448 20 5 EEBDHM CCc1cnc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000821497273 599083382 /nfs/dbraw/zinc/08/33/82/599083382.db2.gz RTXZIHJHQKAYKO-UHFFFAOYSA-N -1 3 345.388 2.448 20 5 EEBDHM O=[N+]([O-])c1c(Oc2ccccc2-c2nnn[n-]2)nc2sccn21 ZINC000823630091 599385749 /nfs/dbraw/zinc/38/57/49/599385749.db2.gz QWSRBPPKOIWXSD-UHFFFAOYSA-N -1 3 329.301 2.276 20 5 EEBDHM O=[N+]([O-])c1c(Oc2ccccc2-c2nn[n-]n2)nc2sccn21 ZINC000823630091 599385752 /nfs/dbraw/zinc/38/57/52/599385752.db2.gz QWSRBPPKOIWXSD-UHFFFAOYSA-N -1 3 329.301 2.276 20 5 EEBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397508 599506844 /nfs/dbraw/zinc/50/68/44/599506844.db2.gz PKGGTKBHZIPLLT-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397508 599506845 /nfs/dbraw/zinc/50/68/45/599506845.db2.gz PKGGTKBHZIPLLT-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM Cc1ncc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000822466842 607383649 /nfs/dbraw/zinc/38/36/49/607383649.db2.gz CTVRUABBHIVNED-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM Cc1ncc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000822466842 607383651 /nfs/dbraw/zinc/38/36/51/607383651.db2.gz CTVRUABBHIVNED-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM CO[C@@]1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(C)C ZINC000821678096 599687384 /nfs/dbraw/zinc/68/73/84/599687384.db2.gz JMZASXYQJIOEKP-WFASDCNBSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@@]1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC000821678096 599687385 /nfs/dbraw/zinc/68/73/85/599687385.db2.gz JMZASXYQJIOEKP-WFASDCNBSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@]1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678802 599688256 /nfs/dbraw/zinc/68/82/56/599688256.db2.gz SHGSJTHCQTUNCB-IUODEOHRSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@]1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678802 599688257 /nfs/dbraw/zinc/68/82/57/599688257.db2.gz SHGSJTHCQTUNCB-IUODEOHRSA-N -1 3 332.364 2.390 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293711 607440639 /nfs/dbraw/zinc/44/06/39/607440639.db2.gz ZBDWUDQSONFFFB-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293711 607440640 /nfs/dbraw/zinc/44/06/40/607440640.db2.gz ZBDWUDQSONFFFB-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820050647 606426601 /nfs/dbraw/zinc/42/66/01/606426601.db2.gz DNOJCVCIUPRZHA-ZWNOBZJWSA-N -1 3 347.379 2.033 20 5 EEBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820050647 606426602 /nfs/dbraw/zinc/42/66/02/606426602.db2.gz DNOJCVCIUPRZHA-ZWNOBZJWSA-N -1 3 347.379 2.033 20 5 EEBDHM CCOc1ncccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821437485 606644935 /nfs/dbraw/zinc/64/49/35/606644935.db2.gz OHYAWLQZFUEHCI-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM CC(C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820067339 607043895 /nfs/dbraw/zinc/04/38/95/607043895.db2.gz IIGTZNLUOYIOQI-LLVKDONJSA-N -1 3 331.380 2.432 20 5 EEBDHM CC(C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820067339 607043896 /nfs/dbraw/zinc/04/38/96/607043896.db2.gz IIGTZNLUOYIOQI-LLVKDONJSA-N -1 3 331.380 2.432 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000823629801 607133482 /nfs/dbraw/zinc/13/34/82/607133482.db2.gz HLHCYDWQFXFAJG-NSHDSACASA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000823629801 607133484 /nfs/dbraw/zinc/13/34/84/607133484.db2.gz HLHCYDWQFXFAJG-NSHDSACASA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639904 607133876 /nfs/dbraw/zinc/13/38/76/607133876.db2.gz LKBUUXNIVDIUIA-JTQLQIEISA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639904 607133879 /nfs/dbraw/zinc/13/38/79/607133879.db2.gz LKBUUXNIVDIUIA-JTQLQIEISA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cccc(CN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC000823648431 607175977 /nfs/dbraw/zinc/17/59/77/607175977.db2.gz WWFZSVYGJYPCSP-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1cccc(CN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC000823648431 607175978 /nfs/dbraw/zinc/17/59/78/607175978.db2.gz WWFZSVYGJYPCSP-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM CN(CCCNC(=O)C1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095465212 1205781960 /nfs/dbraw/zinc/78/19/60/1205781960.db2.gz PXKBAGIOYNVJSQ-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CC(C)CCC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114735884 1215148779 /nfs/dbraw/zinc/14/87/79/1215148779.db2.gz MLSBDOFOOYTDMI-HAQNSBGRSA-N -1 3 336.392 2.438 20 5 EEBDHM Cc1cc[nH]c1C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057325666 1243277981 /nfs/dbraw/zinc/27/79/81/1243277981.db2.gz ZJSVPVIMPYLXMS-UHFFFAOYSA-N -1 3 345.359 2.049 20 5 EEBDHM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097112247 1243715924 /nfs/dbraw/zinc/71/59/24/1243715924.db2.gz NOELMMITCDCMJJ-KYZUINATSA-N -1 3 344.318 2.190 20 5 EEBDHM Cc1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC001101604702 1246016890 /nfs/dbraw/zinc/01/68/90/1246016890.db2.gz KKTFJCFNAAVGJB-UHFFFAOYSA-N -1 3 344.371 2.496 20 5 EEBDHM CC(C)c1[nH]ccc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101911232 1246246710 /nfs/dbraw/zinc/24/67/10/1246246710.db2.gz SQRIHPHSUODAPB-UHFFFAOYSA-N -1 3 347.375 2.331 20 5 EEBDHM O=C(C=C1CCCCC1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055735113 1250726118 /nfs/dbraw/zinc/72/61/18/1250726118.db2.gz JRSYEZLERQLMPJ-UHFFFAOYSA-N -1 3 346.387 2.235 20 5 EEBDHM CC(C)[C@H](CO)O[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861907217 1295593450 /nfs/dbraw/zinc/59/34/50/1295593450.db2.gz KVWWYXBTPSKWDD-JTQLQIEISA-N -1 3 347.165 2.036 20 5 EEBDHM Cc1ccc(NCC2(NC(=O)c3cn[n-]n3)CCCC2)c([N+](=O)[O-])c1 ZINC001103469410 1303004406 /nfs/dbraw/zinc/00/44/06/1303004406.db2.gz SAKSRLFQHALEPS-UHFFFAOYSA-N -1 3 344.375 2.176 20 5 EEBDHM NC(=O)c1nc(Cl)c(N)nc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248603290 1310918454 /nfs/dbraw/zinc/91/84/54/1310918454.db2.gz DVFYQWGAKKFGAS-UHFFFAOYSA-N -1 3 343.130 2.116 20 5 EEBDHM NCc1nccnc1[N-]c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160245415 1320110784 /nfs/dbraw/zinc/11/07/84/1320110784.db2.gz BBVIUPLMQIVXDR-UHFFFAOYSA-N -1 3 331.723 2.184 20 5 EEBDHM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c2nccn21 ZINC001590207346 1349199799 /nfs/dbraw/zinc/19/97/99/1349199799.db2.gz RGIUZYBQHOBYPP-KWQFWETISA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c2nccn21 ZINC001590207346 1349199805 /nfs/dbraw/zinc/19/98/05/1349199805.db2.gz RGIUZYBQHOBYPP-KWQFWETISA-N -1 3 326.320 2.089 20 5 EEBDHM COCCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CC[C@@H](C)C1 ZINC001591429585 1349483116 /nfs/dbraw/zinc/48/31/16/1349483116.db2.gz YEWSTFBXCATKMM-VXGBXAGGSA-N -1 3 346.391 2.416 20 5 EEBDHM COCCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CC[C@@H](C)C1 ZINC001591429585 1349483120 /nfs/dbraw/zinc/48/31/20/1349483120.db2.gz YEWSTFBXCATKMM-VXGBXAGGSA-N -1 3 346.391 2.416 20 5 EEBDHM C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609122189 1351851528 /nfs/dbraw/zinc/85/15/28/1351851528.db2.gz CDTZFVAOCJKTCP-MRVPVSSYSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609122189 1351851531 /nfs/dbraw/zinc/85/15/31/1351851531.db2.gz CDTZFVAOCJKTCP-MRVPVSSYSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001609127468 1351853795 /nfs/dbraw/zinc/85/37/95/1351853795.db2.gz JBXANCOWMBHUQW-MRXNPFEDSA-N -1 3 340.343 2.095 20 5 EEBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001609127468 1351853800 /nfs/dbraw/zinc/85/38/00/1351853800.db2.gz JBXANCOWMBHUQW-MRXNPFEDSA-N -1 3 340.343 2.095 20 5 EEBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001609175139 1351877091 /nfs/dbraw/zinc/87/70/91/1351877091.db2.gz HYTLCNUFKKFRHQ-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001609175139 1351877094 /nfs/dbraw/zinc/87/70/94/1351877094.db2.gz HYTLCNUFKKFRHQ-NSHDSACASA-N -1 3 344.375 2.313 20 5 EEBDHM CCC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OCC ZINC001609205294 1351890717 /nfs/dbraw/zinc/89/07/17/1351890717.db2.gz GTRDNIJVTQYJJI-SNVBAGLBSA-N -1 3 348.363 2.166 20 5 EEBDHM CCC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OCC ZINC001609205294 1351890718 /nfs/dbraw/zinc/89/07/18/1351890718.db2.gz GTRDNIJVTQYJJI-SNVBAGLBSA-N -1 3 348.363 2.166 20 5 EEBDHM Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001609420149 1351969217 /nfs/dbraw/zinc/96/92/17/1351969217.db2.gz USJDNHNTFLDNPR-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001609420149 1351969219 /nfs/dbraw/zinc/96/92/19/1351969219.db2.gz USJDNHNTFLDNPR-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM NC(=O)c1cccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001609505218 1352000777 /nfs/dbraw/zinc/00/07/77/1352000777.db2.gz SFKVPVAQYDUUPF-UHFFFAOYSA-N -1 3 342.340 2.025 20 5 EEBDHM NC(=O)c1cccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001609505218 1352000784 /nfs/dbraw/zinc/00/07/84/1352000784.db2.gz SFKVPVAQYDUUPF-UHFFFAOYSA-N -1 3 342.340 2.025 20 5 EEBDHM C[C@@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590024743 1349113526 /nfs/dbraw/zinc/11/35/26/1349113526.db2.gz IOVIKUPWHZPGDR-SNVBAGLBSA-N -1 3 341.327 2.407 20 5 EEBDHM C[C@@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590024743 1349113537 /nfs/dbraw/zinc/11/35/37/1349113537.db2.gz IOVIKUPWHZPGDR-SNVBAGLBSA-N -1 3 341.327 2.407 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590961286 1349425758 /nfs/dbraw/zinc/42/57/58/1349425758.db2.gz UKUXBNDNNVXFKV-QMMMGPOBSA-N -1 3 346.326 2.304 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590961286 1349425768 /nfs/dbraw/zinc/42/57/68/1349425768.db2.gz UKUXBNDNNVXFKV-QMMMGPOBSA-N -1 3 346.326 2.304 20 5 EEBDHM Cc1cc(NC[C@]2(O)CCC[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042704 1349586849 /nfs/dbraw/zinc/58/68/49/1349586849.db2.gz MKRYNUDYDUIQGH-ZUZCIYMTSA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1cc(NC[C@]2(O)CCC[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042704 1349586850 /nfs/dbraw/zinc/58/68/50/1349586850.db2.gz MKRYNUDYDUIQGH-ZUZCIYMTSA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1cc(NC[C@@]2(O)CCC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042701 1349587442 /nfs/dbraw/zinc/58/74/42/1349587442.db2.gz MKRYNUDYDUIQGH-BMIGLBTASA-N -1 3 332.364 2.046 20 5 EEBDHM Cc1cc(NC[C@@]2(O)CCC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042701 1349587444 /nfs/dbraw/zinc/58/74/44/1349587444.db2.gz MKRYNUDYDUIQGH-BMIGLBTASA-N -1 3 332.364 2.046 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@]2(CCSC2)C1 ZINC001593468211 1349804539 /nfs/dbraw/zinc/80/45/39/1349804539.db2.gz KZVNORFTRCNJTH-HNNXBMFYSA-N -1 3 346.416 2.498 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@]2(CCSC2)C1 ZINC001593468211 1349804545 /nfs/dbraw/zinc/80/45/45/1349804545.db2.gz KZVNORFTRCNJTH-HNNXBMFYSA-N -1 3 346.416 2.498 20 5 EEBDHM O=[N+]([O-])c1cc(N2CC(Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC001593472229 1349806754 /nfs/dbraw/zinc/80/67/54/1349806754.db2.gz YBBMMQIRRYQDSZ-UHFFFAOYSA-N -1 3 336.355 2.454 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)ccc1-c1nnn[n-]1 ZINC001593474032 1349808500 /nfs/dbraw/zinc/80/85/00/1349808500.db2.gz NYEMLAJKUWSVKX-FZMZJTMJSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccnc(Cl)c1 ZINC001593476188 1349809196 /nfs/dbraw/zinc/80/91/96/1349809196.db2.gz YTVGZQUVPQBLHR-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccnc(Cl)c1 ZINC001593476188 1349809201 /nfs/dbraw/zinc/80/92/01/1349809201.db2.gz YTVGZQUVPQBLHR-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H]3C(F)F)cc(-c3nnn[n-]3)c2c1 ZINC001593479790 1349811695 /nfs/dbraw/zinc/81/16/95/1349811695.db2.gz XJQKANABNRXCJF-NSHDSACASA-N -1 3 347.285 2.167 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H]3C(F)F)cc(-c3nn[n-]n3)c2c1 ZINC001593479790 1349811701 /nfs/dbraw/zinc/81/17/01/1349811701.db2.gz XJQKANABNRXCJF-NSHDSACASA-N -1 3 347.285 2.167 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H](C2CCC2)[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593479287 1349812163 /nfs/dbraw/zinc/81/21/63/1349812163.db2.gz WKTGOGMYHJECIJ-XHDPSFHLSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H](C2CCC2)[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593479287 1349812165 /nfs/dbraw/zinc/81/21/65/1349812165.db2.gz WKTGOGMYHJECIJ-XHDPSFHLSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cc(Cl)ccn1 ZINC001593482478 1349814392 /nfs/dbraw/zinc/81/43/92/1349814392.db2.gz BKWAFTVYWRYBMH-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cc(Cl)ccn1 ZINC001593482478 1349814397 /nfs/dbraw/zinc/81/43/97/1349814397.db2.gz BKWAFTVYWRYBMH-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccsc1N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593486581 1349815456 /nfs/dbraw/zinc/81/54/56/1349815456.db2.gz AXQZLPGMYCEXRL-LLVKDONJSA-N -1 3 328.357 2.416 20 5 EEBDHM O=[N+]([O-])c1ccsc1N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593486581 1349815460 /nfs/dbraw/zinc/81/54/60/1349815460.db2.gz AXQZLPGMYCEXRL-LLVKDONJSA-N -1 3 328.357 2.416 20 5 EEBDHM Cn1ccnc1[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001600984936 1350183154 /nfs/dbraw/zinc/18/31/54/1350183154.db2.gz ZUFWDRITHBWZQF-LBPRGKRZSA-N -1 3 330.344 2.016 20 5 EEBDHM CC(C)(C)/C=C\C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603069227 1350632073 /nfs/dbraw/zinc/63/20/73/1350632073.db2.gz SIDDZQHGIAMVIP-FPLPWBNLSA-N -1 3 331.332 2.420 20 5 EEBDHM CC(C)(C)/C=C\C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603069227 1350632078 /nfs/dbraw/zinc/63/20/78/1350632078.db2.gz SIDDZQHGIAMVIP-FPLPWBNLSA-N -1 3 331.332 2.420 20 5 EEBDHM CC(C)c1nnc(Sc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1C ZINC001603418345 1350703129 /nfs/dbraw/zinc/70/31/29/1350703129.db2.gz JOKHWEQSXBHAKG-UHFFFAOYSA-N -1 3 346.376 2.178 20 5 EEBDHM CC(C)c1nnc(Sc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1C ZINC001603418345 1350703131 /nfs/dbraw/zinc/70/31/31/1350703131.db2.gz JOKHWEQSXBHAKG-UHFFFAOYSA-N -1 3 346.376 2.178 20 5 EEBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603818568 1350775718 /nfs/dbraw/zinc/77/57/18/1350775718.db2.gz IETFBPAODRBHNV-BBRMVZONSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603818568 1350775720 /nfs/dbraw/zinc/77/57/20/1350775720.db2.gz IETFBPAODRBHNV-BBRMVZONSA-N -1 3 337.343 2.312 20 5 EEBDHM CCC(CC)(CNCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)OC ZINC001605003398 1351049694 /nfs/dbraw/zinc/04/96/94/1351049694.db2.gz VNJXJUISTSEONX-UHFFFAOYSA-N -1 3 338.360 2.362 20 5 EEBDHM CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001605372340 1351146850 /nfs/dbraw/zinc/14/68/50/1351146850.db2.gz RWZHNZYHCNALLA-IUCAKERBSA-N -1 3 349.420 2.443 20 5 EEBDHM CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001605372340 1351146851 /nfs/dbraw/zinc/14/68/51/1351146851.db2.gz RWZHNZYHCNALLA-IUCAKERBSA-N -1 3 349.420 2.443 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001605643491 1351208621 /nfs/dbraw/zinc/20/86/21/1351208621.db2.gz KLAWGKDUTUNCQX-UHFFFAOYSA-N -1 3 340.343 2.408 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001605643491 1351208631 /nfs/dbraw/zinc/20/86/31/1351208631.db2.gz KLAWGKDUTUNCQX-UHFFFAOYSA-N -1 3 340.343 2.408 20 5 EEBDHM Cc1cc(NC[C@]2(C)CCCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605728815 1351218690 /nfs/dbraw/zinc/21/86/90/1351218690.db2.gz XZHLDKDWKHNQPO-HNNXBMFYSA-N -1 3 332.364 2.454 20 5 EEBDHM Cc1cc(NC[C@]2(C)CCCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605728815 1351218695 /nfs/dbraw/zinc/21/86/95/1351218695.db2.gz XZHLDKDWKHNQPO-HNNXBMFYSA-N -1 3 332.364 2.454 20 5 EEBDHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)cc1[N+](=O)[O-] ZINC001605870563 1351242540 /nfs/dbraw/zinc/24/25/40/1351242540.db2.gz QGNOKXFUYCCYST-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)cc1[N+](=O)[O-] ZINC001605870563 1351242543 /nfs/dbraw/zinc/24/25/43/1351242543.db2.gz QGNOKXFUYCCYST-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001605884546 1351245793 /nfs/dbraw/zinc/24/57/93/1351245793.db2.gz MEBBAPKEGDDHRP-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001605884546 1351245796 /nfs/dbraw/zinc/24/57/96/1351245796.db2.gz MEBBAPKEGDDHRP-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC1CCC2(COC2)CC1 ZINC001607077738 1351407556 /nfs/dbraw/zinc/40/75/56/1351407556.db2.gz QXBHHERCQWSRIO-UHFFFAOYSA-N -1 3 348.338 2.285 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC1CCC2(COC2)CC1 ZINC001607077738 1351407561 /nfs/dbraw/zinc/40/75/61/1351407561.db2.gz QXBHHERCQWSRIO-UHFFFAOYSA-N -1 3 348.338 2.285 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2C[C@H]2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001607079415 1351408700 /nfs/dbraw/zinc/40/87/00/1351408700.db2.gz HRLPQMFQJQKAQW-IMTBSYHQSA-N -1 3 328.254 2.385 20 5 EEBDHM O=[N+]([O-])c1cccc2c(NCc3ccc(-c4nnn[n-]4)cn3)ccnc21 ZINC001607085390 1351411989 /nfs/dbraw/zinc/41/19/89/1351411989.db2.gz SCHCNEJKGWRJNK-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc2c(NCc3ccc(-c4nn[n-]n4)cn3)ccnc21 ZINC001607085390 1351411992 /nfs/dbraw/zinc/41/19/92/1351411992.db2.gz SCHCNEJKGWRJNK-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM C[C@H](CCNC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853471057 1369337385 /nfs/dbraw/zinc/33/73/85/1369337385.db2.gz BVHOIKNXFIMIRR-SECBINFHSA-N -1 3 326.353 2.411 20 5 EEBDHM Cc1cc(C(=O)N(C)CCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])co1 ZINC001112069009 765719563 /nfs/dbraw/zinc/71/95/63/765719563.db2.gz BQJWODMFRGMBRX-UHFFFAOYSA-N -1 3 348.359 2.195 20 5 EEBDHM O=C(CCC(F)F)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091493463 791008954 /nfs/dbraw/zinc/00/89/54/791008954.db2.gz JQSFMYZBQBTLCE-KYZUINATSA-N -1 3 344.318 2.047 20 5 EEBDHM CCC(=O)NCc1nc(CNc2ccc(C)cc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001091710627 792350843 /nfs/dbraw/zinc/35/08/43/792350843.db2.gz MBRQJKWFCBZAIU-UHFFFAOYSA-N -1 3 345.359 2.037 20 5 EEBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])sc1C ZINC001093623142 795449532 /nfs/dbraw/zinc/44/95/32/795449532.db2.gz CTAOZWVMTUAHLW-UHFFFAOYSA-N -1 3 336.373 2.216 20 5 EEBDHM CC(C)(C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001093626209 795458201 /nfs/dbraw/zinc/45/82/01/795458201.db2.gz XDBLGUOHXLUNJY-UHFFFAOYSA-N -1 3 344.371 2.201 20 5 EEBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)s1 ZINC001093974658 795863125 /nfs/dbraw/zinc/86/31/25/795863125.db2.gz VXGQWWLHAPATCI-UHFFFAOYSA-N -1 3 336.373 2.216 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000915361275 795931835 /nfs/dbraw/zinc/93/18/35/795931835.db2.gz FXSPVGIQOXYZRY-MRVPVSSYSA-N -1 3 339.200 2.375 20 5 EEBDHM CCc1ccc(F)cc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094246473 796035811 /nfs/dbraw/zinc/03/58/11/796035811.db2.gz JRZZDNBBQDZEKS-UHFFFAOYSA-N -1 3 348.334 2.239 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2ccccc2[O-])n1 ZINC001094338323 796113189 /nfs/dbraw/zinc/11/31/89/796113189.db2.gz ISMRZSQJKJZYEN-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM Cc1ccc(F)c(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001094816212 796596083 /nfs/dbraw/zinc/59/60/83/796596083.db2.gz XYVULYZOHPPYBO-UHFFFAOYSA-N -1 3 348.334 2.375 20 5 EEBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ncc([N+](=O)[O-])s1 ZINC001575512139 949137241 /nfs/dbraw/zinc/13/72/41/949137241.db2.gz MTWZPRBBYNDOEF-QMMMGPOBSA-N -1 3 331.361 2.429 20 5 EEBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ncc([N+](=O)[O-])s1 ZINC001575512139 949137258 /nfs/dbraw/zinc/13/72/58/949137258.db2.gz MTWZPRBBYNDOEF-QMMMGPOBSA-N -1 3 331.361 2.429 20 5 EEBDHM O=c1nc(Cn2cc([N+](=O)[O-])cn2)[n-]c2sc3c(c21)CCCC3 ZINC000077931808 217001604 /nfs/dbraw/zinc/00/16/04/217001604.db2.gz KWOCKSZBKGYQTL-UHFFFAOYSA-N -1 3 331.357 2.016 20 5 EEBDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352318788 153053608 /nfs/dbraw/zinc/05/36/08/153053608.db2.gz DGFNHXHFVFTFOW-VXNVDRBHSA-N -1 3 336.822 2.278 20 5 EEBDHM O=C(c1ccccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125427060 292296618 /nfs/dbraw/zinc/29/66/18/292296618.db2.gz YGVKAUUODISFFL-NSHDSACASA-N -1 3 328.328 2.022 20 5 EEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000075705620 159076322 /nfs/dbraw/zinc/07/63/22/159076322.db2.gz UOLBAQFTSWGKDM-UHFFFAOYSA-N -1 3 340.332 2.221 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[n-]c2ccncc2c1=O ZINC000341699255 161006239 /nfs/dbraw/zinc/00/62/39/161006239.db2.gz RIOSOQNBWICDEB-UHFFFAOYSA-N -1 3 338.323 2.104 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000342531223 161072168 /nfs/dbraw/zinc/07/21/68/161072168.db2.gz QPSUYRGHJYALDD-OLZOCXBDSA-N -1 3 346.430 2.201 20 5 EEBDHM COc1ccsc1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC000344057781 161194452 /nfs/dbraw/zinc/19/44/52/161194452.db2.gz OPQYBJQNMWYPFH-UHFFFAOYSA-N -1 3 342.398 2.186 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000352557584 162185887 /nfs/dbraw/zinc/18/58/87/162185887.db2.gz AAOAGDZQSMMOFO-LLVKDONJSA-N -1 3 348.808 2.078 20 5 EEBDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000352929164 162350892 /nfs/dbraw/zinc/35/08/92/162350892.db2.gz BSFYLNQXBJITCS-KGLIPLIRSA-N -1 3 342.417 2.467 20 5 EEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1(C)C ZINC000360218862 164260704 /nfs/dbraw/zinc/26/07/04/164260704.db2.gz IFTMTGHOGQTYIZ-STQMWFEESA-N -1 3 342.417 2.303 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CC2CCC2)cc1C ZINC000280353197 269354460 /nfs/dbraw/zinc/35/44/60/269354460.db2.gz WVJGAIMMCHJHMV-ZDUSSCGKSA-N -1 3 342.417 2.041 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c(Cl)c1 ZINC000289449823 275116694 /nfs/dbraw/zinc/11/66/94/275116694.db2.gz FUKREQUTJZDRAM-GFCCVEGCSA-N -1 3 348.808 2.078 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000416562197 313258776 /nfs/dbraw/zinc/25/87/76/313258776.db2.gz VRRFUEJXTGUXKB-USWWRNFRSA-N -1 3 326.374 2.070 20 5 EEBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000416622582 313276831 /nfs/dbraw/zinc/27/68/31/313276831.db2.gz WEKGHWMZZAAXNT-VIFPVBQESA-N -1 3 348.808 2.484 20 5 EEBDHM CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](c2ccccc2)C1 ZINC000436901721 315010936 /nfs/dbraw/zinc/01/09/36/315010936.db2.gz RRSMCOQZQAQIGR-HZPDHXFCSA-N -1 3 341.367 2.128 20 5 EEBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000524834366 317031767 /nfs/dbraw/zinc/03/17/67/317031767.db2.gz SDVFPCJWRJHEIO-UHFFFAOYSA-N -1 3 332.316 2.364 20 5 EEBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000524834366 317031769 /nfs/dbraw/zinc/03/17/69/317031769.db2.gz SDVFPCJWRJHEIO-UHFFFAOYSA-N -1 3 332.316 2.364 20 5 EEBDHM COc1ccc(OCCN2CCC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000566742704 319317436 /nfs/dbraw/zinc/31/74/36/319317436.db2.gz DPUPCXGWYCYPKI-MRXNPFEDSA-N -1 3 338.360 2.169 20 5 EEBDHM COCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000582856844 324544498 /nfs/dbraw/zinc/54/44/98/324544498.db2.gz HCFWRQNQZSJPSB-UHFFFAOYSA-N -1 3 334.419 2.202 20 5 EEBDHM CCn1cnnc1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000296293675 465147295 /nfs/dbraw/zinc/14/72/95/465147295.db2.gz ZMAONEZISDWPEU-UHFFFAOYSA-N -1 3 329.238 2.477 20 5 EEBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc([N+](=O)[O-])cc1 ZINC000061412563 462583635 /nfs/dbraw/zinc/58/36/35/462583635.db2.gz HEXNYYWEJONFFV-UHFFFAOYSA-N -1 3 335.341 2.065 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000114499325 462656818 /nfs/dbraw/zinc/65/68/18/462656818.db2.gz CGPJOSSFVYBNMY-UHFFFAOYSA-N -1 3 339.373 2.493 20 5 EEBDHM Cc1nn(Cc2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)c1[N+](=O)[O-] ZINC000007138476 462722631 /nfs/dbraw/zinc/72/26/31/462722631.db2.gz IQOULUDODRLSMW-UHFFFAOYSA-N -1 3 333.373 2.371 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c([N+](=O)[O-])c1 ZINC000121094929 463079215 /nfs/dbraw/zinc/07/92/15/463079215.db2.gz ZOWGMBJWLZIRHK-OAHLLOKOSA-N -1 3 344.433 2.369 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026875609 463174504 /nfs/dbraw/zinc/17/45/04/463174504.db2.gz YHZFWNHHHQLTDY-GHMZBOCLSA-N -1 3 328.390 2.460 20 5 EEBDHM COc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000122742085 463289122 /nfs/dbraw/zinc/28/91/22/463289122.db2.gz RJNYAYMNJPTRQM-UHFFFAOYSA-N -1 3 342.398 2.452 20 5 EEBDHM Cc1ccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2[O-])o1 ZINC000161041955 463394474 /nfs/dbraw/zinc/39/44/74/463394474.db2.gz TUCXCFLPZOGWGF-UHFFFAOYSA-N -1 3 347.371 2.406 20 5 EEBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000107310100 463564551 /nfs/dbraw/zinc/56/45/51/463564551.db2.gz MJMQECOQROFRKK-UHFFFAOYSA-N -1 3 339.373 2.029 20 5 EEBDHM O=C([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc([N+](=O)[O-])s1 ZINC000178055956 463835520 /nfs/dbraw/zinc/83/55/20/463835520.db2.gz JWGYBWBOCIHHNC-UHFFFAOYSA-N -1 3 338.366 2.238 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000269501288 464003797 /nfs/dbraw/zinc/00/37/97/464003797.db2.gz WXKNJZCQODAKJB-SSDOTTSWSA-N -1 3 349.206 2.434 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000186689474 464051029 /nfs/dbraw/zinc/05/10/29/464051029.db2.gz IPJLNQCANXMRAE-JTQLQIEISA-N -1 3 341.414 2.442 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)cc1C ZINC000271262266 464290867 /nfs/dbraw/zinc/29/08/67/464290867.db2.gz MPWCQTKCSSSPRU-NWDGAFQWSA-N -1 3 328.390 2.057 20 5 EEBDHM CCc1nc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000182291584 464621696 /nfs/dbraw/zinc/62/16/96/464621696.db2.gz HUCOIALEMYVJKV-UHFFFAOYSA-N -1 3 340.137 2.290 20 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468024165 /nfs/dbraw/zinc/02/41/65/468024165.db2.gz PXWLDIZXUJTSCP-WFASDCNBSA-N -1 3 342.417 2.243 20 5 EEBDHM CC[C@](C)(C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)OC ZINC000601430062 468869563 /nfs/dbraw/zinc/86/95/63/468869563.db2.gz NBISCVGBMXVMMC-CYBMUJFWSA-N -1 3 334.369 2.136 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601440134 468874687 /nfs/dbraw/zinc/87/46/87/468874687.db2.gz QEZCTEFFHUHCKE-AXFHLTTASA-N -1 3 346.380 2.134 20 5 EEBDHM O=c1[n-]ccc(NC2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596080184 469144635 /nfs/dbraw/zinc/14/46/35/469144635.db2.gz ATFVXKLDCLHVHB-UHFFFAOYSA-N -1 3 329.360 2.167 20 5 EEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000596270355 469228709 /nfs/dbraw/zinc/22/87/09/469228709.db2.gz FLURXMLIGGXFIH-CYBMUJFWSA-N -1 3 328.372 2.406 20 5 EEBDHM CSc1ccc(C(=O)[N-]c2nn3cnnc3s2)cc1[N+](=O)[O-] ZINC000603467556 469399473 /nfs/dbraw/zinc/39/94/73/469399473.db2.gz OERVTHXLNROCFM-UHFFFAOYSA-N -1 3 336.358 2.068 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC000738165973 578002191 /nfs/dbraw/zinc/00/21/91/578002191.db2.gz NVVZXVSNFRBZRF-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1csc([N+](=O)[O-])c1 ZINC000738165973 578002192 /nfs/dbraw/zinc/00/21/92/578002192.db2.gz NVVZXVSNFRBZRF-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=[N+]([O-])c1ccc(CCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000738358220 578010603 /nfs/dbraw/zinc/01/06/03/578010603.db2.gz BTHQWGGNJRQBJG-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1ccc(CCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000738358220 578010604 /nfs/dbraw/zinc/01/06/04/578010604.db2.gz BTHQWGGNJRQBJG-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM CCC1(O)CCC([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768881201 577564909 /nfs/dbraw/zinc/56/49/09/577564909.db2.gz HBBFTJABAMMCHY-UHFFFAOYSA-N -1 3 334.419 2.018 20 5 EEBDHM COc1cc(C(=O)[N-]OCC(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000759341841 577641320 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EEBDHM COc1ccc(CNc2nccc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204690 607560760 /nfs/dbraw/zinc/56/07/60/607560760.db2.gz VZLIUDTVUFPADI-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc(CNc2nccc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204690 607560762 /nfs/dbraw/zinc/56/07/62/607560762.db2.gz VZLIUDTVUFPADI-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2cn[nH]c2)c(-c2nnn[n-]2)c1 ZINC000823639842 606481796 /nfs/dbraw/zinc/48/17/96/606481796.db2.gz IOAXXQKIEUBLGJ-ZDUSSCGKSA-N -1 3 340.347 2.230 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2cn[nH]c2)c(-c2nn[n-]n2)c1 ZINC000823639842 606481798 /nfs/dbraw/zinc/48/17/98/606481798.db2.gz IOAXXQKIEUBLGJ-ZDUSSCGKSA-N -1 3 340.347 2.230 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822270966 607024789 /nfs/dbraw/zinc/02/47/89/607024789.db2.gz GBMIHBSBEUQOSP-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822270966 607024791 /nfs/dbraw/zinc/02/47/91/607024791.db2.gz GBMIHBSBEUQOSP-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820098473 607044507 /nfs/dbraw/zinc/04/45/07/607044507.db2.gz ZPUKMUCQQRQEGK-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820098473 607044508 /nfs/dbraw/zinc/04/45/08/607044508.db2.gz ZPUKMUCQQRQEGK-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000822182888 607249489 /nfs/dbraw/zinc/24/94/89/607249489.db2.gz CEQOCWRTNRAYNR-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000822182888 607249490 /nfs/dbraw/zinc/24/94/90/607249490.db2.gz CEQOCWRTNRAYNR-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cnc(CCN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000826318322 607850408 /nfs/dbraw/zinc/85/04/08/607850408.db2.gz DLDOTSYTBKEZRU-UHFFFAOYSA-N -1 3 345.388 2.219 20 5 EEBDHM Cc1cnc(CCN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000826318322 607850409 /nfs/dbraw/zinc/85/04/09/607850409.db2.gz DLDOTSYTBKEZRU-UHFFFAOYSA-N -1 3 345.388 2.219 20 5 EEBDHM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826292526 607863988 /nfs/dbraw/zinc/86/39/88/607863988.db2.gz YHMYXMPHFBZOBA-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826292526 607863989 /nfs/dbraw/zinc/86/39/89/607863989.db2.gz YHMYXMPHFBZOBA-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826272183 607872541 /nfs/dbraw/zinc/87/25/41/607872541.db2.gz XQCAKSJKTKXFNI-OAHLLOKOSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826272183 607872542 /nfs/dbraw/zinc/87/25/42/607872542.db2.gz XQCAKSJKTKXFNI-OAHLLOKOSA-N -1 3 341.327 2.196 20 5 EEBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CCC2 ZINC000824962239 608195829 /nfs/dbraw/zinc/19/58/29/608195829.db2.gz QTJUQAPILCMBKK-JTQLQIEISA-N -1 3 329.364 2.186 20 5 EEBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CCC2 ZINC000824962239 608195832 /nfs/dbraw/zinc/19/58/32/608195832.db2.gz QTJUQAPILCMBKK-JTQLQIEISA-N -1 3 329.364 2.186 20 5 EEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826484216 608397964 /nfs/dbraw/zinc/39/79/64/608397964.db2.gz SJVBEXRBSKTYKR-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826484216 608397966 /nfs/dbraw/zinc/39/79/66/608397966.db2.gz SJVBEXRBSKTYKR-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826263439 609383433 /nfs/dbraw/zinc/38/34/33/609383433.db2.gz BOLVMHUFMAGCSN-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826263439 609383435 /nfs/dbraw/zinc/38/34/35/609383435.db2.gz BOLVMHUFMAGCSN-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM CS[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C ZINC000826225490 609590426 /nfs/dbraw/zinc/59/04/26/609590426.db2.gz DBUVGMQERAJZET-SNVBAGLBSA-N -1 3 337.409 2.360 20 5 EEBDHM CS[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C ZINC000826225490 609590428 /nfs/dbraw/zinc/59/04/28/609590428.db2.gz DBUVGMQERAJZET-SNVBAGLBSA-N -1 3 337.409 2.360 20 5 EEBDHM C=C/C(C)=C\CC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105534130 1188146858 /nfs/dbraw/zinc/14/68/58/1188146858.db2.gz WIRJYTLMZWXODI-SDQBBNPISA-N -1 3 334.376 2.112 20 5 EEBDHM COC(=O)c1cnc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000813241940 1201179698 /nfs/dbraw/zinc/17/96/98/1201179698.db2.gz HYVJWISZKSDOSU-UHFFFAOYSA-N -1 3 336.691 2.077 20 5 EEBDHM CCCN(CCNC(=O)CC1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101125754 1245429497 /nfs/dbraw/zinc/42/94/97/1245429497.db2.gz MORXGPHTYLKQKQ-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667683 1301117510 /nfs/dbraw/zinc/11/75/10/1301117510.db2.gz WQIQIBKFCWDJSO-GFCCVEGCSA-N -1 3 346.343 2.037 20 5 EEBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)nc2ccc([N+](=O)[O-])cc12 ZINC001156276867 1317947048 /nfs/dbraw/zinc/94/70/48/1317947048.db2.gz BOXRWEXUIBSLFQ-NSHDSACASA-N -1 3 327.344 2.375 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc([N+](=O)[O-])c1 ZINC001609336467 1351937483 /nfs/dbraw/zinc/93/74/83/1351937483.db2.gz NVHZEQAGFNAWMP-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc([N+](=O)[O-])c1 ZINC001609336467 1351937485 /nfs/dbraw/zinc/93/74/85/1351937485.db2.gz NVHZEQAGFNAWMP-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM Cc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)c[nH]3)n2)cc1[N+](=O)[O-] ZINC001609417053 1351968218 /nfs/dbraw/zinc/96/82/18/1351968218.db2.gz IRIJJWADXFLYTM-UHFFFAOYSA-N -1 3 338.287 2.128 20 5 EEBDHM Cc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)c[nH]3)n2)cc1[N+](=O)[O-] ZINC001609417053 1351968221 /nfs/dbraw/zinc/96/82/21/1351968221.db2.gz IRIJJWADXFLYTM-UHFFFAOYSA-N -1 3 338.287 2.128 20 5 EEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609556028 1352015210 /nfs/dbraw/zinc/01/52/10/1352015210.db2.gz AMQQFBDZAYDOKW-UHFFFAOYSA-N -1 3 339.315 2.097 20 5 EEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609556028 1352015213 /nfs/dbraw/zinc/01/52/13/1352015213.db2.gz AMQQFBDZAYDOKW-UHFFFAOYSA-N -1 3 339.315 2.097 20 5 EEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609578375 1352024809 /nfs/dbraw/zinc/02/48/09/1352024809.db2.gz JEAOHFPWLISUAX-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609578375 1352024814 /nfs/dbraw/zinc/02/48/14/1352024814.db2.gz JEAOHFPWLISUAX-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(OC2CCC2)CC1 ZINC001609601277 1352030575 /nfs/dbraw/zinc/03/05/75/1352030575.db2.gz VIGHEPAYMVZZOC-UHFFFAOYSA-N -1 3 344.375 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(OC2CCC2)CC1 ZINC001609601277 1352030579 /nfs/dbraw/zinc/03/05/79/1352030579.db2.gz VIGHEPAYMVZZOC-UHFFFAOYSA-N -1 3 344.375 2.313 20 5 EEBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nn[n-]n2)cc1F ZINC001609603654 1352032958 /nfs/dbraw/zinc/03/29/58/1352032958.db2.gz VHILSGMPQJQSCM-UHFFFAOYSA-N -1 3 343.322 2.438 20 5 EEBDHM CC(C)[C@@]1(CO)CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589494558 1348996601 /nfs/dbraw/zinc/99/66/01/1348996601.db2.gz MYXAGGXKPUYFPZ-INIZCTEOSA-N -1 3 346.391 2.010 20 5 EEBDHM CC(C)[C@@]1(CO)CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589494558 1348996603 /nfs/dbraw/zinc/99/66/03/1348996603.db2.gz MYXAGGXKPUYFPZ-INIZCTEOSA-N -1 3 346.391 2.010 20 5 EEBDHM C[C@]12CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC001590158649 1349179333 /nfs/dbraw/zinc/17/93/33/1349179333.db2.gz ZECMANHYEUYJIE-YPMHNXCESA-N -1 3 336.302 2.256 20 5 EEBDHM C[C@]12CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC001590158649 1349179336 /nfs/dbraw/zinc/17/93/36/1349179336.db2.gz ZECMANHYEUYJIE-YPMHNXCESA-N -1 3 336.302 2.256 20 5 EEBDHM CO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(C)C ZINC001591358408 1349472232 /nfs/dbraw/zinc/47/22/32/1349472232.db2.gz PBKPDOWUCACYRJ-AWEZNQCLSA-N -1 3 346.391 2.335 20 5 EEBDHM CO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(C)C ZINC001591358408 1349472235 /nfs/dbraw/zinc/47/22/35/1349472235.db2.gz PBKPDOWUCACYRJ-AWEZNQCLSA-N -1 3 346.391 2.335 20 5 EEBDHM COc1cc(F)cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001591540876 1349502763 /nfs/dbraw/zinc/50/27/63/1349502763.db2.gz RODKBHJCFQUAMQ-UHFFFAOYSA-N -1 3 345.294 2.248 20 5 EEBDHM COc1cc(F)cc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001591540876 1349502768 /nfs/dbraw/zinc/50/27/68/1349502768.db2.gz RODKBHJCFQUAMQ-UHFFFAOYSA-N -1 3 345.294 2.248 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@H](OCC2CC2)C1 ZINC001593480127 1349812905 /nfs/dbraw/zinc/81/29/05/1349812905.db2.gz GJGADFSBQOXKNP-LBPRGKRZSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@H](OCC2CC2)C1 ZINC001593480127 1349812911 /nfs/dbraw/zinc/81/29/11/1349812911.db2.gz GJGADFSBQOXKNP-LBPRGKRZSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H]2C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485672 1349815402 /nfs/dbraw/zinc/81/54/02/1349815402.db2.gz WCXBGYPHSNFTRO-CMPLNLGQSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H]2C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485672 1349815407 /nfs/dbraw/zinc/81/54/07/1349815407.db2.gz WCXBGYPHSNFTRO-CMPLNLGQSA-N -1 3 329.364 2.408 20 5 EEBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OCC1CC1 ZINC001603150849 1350650739 /nfs/dbraw/zinc/65/07/39/1350650739.db2.gz UYCBKYGJKXTADC-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OCC1CC1 ZINC001603150849 1350650745 /nfs/dbraw/zinc/65/07/45/1350650745.db2.gz UYCBKYGJKXTADC-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM CC(C)[C@@H](CO)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001603223743 1350665181 /nfs/dbraw/zinc/66/51/81/1350665181.db2.gz OXJDEPMIWIZDHS-DOMZBBRYSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](CO)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001603223743 1350665200 /nfs/dbraw/zinc/66/52/00/1350665200.db2.gz OXJDEPMIWIZDHS-DOMZBBRYSA-N -1 3 348.407 2.476 20 5 EEBDHM C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001603643267 1350732797 /nfs/dbraw/zinc/73/27/97/1350732797.db2.gz BWZLJGRMFVRPPR-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603643267 1350732801 /nfs/dbraw/zinc/73/28/01/1350732801.db2.gz BWZLJGRMFVRPPR-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001605373199 1351147391 /nfs/dbraw/zinc/14/73/91/1351147391.db2.gz XDUHOQXCLLUWAY-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001607079724 1351408744 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2.279 20 5 EEBDHM Cc1c(OC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001591831525 1403954066 /nfs/dbraw/zinc/95/40/66/1403954066.db2.gz YDGVADQUQSVEMS-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1c(OC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001591831525 1403954073 /nfs/dbraw/zinc/95/40/73/1403954073.db2.gz YDGVADQUQSVEMS-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592010855 1403982409 /nfs/dbraw/zinc/98/24/09/1403982409.db2.gz PPKWYCUOPZXDAR-TXEJJXNPSA-N -1 3 326.360 2.486 20 5 EEBDHM Cc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592010855 1403982413 /nfs/dbraw/zinc/98/24/13/1403982413.db2.gz PPKWYCUOPZXDAR-TXEJJXNPSA-N -1 3 326.360 2.486 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCCCC1 ZINC001105332947 769765322 /nfs/dbraw/zinc/76/53/22/769765322.db2.gz LIFBPKFLHPYOMF-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCC=CCC1 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EEBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512887 606800043 /nfs/dbraw/zinc/80/00/43/606800043.db2.gz PAKFNKOWDFHEGK-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512887 606800044 /nfs/dbraw/zinc/80/00/44/606800044.db2.gz PAKFNKOWDFHEGK-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM CCC1(CC)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1OC ZINC000820956074 607033298 /nfs/dbraw/zinc/03/32/98/607033298.db2.gz HQQYPJLWBTTXFD-VXGBXAGGSA-N -1 3 347.379 2.176 20 5 EEBDHM CCC1(CC)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1OC ZINC000820956074 607033299 /nfs/dbraw/zinc/03/32/99/607033299.db2.gz HQQYPJLWBTTXFD-VXGBXAGGSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)(F)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824162836 608671209 /nfs/dbraw/zinc/67/12/09/608671209.db2.gz QIQYPRYHPWOUTC-UHFFFAOYSA-N -1 3 328.691 2.115 20 5 EEBDHM CC(C)(F)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl 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O=C([N-]OC1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000860936030 1295178365 /nfs/dbraw/zinc/17/83/65/1295178365.db2.gz UKCQCFQJZAMJEY-UHFFFAOYSA-N -1 3 345.149 2.198 20 5 EEBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CNCc3ccccc32)cc1[O-] ZINC001218488094 1297679422 /nfs/dbraw/zinc/67/94/22/1297679422.db2.gz QITNPLVCKATCEA-MRXNPFEDSA-N -1 3 344.323 2.310 20 5 EEBDHM Cc1ccc(F)c(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001101979098 1300100945 /nfs/dbraw/zinc/10/09/45/1300100945.db2.gz NSVOQBHBSQWCQG-UHFFFAOYSA-N -1 3 348.334 2.327 20 5 EEBDHM O=[N+]([O-])c1cnc(OC[C@H]2CC[C@]3(CCCCO3)O2)c2[n-]cnc21 ZINC001227691848 1301931206 /nfs/dbraw/zinc/93/12/06/1301931206.db2.gz QWOOVPJXZFPMPG-BMIGLBTASA-N -1 3 334.332 2.321 20 5 EEBDHM COC(=O)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccc(F)cc1 ZINC001227692365 1301931594 /nfs/dbraw/zinc/93/15/94/1301931594.db2.gz YAZFRSNLJWNIRK-CYBMUJFWSA-N -1 3 346.274 2.298 20 5 EEBDHM Cc1[n-]c(=O)cc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001228687312 1302381633 /nfs/dbraw/zinc/38/16/33/1302381633.db2.gz VKYNLBWSYXIXMG-GFCCVEGCSA-N -1 3 331.284 2.458 20 5 EEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC1 ZINC000780704050 1303690305 /nfs/dbraw/zinc/69/03/05/1303690305.db2.gz KIGXCOHJDKFMSK-JTQLQIEISA-N -1 3 347.824 2.011 20 5 EEBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)[n-]1 ZINC001231264593 1303710840 /nfs/dbraw/zinc/71/08/40/1303710840.db2.gz SJBYLNQXVMCTIH-BETUJISGSA-N -1 3 337.376 2.026 20 5 EEBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)n1 ZINC001231264593 1303710847 /nfs/dbraw/zinc/71/08/47/1303710847.db2.gz SJBYLNQXVMCTIH-BETUJISGSA-N -1 3 337.376 2.026 20 5 EEBDHM C[C@@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c2nccn21 ZINC001590207741 1349200989 /nfs/dbraw/zinc/20/09/89/1349200989.db2.gz UGNHVWSECVHAPK-HQJQHLMTSA-N -1 3 344.310 2.228 20 5 EEBDHM C[C@@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c2nccn21 ZINC001590207741 1349200992 /nfs/dbraw/zinc/20/09/92/1349200992.db2.gz UGNHVWSECVHAPK-HQJQHLMTSA-N -1 3 344.310 2.228 20 5 EEBDHM NC(=O)c1cnc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC001319757004 1332759964 /nfs/dbraw/zinc/75/99/64/1332759964.db2.gz ZIHCGAHMLLNWML-UHFFFAOYSA-N -1 3 338.682 2.134 20 5 EEBDHM CC(C)c1nn(C)cc1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609107087 1351845854 /nfs/dbraw/zinc/84/58/54/1351845854.db2.gz PFLWDIZUDUZPPI-UHFFFAOYSA-N -1 3 328.336 2.375 20 5 EEBDHM CC(C)c1nn(C)cc1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609107087 1351845859 /nfs/dbraw/zinc/84/58/59/1351845859.db2.gz PFLWDIZUDUZPPI-UHFFFAOYSA-N -1 3 328.336 2.375 20 5 EEBDHM COC[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609319862 1351932113 /nfs/dbraw/zinc/93/21/13/1351932113.db2.gz NLEDSYBEMNMODH-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM COC[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609319862 1351932115 /nfs/dbraw/zinc/93/21/15/1351932115.db2.gz NLEDSYBEMNMODH-NSHDSACASA-N -1 3 332.364 2.028 20 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/nfs/dbraw/zinc/96/04/45/1351960445.db2.gz UJNGNDQPKCLHSF-UHFFFAOYSA-N -1 3 339.359 2.423 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](CO)CC1CCCC1 ZINC001609600164 1352030862 /nfs/dbraw/zinc/03/08/62/1352030862.db2.gz TZBBWYJSYWUIMX-LBPRGKRZSA-N -1 3 346.391 2.376 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](CO)CC1CCCC1 ZINC001609600164 1352030867 /nfs/dbraw/zinc/03/08/67/1352030867.db2.gz TZBBWYJSYWUIMX-LBPRGKRZSA-N -1 3 346.391 2.376 20 5 EEBDHM CCN(CCNC(=O)/C=C\C(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100471723 1338410433 /nfs/dbraw/zinc/41/04/33/1338410433.db2.gz OBXLITOMFKSTCS-VURMDHGXSA-N -1 3 336.392 2.240 20 5 EEBDHM COc1cc(OCc2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC001579937626 1344436912 /nfs/dbraw/zinc/43/69/12/1344436912.db2.gz PSSZUDMCFCRRFT-UHFFFAOYSA-N -1 3 333.329 2.424 20 5 EEBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccn1 ZINC001589876024 1349053514 /nfs/dbraw/zinc/05/35/14/1349053514.db2.gz MWROQXCNWMROPU-JTQLQIEISA-N -1 3 325.332 2.386 20 5 EEBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccn1 ZINC001589876024 1349053518 /nfs/dbraw/zinc/05/35/18/1349053518.db2.gz MWROQXCNWMROPU-JTQLQIEISA-N -1 3 325.332 2.386 20 5 EEBDHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945882 1349073019 /nfs/dbraw/zinc/07/30/19/1349073019.db2.gz IMYMPGXXRIQQJZ-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945882 1349073025 /nfs/dbraw/zinc/07/30/25/1349073025.db2.gz IMYMPGXXRIQQJZ-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H]1CSC(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])=N1 ZINC001590330067 1349267642 /nfs/dbraw/zinc/26/76/42/1349267642.db2.gz VZKHZZNEWCVHDE-ZETCQYMHSA-N -1 3 336.402 2.499 20 5 EEBDHM C[C@H]1CSC(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])=N1 ZINC001590330067 1349267646 /nfs/dbraw/zinc/26/76/46/1349267646.db2.gz VZKHZZNEWCVHDE-ZETCQYMHSA-N -1 3 336.402 2.499 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334734 1349272048 /nfs/dbraw/zinc/27/20/48/1349272048.db2.gz LJMCWLLGDPPIBC-UGNBQVLZSA-N -1 3 336.327 2.138 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334734 1349272052 /nfs/dbraw/zinc/27/20/52/1349272052.db2.gz LJMCWLLGDPPIBC-UGNBQVLZSA-N -1 3 336.327 2.138 20 5 EEBDHM CCO[C@@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C(C)C ZINC001590784821 1349399480 /nfs/dbraw/zinc/39/94/80/1349399480.db2.gz ZFZUYEDFNIFJAY-LBPRGKRZSA-N -1 3 349.395 2.220 20 5 EEBDHM CCO[C@@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C(C)C ZINC001590784821 1349399485 /nfs/dbraw/zinc/39/94/85/1349399485.db2.gz ZFZUYEDFNIFJAY-LBPRGKRZSA-N -1 3 349.395 2.220 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1C ZINC001590944201 1349421704 /nfs/dbraw/zinc/42/17/04/1349421704.db2.gz JWGWAOXAANGVJZ-UHFFFAOYSA-N -1 3 329.320 2.400 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1C ZINC001590944201 1349421714 /nfs/dbraw/zinc/42/17/14/1349421714.db2.gz JWGWAOXAANGVJZ-UHFFFAOYSA-N -1 3 329.320 2.400 20 5 EEBDHM CN(C)c1cc(F)cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001591028641 1349429696 /nfs/dbraw/zinc/42/96/96/1349429696.db2.gz GGKIFPCCHDGROR-UHFFFAOYSA-N -1 3 344.310 2.119 20 5 EEBDHM CN(C)c1cc(F)cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001591028641 1349429699 /nfs/dbraw/zinc/42/96/99/1349429699.db2.gz GGKIFPCCHDGROR-UHFFFAOYSA-N -1 3 344.310 2.119 20 5 EEBDHM COC(=O)C(C)(C)CSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591226812 1349450642 /nfs/dbraw/zinc/45/06/42/1349450642.db2.gz LPBBGKMWJQTBGX-UHFFFAOYSA-N -1 3 337.361 2.066 20 5 EEBDHM COC(=O)C(C)(C)CSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591226812 1349450643 /nfs/dbraw/zinc/45/06/43/1349450643.db2.gz LPBBGKMWJQTBGX-UHFFFAOYSA-N -1 3 337.361 2.066 20 5 EEBDHM Cc1nsc(N2Cc3ccc([N+](=O)[O-])cc3C2)c1-c1nnn[n-]1 ZINC001592476750 1349635601 /nfs/dbraw/zinc/63/56/01/1349635601.db2.gz CFPVPMKAIWCAPA-UHFFFAOYSA-N -1 3 329.345 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001593468403 1349804685 /nfs/dbraw/zinc/80/46/85/1349804685.db2.gz KOBDSPPKZGRRGY-UGQGEIBHSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001593468403 1349804687 /nfs/dbraw/zinc/80/46/87/1349804687.db2.gz KOBDSPPKZGRRGY-UGQGEIBHSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001593468814 1349804926 /nfs/dbraw/zinc/80/49/26/1349804926.db2.gz SICQXPQAXMNLGU-CYBMUJFWSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001593468814 1349804931 /nfs/dbraw/zinc/80/49/31/1349804931.db2.gz SICQXPQAXMNLGU-CYBMUJFWSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSc1nc2c([nH]1)CCC2 ZINC001593468931 1349805124 /nfs/dbraw/zinc/80/51/24/1349805124.db2.gz WZQZUJONLGXOQG-UHFFFAOYSA-N -1 3 343.372 2.279 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSc1nc2c([nH]1)CCC2 ZINC001593468931 1349805134 /nfs/dbraw/zinc/80/51/34/1349805134.db2.gz WZQZUJONLGXOQG-UHFFFAOYSA-N -1 3 343.372 2.279 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1([C@H]2CCCO2)CCC1 ZINC001593471311 1349806853 /nfs/dbraw/zinc/80/68/53/1349806853.db2.gz RATMAEAGOSVJTA-CYBMUJFWSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1([C@H]2CCCO2)CCC1 ZINC001593471311 1349806859 /nfs/dbraw/zinc/80/68/59/1349806859.db2.gz RATMAEAGOSVJTA-CYBMUJFWSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCCC[C@H]2c2ncc[nH]2)ccc1-c1nnn[n-]1 ZINC001593472031 1349807441 /nfs/dbraw/zinc/80/74/41/1349807441.db2.gz RQGCQSKZIBIKLG-LBPRGKRZSA-N -1 3 340.347 2.230 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCCC[C@H]2c2ncc[nH]2)ccc1-c1nn[n-]n1 ZINC001593472031 1349807444 /nfs/dbraw/zinc/80/74/44/1349807444.db2.gz RQGCQSKZIBIKLG-LBPRGKRZSA-N -1 3 340.347 2.230 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H](O)c1ccccc1F ZINC001593475916 1349808966 /nfs/dbraw/zinc/80/89/66/1349808966.db2.gz RLKYCNANIPNYKB-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H](O)c1ccccc1F ZINC001593475916 1349808972 /nfs/dbraw/zinc/80/89/72/1349808972.db2.gz RLKYCNANIPNYKB-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccccn2)C1 ZINC001593481492 1349813120 /nfs/dbraw/zinc/81/31/20/1349813120.db2.gz QERMYAYGICNXHS-NSHDSACASA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccccn2)C1 ZINC001593481492 1349813123 /nfs/dbraw/zinc/81/31/23/1349813123.db2.gz QERMYAYGICNXHS-NSHDSACASA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1ncccc1NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593487188 1349815702 /nfs/dbraw/zinc/81/57/02/1349815702.db2.gz DUPIOPSOLNUOAM-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ncccc1NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593487188 1349815705 /nfs/dbraw/zinc/81/57/05/1349815705.db2.gz DUPIOPSOLNUOAM-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001604814070 1351013576 /nfs/dbraw/zinc/01/35/76/1351013576.db2.gz YBDYAIDZKOGTDP-LLVKDONJSA-N -1 3 334.376 2.141 20 5 EEBDHM COc1cc(C)ccc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605203092 1351101626 /nfs/dbraw/zinc/10/16/26/1351101626.db2.gz UTMUCSMADAECBA-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1cc(C)ccc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605203092 1351101628 /nfs/dbraw/zinc/10/16/28/1351101628.db2.gz UTMUCSMADAECBA-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724040 1351218025 /nfs/dbraw/zinc/21/80/25/1351218025.db2.gz QTCURVCOLYQFIX-ABAIWWIYSA-N -1 3 344.375 2.453 20 5 EEBDHM Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724040 1351218027 /nfs/dbraw/zinc/21/80/27/1351218027.db2.gz QTCURVCOLYQFIX-ABAIWWIYSA-N -1 3 344.375 2.453 20 5 EEBDHM Cc1cccnc1CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605947359 1351257987 /nfs/dbraw/zinc/25/79/87/1351257987.db2.gz IKRMHTOMLSPJEG-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1cccnc1CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605947359 1351257989 /nfs/dbraw/zinc/25/79/89/1351257989.db2.gz IKRMHTOMLSPJEG-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001607086901 1351412592 /nfs/dbraw/zinc/41/25/92/1351412592.db2.gz UGSYSGSOPRTXRW-PWSUYJOCSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001607086901 1351412596 /nfs/dbraw/zinc/41/25/96/1351412596.db2.gz UGSYSGSOPRTXRW-PWSUYJOCSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1CCCCN1C1CC1 ZINC001607087940 1351413129 /nfs/dbraw/zinc/41/31/29/1351413129.db2.gz BHLCFXWALPFPEK-JTQLQIEISA-N -1 3 349.420 2.265 20 5 EEBDHM O=c1[n-]ccc(NC2CCC(O)(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000853482167 1369338810 /nfs/dbraw/zinc/33/88/10/1369338810.db2.gz REHMAXHHIATJRE-UHFFFAOYSA-N -1 3 330.344 2.333 20 5 EEBDHM O=C(CCCF)N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001103653767 1371047820 /nfs/dbraw/zinc/04/78/20/1371047820.db2.gz WAYFUCCRIGLBSY-XYPYZODXSA-N -1 3 340.355 2.284 20 5 EEBDHM Cc1ncc([N+](=O)[O-])c(OCCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001592413765 1404029707 /nfs/dbraw/zinc/02/97/07/1404029707.db2.gz XSGIXNFKFQHPQD-UHFFFAOYSA-N -1 3 340.343 2.408 20 5 EEBDHM Cc1ncc([N+](=O)[O-])c(OCCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001592413765 1404029715 /nfs/dbraw/zinc/02/97/15/1404029715.db2.gz XSGIXNFKFQHPQD-UHFFFAOYSA-N -1 3 340.343 2.408 20 5 EEBDHM O=C(CCC1CC1)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091326979 790299720 /nfs/dbraw/zinc/29/97/20/790299720.db2.gz QMLGGOJLMNONTB-TXEJJXNPSA-N -1 3 334.376 2.192 20 5 EEBDHM Cc1ccccc1C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105316235 769691933 /nfs/dbraw/zinc/69/19/33/769691933.db2.gz VDOIVJYSNNOMLR-UHFFFAOYSA-N -1 3 344.371 2.212 20 5 EEBDHM Cc1cc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)oc1C ZINC001110107133 787898533 /nfs/dbraw/zinc/89/85/33/787898533.db2.gz WCGXZQUKFDVRPC-UHFFFAOYSA-N -1 3 346.343 2.280 20 5 EEBDHM C[C@H]1Cc2cc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2O1 ZINC000921591365 789792742 /nfs/dbraw/zinc/79/27/42/789792742.db2.gz SWRCMJDMVUYABR-NSHDSACASA-N -1 3 348.380 2.397 20 5 EEBDHM Cc1coc(C)c1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110125836 793436269 /nfs/dbraw/zinc/43/62/69/793436269.db2.gz VZLJOQKJVXALPJ-UHFFFAOYSA-N -1 3 346.343 2.280 20 5 EEBDHM Cc1cc(C)cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093617578 795420401 /nfs/dbraw/zinc/42/04/01/795420401.db2.gz LFFMMRUYQXQKEY-UHFFFAOYSA-N -1 3 330.344 2.154 20 5 EEBDHM Cc1cc(F)cc(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094032828 795885984 /nfs/dbraw/zinc/88/59/84/795885984.db2.gz WVYSQLMXDFTQRQ-UHFFFAOYSA-N -1 3 348.334 2.293 20 5 EEBDHM CCCc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001094076508 795917421 /nfs/dbraw/zinc/91/74/21/795917421.db2.gz LXSASZSCAYTIPX-UHFFFAOYSA-N -1 3 344.371 2.490 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccs1 ZINC001106668031 796079037 /nfs/dbraw/zinc/07/90/37/796079037.db2.gz QHNVBJCYHSTXAP-UHFFFAOYSA-N -1 3 336.373 2.331 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000804601507 810954454 /nfs/dbraw/zinc/95/44/54/810954454.db2.gz NXBUHMSSRRNJCH-NTEUORMPSA-N -1 3 338.323 2.131 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCOCC2)cc1C ZINC000183387343 235042000 /nfs/dbraw/zinc/04/20/00/235042000.db2.gz MXVMLWSMNJJYAQ-GFCCVEGCSA-N -1 3 328.390 2.059 20 5 EEBDHM O=C([N-]c1nncs1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037247914 213136433 /nfs/dbraw/zinc/13/64/33/213136433.db2.gz FEZWHRTWZUHNTO-UHFFFAOYSA-N -1 3 329.135 2.461 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000451608627 243174816 /nfs/dbraw/zinc/17/48/16/243174816.db2.gz OLOFEMCWHYLREW-UHFFFAOYSA-N -1 3 342.417 2.388 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)c1cccc([O-])c1 ZINC000078727553 217109686 /nfs/dbraw/zinc/10/96/86/217109686.db2.gz LNFVPIRCKJTZPL-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129020191 292350741 /nfs/dbraw/zinc/35/07/41/292350741.db2.gz WSLRZOWXVNMTPZ-JTQLQIEISA-N -1 3 334.369 2.217 20 5 EEBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1C(N)=O ZINC000103527100 159278712 /nfs/dbraw/zinc/27/87/12/159278712.db2.gz JLLZDPPEGOBJHT-UHFFFAOYSA-N -1 3 339.311 2.131 20 5 EEBDHM COc1cc(CNc2nnc(-c3ccncc3)o2)c([N+](=O)[O-])cc1[O-] ZINC000184889192 160020837 /nfs/dbraw/zinc/02/08/37/160020837.db2.gz SWPZNBNSQRRJBW-UHFFFAOYSA-N -1 3 343.299 2.366 20 5 EEBDHM Cc1ncc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000345134560 161275030 /nfs/dbraw/zinc/27/50/30/161275030.db2.gz USDKKIPNHBWNLD-SECBINFHSA-N -1 3 348.384 2.196 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000355718134 163279564 /nfs/dbraw/zinc/27/95/64/163279564.db2.gz VAGHUIKMFFMOOU-ZJUUUORDSA-N -1 3 348.808 2.342 20 5 EEBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000275416106 269114573 /nfs/dbraw/zinc/11/45/73/269114573.db2.gz BQYQUKSLOPTNIQ-UHFFFAOYSA-N -1 3 347.824 2.011 20 5 EEBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1C ZINC000006280176 273906215 /nfs/dbraw/zinc/90/62/15/273906215.db2.gz PBYPERHMZHFMCZ-UHFFFAOYSA-N -1 3 327.343 2.460 20 5 EEBDHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000289411840 275114437 /nfs/dbraw/zinc/11/44/37/275114437.db2.gz BCOFWYXTYMPFFF-LLVKDONJSA-N -1 3 347.412 2.133 20 5 EEBDHM COc1ccc([N-]C(=O)c2cc(CN3CCCC3)on2)cc1[N+](=O)[O-] ZINC000291770834 275338555 /nfs/dbraw/zinc/33/85/55/275338555.db2.gz WINIJQLZMQNMNJ-UHFFFAOYSA-N -1 3 346.343 2.440 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000346958858 312273420 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O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN(CC(F)F)C1CCC1 ZINC001593481302 1349812920 /nfs/dbraw/zinc/81/29/20/1349812920.db2.gz WLVUYBYTBJIZQP-UHFFFAOYSA-N -1 3 338.318 2.395 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN(CC(F)F)C1CCC1 ZINC001593481302 1349812924 /nfs/dbraw/zinc/81/29/24/1349812924.db2.gz WLVUYBYTBJIZQP-UHFFFAOYSA-N -1 3 338.318 2.395 20 5 EEBDHM CC(C)C=Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nn1 ZINC001603251138 1350672723 /nfs/dbraw/zinc/67/27/23/1350672723.db2.gz CBQRVWGDQLSYDL-UTCJRWHESA-N -1 3 340.347 2.084 20 5 EEBDHM CC(C)C=Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nn1 ZINC001603251138 1350672727 /nfs/dbraw/zinc/67/27/27/1350672727.db2.gz CBQRVWGDQLSYDL-UTCJRWHESA-N -1 3 340.347 2.084 20 5 EEBDHM C[C@@H]1CCC[C@@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC001603883929 1350791282 /nfs/dbraw/zinc/79/12/82/1350791282.db2.gz DBRMXWHFELVNCK-GHMZBOCLSA-N -1 3 343.391 2.432 20 5 EEBDHM C[C@@H]1CCC[C@@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC001603883929 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DYDLZRVLSMVGLV-ONEGZZNKSA-N -1 3 345.359 2.038 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CCC(CC1)CC2 ZINC001093658556 795520855 /nfs/dbraw/zinc/52/08/55/795520855.db2.gz VAMSOBAPTUETMB-UHFFFAOYSA-N -1 3 334.376 2.194 20 5 EEBDHM CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1[O-] ZINC001109384328 805387475 /nfs/dbraw/zinc/38/74/75/805387475.db2.gz NUHOMAGFUILMRP-UHFFFAOYSA-N -1 3 330.344 2.270 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826255375 947735842 /nfs/dbraw/zinc/73/58/42/947735842.db2.gz WEDVNCBEHVXESV-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM CC[C@@](COC)(NCc1cc([N+](=O)[O-])ccc1OC(C)C)C(=O)[O-] ZINC001595199464 979941045 /nfs/dbraw/zinc/94/10/45/979941045.db2.gz HNBVRHXVHKBFIY-INIZCTEOSA-N -1 3 340.376 2.351 20 5 EEBDHM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OCCN(C)C ZINC000416337809 239191224 /nfs/dbraw/zinc/19/12/24/239191224.db2.gz BIEBPBZTZNJADM-UHFFFAOYSA-N -1 3 348.359 2.124 20 5 EEBDHM Cc1sc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000427077204 241372338 /nfs/dbraw/zinc/37/23/38/241372338.db2.gz MPJLXFAFXUYKBV-UHFFFAOYSA-N -1 3 344.356 2.321 20 5 EEBDHM Cc1sc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000427077204 241372342 /nfs/dbraw/zinc/37/23/42/241372342.db2.gz MPJLXFAFXUYKBV-UHFFFAOYSA-N -1 3 344.356 2.321 20 5 EEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc[nH]1 ZINC000451543149 243150851 /nfs/dbraw/zinc/15/08/51/243150851.db2.gz BAFBVTKDCYRZHW-SNVBAGLBSA-N -1 3 330.391 2.055 20 5 EEBDHM COCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000452053567 243336467 /nfs/dbraw/zinc/33/64/67/243336467.db2.gz PFVAQSXEEBNGSX-UHFFFAOYSA-N -1 3 328.390 2.080 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000491598217 246082355 /nfs/dbraw/zinc/08/23/55/246082355.db2.gz DLAOVPQCAMXTFU-MRVPVSSYSA-N -1 3 332.353 2.067 20 5 EEBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271240036 256223926 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EEBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OC[C@@H]1CCOC1 ZINC000280259234 269343955 /nfs/dbraw/zinc/34/39/55/269343955.db2.gz UAEFORWPAKAZJZ-MRVPVSSYSA-N -1 3 332.715 2.014 20 5 EEBDHM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000167701612 273986393 /nfs/dbraw/zinc/98/63/93/273986393.db2.gz KFWXJTMWAGTQLT-UHFFFAOYSA-N -1 3 349.412 2.436 20 5 EEBDHM COc1ncc(C)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000174356038 278088882 /nfs/dbraw/zinc/08/88/82/278088882.db2.gz PKGIMARZNAURHU-UHFFFAOYSA-N -1 3 327.300 2.435 20 5 EEBDHM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000157436641 289287579 /nfs/dbraw/zinc/28/75/79/289287579.db2.gz ICWDXRNNUGIABF-HNNXBMFYSA-N -1 3 329.356 2.333 20 5 EEBDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000451965886 293559344 /nfs/dbraw/zinc/55/93/44/293559344.db2.gz DJXQWKDSRRFVMF-RISCZKNCSA-N -1 3 342.417 2.303 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c1C ZINC000133965548 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334.723 2.499 20 5 EEBDHM Cc1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC000822254213 606137072 /nfs/dbraw/zinc/13/70/72/606137072.db2.gz DMBYVADOSYSNIY-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC000822254213 606137074 /nfs/dbraw/zinc/13/70/74/606137074.db2.gz DMBYVADOSYSNIY-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM CCOC(=O)[C@H](CC)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821320239 606138833 /nfs/dbraw/zinc/13/88/33/606138833.db2.gz MXVSSFPPUUOUAH-JTQLQIEISA-N -1 3 337.361 2.209 20 5 EEBDHM CCOC(=O)[C@H](CC)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821320239 606138835 /nfs/dbraw/zinc/13/88/35/606138835.db2.gz MXVSSFPPUUOUAH-JTQLQIEISA-N -1 3 337.361 2.209 20 5 EEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000820623807 606242985 /nfs/dbraw/zinc/24/29/85/606242985.db2.gz ZHYMYVFRJLEFKC-HIFRSBDPSA-N -1 3 332.364 2.128 20 5 EEBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC[C@H]1O ZINC000820623807 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ZINC000822596835 607242957 /nfs/dbraw/zinc/24/29/57/607242957.db2.gz WACDFCRTAFQGSZ-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000823450304 607249129 /nfs/dbraw/zinc/24/91/29/607249129.db2.gz NMMLHADVTFYFNU-UHFFFAOYSA-N -1 3 329.247 2.133 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000823450304 607249130 /nfs/dbraw/zinc/24/91/30/607249130.db2.gz NMMLHADVTFYFNU-UHFFFAOYSA-N -1 3 329.247 2.133 20 5 EEBDHM CC1CC(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824869157 608161285 /nfs/dbraw/zinc/16/12/85/608161285.db2.gz YSENPYGQLPIUSJ-UHFFFAOYSA-N -1 3 336.739 2.413 20 5 EEBDHM CC1CC(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824869157 608161288 /nfs/dbraw/zinc/16/12/88/608161288.db2.gz YSENPYGQLPIUSJ-UHFFFAOYSA-N -1 3 336.739 2.413 20 5 EEBDHM O=Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c([N+](=O)[O-])c1 ZINC000826484254 608395554 /nfs/dbraw/zinc/39/55/54/608395554.db2.gz VCOCMPHMXUZLFO-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c([N+](=O)[O-])c1 ZINC000826484254 608395556 /nfs/dbraw/zinc/39/55/56/608395556.db2.gz VCOCMPHMXUZLFO-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826270200 609244168 /nfs/dbraw/zinc/24/41/68/609244168.db2.gz PYEGSHTVXYIDOY-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826270200 609244170 /nfs/dbraw/zinc/24/41/70/609244170.db2.gz PYEGSHTVXYIDOY-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([C@@H]2CCOC2)CC1 ZINC000826497589 609594018 /nfs/dbraw/zinc/59/40/18/609594018.db2.gz MOHKGQFBQLLVQQ-CYBMUJFWSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([C@@H]2CCOC2)CC1 ZINC000826497589 609594020 /nfs/dbraw/zinc/59/40/20/609594020.db2.gz MOHKGQFBQLLVQQ-CYBMUJFWSA-N -1 3 344.375 2.028 20 5 EEBDHM CC1(CNC(=O)CC2CC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110861998 1204932636 /nfs/dbraw/zinc/93/26/36/1204932636.db2.gz RURAILJXIDLURM-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM CC(C)=CC(=O)NCC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110868066 1204943676 /nfs/dbraw/zinc/94/36/76/1204943676.db2.gz PPEUVLXISMIDGE-UHFFFAOYSA-N -1 3 348.403 2.384 20 5 EEBDHM Cc1cc(C(=O)NCCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])oc1C ZINC001095519670 1205853481 /nfs/dbraw/zinc/85/34/81/1205853481.db2.gz UZGRNMTWECPKBQ-UHFFFAOYSA-N -1 3 348.359 2.162 20 5 EEBDHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000778005183 1207413061 /nfs/dbraw/zinc/41/30/61/1207413061.db2.gz TZKPZWICVZJVNU-LLVKDONJSA-N -1 3 344.314 2.391 20 5 EEBDHM O=C(c1ccccc1[O-])N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001057086825 1241686678 /nfs/dbraw/zinc/68/66/78/1241686678.db2.gz AVICUAKIPIWHQY-UHFFFAOYSA-N -1 3 342.355 2.048 20 5 EEBDHM Cc1ccc(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)o1 ZINC001057275408 1242980105 /nfs/dbraw/zinc/98/01/05/1242980105.db2.gz GVOJCXSDOPJIBF-UHFFFAOYSA-N -1 3 346.343 2.314 20 5 EEBDHM CCCN(CCNC(=O)c1occc1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101109537 1245415764 /nfs/dbraw/zinc/41/57/64/1245415764.db2.gz ZKKRMGILAXCGEQ-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM CC1(CCC(=O)NCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C2CC2)CC1 ZINC001101383993 1245746437 /nfs/dbraw/zinc/74/64/37/1245746437.db2.gz KLYSUDHZRFCWGL-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM O=C(NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1[O-] ZINC001057836132 1247953091 /nfs/dbraw/zinc/95/30/91/1247953091.db2.gz AFGRPCDPCBEOOF-UHFFFAOYSA-N -1 3 342.355 2.094 20 5 EEBDHM CCc1ccc(C(=O)NCCN(CC)c2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001100762028 1259228225 /nfs/dbraw/zinc/22/82/25/1259228225.db2.gz ZEJJQHGUZONKSJ-UHFFFAOYSA-N -1 3 348.359 2.107 20 5 EEBDHM CC(C)CC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110570207 1289745684 /nfs/dbraw/zinc/74/56/84/1289745684.db2.gz XRKKFOTXXMNMCV-UHFFFAOYSA-N -1 3 336.392 2.217 20 5 EEBDHM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216894133 1297326822 /nfs/dbraw/zinc/32/68/22/1297326822.db2.gz MJHUPWJERHQRTC-UHFFFAOYSA-N -1 3 339.311 2.058 20 5 EEBDHM CC(C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCCC1 ZINC001101583862 1299693856 /nfs/dbraw/zinc/69/38/56/1299693856.db2.gz RFTQNCOCLPRIRM-UHFFFAOYSA-N -1 3 334.376 2.456 20 5 EEBDHM C[C@@H]1[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225664343 1301115452 /nfs/dbraw/zinc/11/54/52/1301115452.db2.gz NIJGLVIZLOORIX-SCZZXKLOSA-N -1 3 325.321 2.082 20 5 EEBDHM COc1cnc(=O)[n-]c1OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001226829401 1301573049 /nfs/dbraw/zinc/57/30/49/1301573049.db2.gz ZQTTYSXFCFQVGQ-UHFFFAOYSA-N -1 3 346.343 2.147 20 5 EEBDHM Cc1nn(C)c(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC001307230702 1331519976 /nfs/dbraw/zinc/51/99/76/1331519976.db2.gz VKZDPJCGNZWMOH-XYPYZODXSA-N -1 3 332.364 2.271 20 5 EEBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001609345501 1351940225 /nfs/dbraw/zinc/94/02/25/1351940225.db2.gz KNWXQQZJMBMYEO-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001609345501 1351940226 /nfs/dbraw/zinc/94/02/26/1351940226.db2.gz KNWXQQZJMBMYEO-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM Cc1ncc(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001609455372 1351984616 /nfs/dbraw/zinc/98/46/16/1351984616.db2.gz RQMJPVUCPLTVHS-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM C[C@@H]1c2cccn2CCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590339647 1349274923 /nfs/dbraw/zinc/27/49/23/1349274923.db2.gz XZAQHHBOAZJKTC-LLVKDONJSA-N -1 3 339.359 2.153 20 5 EEBDHM C[C@@H]1c2cccn2CCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590339647 1349274927 /nfs/dbraw/zinc/27/49/27/1349274927.db2.gz XZAQHHBOAZJKTC-LLVKDONJSA-N -1 3 339.359 2.153 20 5 EEBDHM COc1ccc(Oc2ccc(-c3nnn[n-]3)c(C)n2)c([N+](=O)[O-])c1 ZINC001591621764 1349517711 /nfs/dbraw/zinc/51/77/11/1349517711.db2.gz XJFHHYPDFRLKOR-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1ccc(Oc2ccc(-c3nn[n-]n3)c(C)n2)c([N+](=O)[O-])c1 ZINC001591621764 1349517712 /nfs/dbraw/zinc/51/77/12/1349517712.db2.gz XJFHHYPDFRLKOR-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1sccc1-c1nnn[n-]1 ZINC001592197273 1349603255 /nfs/dbraw/zinc/60/32/55/1349603255.db2.gz GGYRAXIHSLWBTB-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)ccc1F ZINC001593247875 1349749002 /nfs/dbraw/zinc/74/90/02/1349749002.db2.gz LSCACRPAELWVDJ-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)ccc1F ZINC001593247875 1349749007 /nfs/dbraw/zinc/74/90/07/1349749007.db2.gz LSCACRPAELWVDJ-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCc2cccc(F)c21 ZINC001593466388 1349803054 /nfs/dbraw/zinc/80/30/54/1349803054.db2.gz ALKHUZOIMFFLFT-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCc2cccc(F)c21 ZINC001593466388 1349803062 /nfs/dbraw/zinc/80/30/62/1349803062.db2.gz ALKHUZOIMFFLFT-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](CO)c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001593473401 1349808446 /nfs/dbraw/zinc/80/84/46/1349808446.db2.gz AUDDYPKSPINWDC-ZDUSSCGKSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(NCC2(CO)CC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593477993 1349810511 /nfs/dbraw/zinc/81/05/11/1349810511.db2.gz NSBMRVBSBUPYPL-UHFFFAOYSA-N -1 3 344.375 2.130 20 5 EEBDHM O=[N+]([O-])c1ccc(NCC2(CO)CC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593477993 1349810518 /nfs/dbraw/zinc/81/05/18/1349810518.db2.gz NSBMRVBSBUPYPL-UHFFFAOYSA-N -1 3 344.375 2.130 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCSc2ccncc2-c2nnn[n-]2)cc1 ZINC001593481281 1349812522 /nfs/dbraw/zinc/81/25/22/1349812522.db2.gz FLPTVZBMBTWLLE-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCSc2ccncc2-c2nn[n-]n2)cc1 ZINC001593481281 1349812525 /nfs/dbraw/zinc/81/25/25/1349812525.db2.gz FLPTVZBMBTWLLE-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2cccnc2)C1 ZINC001593482028 1349814132 /nfs/dbraw/zinc/81/41/32/1349814132.db2.gz VPKJTENRKDIZKU-GFCCVEGCSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2cccnc2)C1 ZINC001593482028 1349814134 /nfs/dbraw/zinc/81/41/34/1349814134.db2.gz VPKJTENRKDIZKU-GFCCVEGCSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2ccc(F)c(-c3nnn[n-]3)c2)nc1C1CC1 ZINC001593486487 1349815040 /nfs/dbraw/zinc/81/50/40/1349815040.db2.gz VIODEXSTPXXFCT-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cn(Cc2ccc(F)c(-c3nn[n-]n3)c2)nc1C1CC1 ZINC001593486487 1349815044 /nfs/dbraw/zinc/81/50/44/1349815044.db2.gz VIODEXSTPXXFCT-UHFFFAOYSA-N -1 3 329.295 2.036 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCCCC2(F)F)c(-c2nnn[n-]2)c1 ZINC001593485042 1349815226 /nfs/dbraw/zinc/81/52/26/1349815226.db2.gz OVCBXEKNGWLCAR-QMMMGPOBSA-N -1 3 339.306 2.407 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCCCC2(F)F)c(-c2nn[n-]n2)c1 ZINC001593485042 1349815228 /nfs/dbraw/zinc/81/52/28/1349815228.db2.gz OVCBXEKNGWLCAR-QMMMGPOBSA-N -1 3 339.306 2.407 20 5 EEBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CC(F)F ZINC001603150931 1350650575 /nfs/dbraw/zinc/65/05/75/1350650575.db2.gz ZHXGWXJZAATTIZ-UHFFFAOYSA-N -1 3 341.322 2.450 20 5 EEBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CC(F)F ZINC001603150931 1350650581 /nfs/dbraw/zinc/65/05/81/1350650581.db2.gz ZHXGWXJZAATTIZ-UHFFFAOYSA-N -1 3 341.322 2.450 20 5 EEBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603818569 1350775873 /nfs/dbraw/zinc/77/58/73/1350775873.db2.gz IETFBPAODRBHNV-CJNGLKHVSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603818569 1350775879 /nfs/dbraw/zinc/77/58/79/1350775879.db2.gz IETFBPAODRBHNV-CJNGLKHVSA-N -1 3 337.343 2.312 20 5 EEBDHM C[C@@H]1C[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC001603850060 1350782849 /nfs/dbraw/zinc/78/28/49/1350782849.db2.gz BMJPBSKSVTVBQQ-IWSPIJDZSA-N -1 3 336.327 2.139 20 5 EEBDHM C[C@@H]1C[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC001603850060 1350782855 /nfs/dbraw/zinc/78/28/55/1350782855.db2.gz BMJPBSKSVTVBQQ-IWSPIJDZSA-N -1 3 336.327 2.139 20 5 EEBDHM CC1CCC(O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001603881095 1350790543 /nfs/dbraw/zinc/79/05/43/1350790543.db2.gz KKAOQTPAQOMSHW-UHFFFAOYSA-N -1 3 332.364 2.128 20 5 EEBDHM CC1CCC(O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001603881095 1350790544 /nfs/dbraw/zinc/79/05/44/1350790544.db2.gz KKAOQTPAQOMSHW-UHFFFAOYSA-N -1 3 332.364 2.128 20 5 EEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001604111467 1350861926 /nfs/dbraw/zinc/86/19/26/1350861926.db2.gz FNJVSYSLBREMTF-QWRGUYRKSA-N -1 3 332.364 2.087 20 5 EEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001604111467 1350861928 /nfs/dbraw/zinc/86/19/28/1350861928.db2.gz FNJVSYSLBREMTF-QWRGUYRKSA-N -1 3 332.364 2.087 20 5 EEBDHM CCN(CC)C(=S)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604281802 1350908313 /nfs/dbraw/zinc/90/83/13/1350908313.db2.gz KBNLEGUAHZAFNX-UHFFFAOYSA-N -1 3 338.418 2.494 20 5 EEBDHM CCN(CC)C(=S)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604281802 1350908316 /nfs/dbraw/zinc/90/83/16/1350908316.db2.gz KBNLEGUAHZAFNX-UHFFFAOYSA-N -1 3 338.418 2.494 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC001605177355 1351096778 /nfs/dbraw/zinc/09/67/78/1351096778.db2.gz VHYBPXVBZOFDSH-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC001605177355 1351096782 /nfs/dbraw/zinc/09/67/82/1351096782.db2.gz VHYBPXVBZOFDSH-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM Cc1c(C(=O)OCc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC001605484474 1351169126 /nfs/dbraw/zinc/16/91/26/1351169126.db2.gz YJIJEJKBKKCXOG-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1c(C(=O)OCc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC001605484474 1351169128 /nfs/dbraw/zinc/16/91/28/1351169128.db2.gz YJIJEJKBKKCXOG-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607053246 1351404328 /nfs/dbraw/zinc/40/43/28/1351404328.db2.gz UJPHKYCKGPZYKC-NTUHNPAUSA-N -1 3 334.295 2.268 20 5 EEBDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607053246 1351404330 /nfs/dbraw/zinc/40/43/30/1351404330.db2.gz UJPHKYCKGPZYKC-NTUHNPAUSA-N -1 3 334.295 2.268 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(Br)CC1 ZINC001607079468 1351408725 /nfs/dbraw/zinc/40/87/25/1351408725.db2.gz LEMBTBHKHXGWOU-UHFFFAOYSA-N -1 3 339.153 2.114 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(Br)CC1 ZINC001607079468 1351408729 /nfs/dbraw/zinc/40/87/29/1351408729.db2.gz LEMBTBHKHXGWOU-UHFFFAOYSA-N -1 3 339.153 2.114 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC2(CCOCC2)CC1 ZINC001607083449 1351410812 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NC(=O)C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC001608232015 1351653156 /nfs/dbraw/zinc/65/31/56/1351653156.db2.gz XQKQNEZXZGPENE-CQSZACIVSA-N -1 3 349.387 2.207 20 5 EEBDHM Cc1c(OC(=O)c2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC001591831479 1403954329 /nfs/dbraw/zinc/95/43/29/1403954329.db2.gz WSVWWORCYXIFBM-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1c(OC(=O)c2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC001591831479 1403954334 /nfs/dbraw/zinc/95/43/34/1403954334.db2.gz WSVWWORCYXIFBM-UHFFFAOYSA-N -1 3 343.274 2.442 20 5 EEBDHM Cc1cc(N2CCCO[C@@H](C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592006035 1403982528 /nfs/dbraw/zinc/98/25/28/1403982528.db2.gz OATXLHAOCCBCOG-OAHLLOKOSA-N -1 3 346.391 2.335 20 5 EEBDHM Cc1cc(N2CCCO[C@@H](C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592006035 1403982533 /nfs/dbraw/zinc/98/25/33/1403982533.db2.gz OATXLHAOCCBCOG-OAHLLOKOSA-N -1 3 346.391 2.335 20 5 EEBDHM Cc1nsc(NCCOc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC001606160858 1404771455 /nfs/dbraw/zinc/77/14/55/1404771455.db2.gz BDUKFMLHWUZEFD-UHFFFAOYSA-N -1 3 347.360 2.031 20 5 EEBDHM C/C=C(\C)C(=O)N1CCC(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001062212510 787635913 /nfs/dbraw/zinc/63/59/13/787635913.db2.gz NRBJBYKYMDJVRZ-UUILKARUSA-N -1 3 348.403 2.336 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CCC(CC1)C2 ZINC001107579853 787735848 /nfs/dbraw/zinc/73/58/48/787735848.db2.gz GRTQECVQWPFORU-UPHRSURJSA-N -1 3 346.387 2.360 20 5 EEBDHM Cc1cccc(CC(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001094759070 796543189 /nfs/dbraw/zinc/54/31/89/796543189.db2.gz COFRVWYPFVOILZ-UHFFFAOYSA-N -1 3 344.371 2.165 20 5 EEBDHM CC1(C)CC(CC(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001094723923 796546420 /nfs/dbraw/zinc/54/64/20/796546420.db2.gz GHVZTIBAXQCSHY-UHFFFAOYSA-N -1 3 336.392 2.440 20 5 EEBDHM O=[N+]([O-])c1ccc(Br)c(CSCCc2nnn[n-]2)c1 ZINC000917867196 798390305 /nfs/dbraw/zinc/39/03/05/798390305.db2.gz WFYHMQLWYYKDGD-UHFFFAOYSA-N -1 3 344.194 2.346 20 5 EEBDHM O=[N+]([O-])c1ccc(Br)c(CSCCc2nn[n-]n2)c1 ZINC000917867196 798390310 /nfs/dbraw/zinc/39/03/10/798390310.db2.gz WFYHMQLWYYKDGD-UHFFFAOYSA-N -1 3 344.194 2.346 20 5 EEBDHM Cc1ccncc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826315171 947921372 /nfs/dbraw/zinc/92/13/72/947921372.db2.gz AGHHNCBHEYOBMJ-SECBINFHSA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1ccncc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826315171 947921380 /nfs/dbraw/zinc/92/13/80/947921380.db2.gz AGHHNCBHEYOBMJ-SECBINFHSA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001540586769 948550130 /nfs/dbraw/zinc/55/01/30/948550130.db2.gz LLPJDECLPHGXAT-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001540586769 948550133 /nfs/dbraw/zinc/55/01/33/948550133.db2.gz LLPJDECLPHGXAT-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589443919 986792488 /nfs/dbraw/zinc/79/24/88/986792488.db2.gz GGDWNRBPKDWRJS-PEBVRCNWSA-N -1 3 347.371 2.109 20 5 EEBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000053671531 214193731 /nfs/dbraw/zinc/19/37/31/214193731.db2.gz SUNIXLAXRCFWSD-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000098039012 219073320 /nfs/dbraw/zinc/07/33/20/219073320.db2.gz UZLLUPXCIWLVBN-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM Cc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000173685603 255826999 /nfs/dbraw/zinc/82/69/99/255826999.db2.gz RXEYRYWXUAFUAH-LBPRGKRZSA-N -1 3 342.355 2.330 20 5 EEBDHM Cn1cnc(C[N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000271080688 256205326 /nfs/dbraw/zinc/20/53/26/256205326.db2.gz VOQUKJDVNHNFNS-UHFFFAOYSA-N -1 3 346.225 2.262 20 5 EEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000074973741 292178995 /nfs/dbraw/zinc/17/89/95/292178995.db2.gz UJFQRYIICFPETI-LBPRGKRZSA-N -1 3 334.369 2.073 20 5 EEBDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000377380414 154170732 /nfs/dbraw/zinc/17/07/32/154170732.db2.gz DHULHLQKJRQAHD-BMIGLBTASA-N -1 3 334.353 2.395 20 5 EEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119143235 159372203 /nfs/dbraw/zinc/37/22/03/159372203.db2.gz CDBNVXNRKPNFIN-CQSZACIVSA-N -1 3 344.433 2.287 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000190006935 160153731 /nfs/dbraw/zinc/15/37/31/160153731.db2.gz BCLWKFMYLCBCIS-CHWSQXEVSA-N -1 3 342.417 2.041 20 5 EEBDHM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341919277 161024106 /nfs/dbraw/zinc/02/41/06/161024106.db2.gz HZRSMXDDRYAHTL-UHFFFAOYSA-N -1 3 343.274 2.273 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c2ncccc12 ZINC000344908423 161255466 /nfs/dbraw/zinc/25/54/66/161255466.db2.gz MDULIRYKBRSUAY-VHSXEESVSA-N -1 3 339.348 2.312 20 5 EEBDHM COC[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000272843397 274183931 /nfs/dbraw/zinc/18/39/31/274183931.db2.gz NIRLHAYATMLEIV-QMMMGPOBSA-N -1 3 346.386 2.452 20 5 EEBDHM CSCCO[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000280842201 274603430 /nfs/dbraw/zinc/60/34/30/274603430.db2.gz LZTPJPBSFNFTLR-UHFFFAOYSA-N -1 3 335.179 2.382 20 5 EEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000288624317 275077195 /nfs/dbraw/zinc/07/71/95/275077195.db2.gz MVQROSACHKYMGL-ZETCQYMHSA-N -1 3 326.296 2.386 20 5 EEBDHM Cc1cc([N-]C(=O)[C@H](C)N2CCOc3ccc([N+](=O)[O-])cc3C2)on1 ZINC000352705258 280615161 /nfs/dbraw/zinc/61/51/61/280615161.db2.gz IZEXCRBUXOHUBV-NSHDSACASA-N -1 3 346.343 2.113 20 5 EEBDHM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000293694580 293272862 /nfs/dbraw/zinc/27/28/62/293272862.db2.gz MSZYQQUJVXRAAZ-GFCCVEGCSA-N -1 3 333.388 2.247 20 5 EEBDHM CS(=O)(=O)c1cccc(NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000301876989 294906265 /nfs/dbraw/zinc/90/62/65/294906265.db2.gz IXIJEFCYYPYRIH-UHFFFAOYSA-N -1 3 340.332 2.455 20 5 EEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330617620 311770655 /nfs/dbraw/zinc/77/06/55/311770655.db2.gz WQWBNNBPEWNPHQ-WCBMZHEXSA-N -1 3 334.781 2.094 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416592360 313267788 /nfs/dbraw/zinc/26/77/88/313267788.db2.gz MTXPWILBIRXSQF-GHMZBOCLSA-N -1 3 332.353 2.162 20 5 EEBDHM COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000442646811 315203555 /nfs/dbraw/zinc/20/35/55/315203555.db2.gz IDGHKKNLJIBPHI-UHFFFAOYSA-N -1 3 331.328 2.151 20 5 EEBDHM COCC1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCCC1 ZINC000518398363 316725140 /nfs/dbraw/zinc/72/51/40/316725140.db2.gz QBZOGPHMBRMVPX-UHFFFAOYSA-N -1 3 342.417 2.449 20 5 EEBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)cn1 ZINC000533331228 317908979 /nfs/dbraw/zinc/90/89/79/317908979.db2.gz IZGXYUQWLNAYJV-UHFFFAOYSA-N -1 3 335.385 2.446 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000492851677 448312725 /nfs/dbraw/zinc/31/27/25/448312725.db2.gz JKGGJUCHAOGLPM-SREVYHEPSA-N -1 3 330.300 2.147 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[n-]n1 ZINC000492851677 448312728 /nfs/dbraw/zinc/31/27/28/448312728.db2.gz JKGGJUCHAOGLPM-SREVYHEPSA-N -1 3 330.300 2.147 20 5 EEBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000047542334 462796910 /nfs/dbraw/zinc/79/69/10/462796910.db2.gz XLYZRRUXBJWTEF-UHFFFAOYSA-N -1 3 341.776 2.430 20 5 EEBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000042114395 463542218 /nfs/dbraw/zinc/54/22/18/463542218.db2.gz ITFLYZLLTCGRME-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072993730 463571837 /nfs/dbraw/zinc/57/18/37/463571837.db2.gz YENDWENJIYUBKS-VIFPVBQESA-N -1 3 325.346 2.239 20 5 EEBDHM Cc1nscc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170072903 463674242 /nfs/dbraw/zinc/67/42/42/463674242.db2.gz DJQHMJXGDWJIRO-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)cc1C ZINC000188933449 464400215 /nfs/dbraw/zinc/40/02/15/464400215.db2.gz QMCSCNDXDSUGQH-OLZOCXBDSA-N -1 3 342.417 2.041 20 5 EEBDHM CC[C@@H](C)NC(=O)[C@@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272078645 464471491 /nfs/dbraw/zinc/47/14/91/464471491.db2.gz FBEQIJHHBVFLMT-NXEZZACHSA-N -1 3 343.330 2.106 20 5 EEBDHM CCc1nnc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272231274 464528766 /nfs/dbraw/zinc/52/87/66/464528766.db2.gz VPVDMQZCCMGJOW-QMMMGPOBSA-N -1 3 339.302 2.245 20 5 EEBDHM CCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272231274 464528769 /nfs/dbraw/zinc/52/87/69/464528769.db2.gz VPVDMQZCCMGJOW-QMMMGPOBSA-N -1 3 339.302 2.245 20 5 EEBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000295239713 464757900 /nfs/dbraw/zinc/75/79/00/464757900.db2.gz DKQMBUKGDGQQDP-LLVKDONJSA-N -1 3 338.389 2.159 20 5 EEBDHM Cc1noc(C)c1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000340260118 465930575 /nfs/dbraw/zinc/93/05/75/465930575.db2.gz POFISRGBADLFDK-UHFFFAOYSA-N -1 3 342.315 2.341 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[n-]1 ZINC000591532892 468480203 /nfs/dbraw/zinc/48/02/03/468480203.db2.gz JHPAEOGPLNNBJV-UHFFFAOYSA-N -1 3 332.316 2.364 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c[n-]1 ZINC000591532892 468480208 /nfs/dbraw/zinc/48/02/08/468480208.db2.gz JHPAEOGPLNNBJV-UHFFFAOYSA-N -1 3 332.316 2.364 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)cc1[N+](=O)[O-] ZINC000420700476 467457978 /nfs/dbraw/zinc/45/79/78/467457978.db2.gz ORQKYTQPXQLDGW-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592115241 468629709 /nfs/dbraw/zinc/62/97/09/468629709.db2.gz SNKFOKHKGKRXJW-CBAPKCEASA-N -1 3 336.822 2.421 20 5 EEBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756171 468675667 /nfs/dbraw/zinc/67/56/67/468675667.db2.gz YTJOVVTYFUFXME-SNVBAGLBSA-N -1 3 335.385 2.467 20 5 EEBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594846582 468703313 /nfs/dbraw/zinc/70/33/13/468703313.db2.gz AGZHHKJIZCTAGE-UHFFFAOYSA-N -1 3 334.369 2.217 20 5 EEBDHM C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592769115 468780796 /nfs/dbraw/zinc/78/07/96/468780796.db2.gz HTRQYXFJJMGONT-SKDRFNHKSA-N -1 3 341.795 2.366 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC000601388580 468854144 /nfs/dbraw/zinc/85/41/44/468854144.db2.gz VXACDAPHZUHOSJ-NSHDSACASA-N -1 3 346.380 2.280 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000595521179 468886468 /nfs/dbraw/zinc/88/64/68/468886468.db2.gz XCAZLHVHMXPCNV-UHFFFAOYSA-N -1 3 332.360 2.432 20 5 EEBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000598736432 468978747 /nfs/dbraw/zinc/97/87/47/468978747.db2.gz WLOPNNZJYVWYEM-LLVKDONJSA-N -1 3 336.373 2.041 20 5 EEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ccnc(COC)n1 ZINC000598875957 469035339 /nfs/dbraw/zinc/03/53/39/469035339.db2.gz OZGYSQCRHCEANU-UHFFFAOYSA-N -1 3 332.316 2.182 20 5 EEBDHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742385 469118687 /nfs/dbraw/zinc/11/86/87/469118687.db2.gz ZQOFAGZXWQHXHB-XNHOIOAFSA-N -1 3 332.356 2.148 20 5 EEBDHM CC(C)OCCOC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596262486 469225220 /nfs/dbraw/zinc/22/52/20/469225220.db2.gz XEOMWZUBBIBNBS-UHFFFAOYSA-N -1 3 325.365 2.106 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000619497157 469625910 /nfs/dbraw/zinc/62/59/10/469625910.db2.gz MHWARDWHZDCWQX-SSDOTTSWSA-N -1 3 342.295 2.223 20 5 EEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775908961 577448536 /nfs/dbraw/zinc/44/85/36/577448536.db2.gz YRBVZASUVJKJJJ-UHFFFAOYSA-N -1 3 349.656 2.315 20 5 EEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775908961 577448537 /nfs/dbraw/zinc/44/85/37/577448537.db2.gz YRBVZASUVJKJJJ-UHFFFAOYSA-N -1 3 349.656 2.315 20 5 EEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000775908961 577448538 /nfs/dbraw/zinc/44/85/38/577448538.db2.gz YRBVZASUVJKJJJ-UHFFFAOYSA-N -1 3 349.656 2.315 20 5 EEBDHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc(F)cc2[N+](=O)[O-])on1 ZINC000758114978 577616086 /nfs/dbraw/zinc/61/60/86/577616086.db2.gz VFXFUTGZBWFXLG-QMMMGPOBSA-N -1 3 337.263 2.214 20 5 EEBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736157798 578183680 /nfs/dbraw/zinc/18/36/80/578183680.db2.gz MTTHKSZYRHBRTL-QMMMGPOBSA-N -1 3 329.272 2.286 20 5 EEBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736157798 578183681 /nfs/dbraw/zinc/18/36/81/578183681.db2.gz MTTHKSZYRHBRTL-QMMMGPOBSA-N -1 3 329.272 2.286 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]2CCO[C@@H]21 ZINC000736208089 578187333 /nfs/dbraw/zinc/18/73/33/578187333.db2.gz VYEPODYRUKRYLB-WQAKAFBOSA-N -1 3 330.348 2.000 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]2CCO[C@@H]21 ZINC000736208089 578187334 /nfs/dbraw/zinc/18/73/34/578187334.db2.gz VYEPODYRUKRYLB-WQAKAFBOSA-N -1 3 330.348 2.000 20 5 EEBDHM CS[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737179870 578242506 /nfs/dbraw/zinc/24/25/06/578242506.db2.gz NRGAOUWCVAILMB-WCBMZHEXSA-N -1 3 335.393 2.256 20 5 EEBDHM CS[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737179870 578242507 /nfs/dbraw/zinc/24/25/07/578242507.db2.gz NRGAOUWCVAILMB-WCBMZHEXSA-N -1 3 335.393 2.256 20 5 EEBDHM Cc1nn(Cc2cccc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501014 607304834 /nfs/dbraw/zinc/30/48/34/607304834.db2.gz RAWHMEQBYUDOCE-UHFFFAOYSA-N -1 3 335.327 2.481 20 5 EEBDHM Cc1nn(Cc2cccc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501014 607304835 /nfs/dbraw/zinc/30/48/35/607304835.db2.gz RAWHMEQBYUDOCE-UHFFFAOYSA-N -1 3 335.327 2.481 20 5 EEBDHM CCc1cnc(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC000821497541 607347789 /nfs/dbraw/zinc/34/77/89/607347789.db2.gz VQMXUHFDLCFGHF-UHFFFAOYSA-N -1 3 345.388 2.448 20 5 EEBDHM CO[C@@H](C)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821673507 599516248 /nfs/dbraw/zinc/51/62/48/599516248.db2.gz DHDOBUAJEFUFFO-VIFPVBQESA-N -1 3 343.347 2.160 20 5 EEBDHM CO[C@@H](C)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821673507 599516249 /nfs/dbraw/zinc/51/62/49/599516249.db2.gz DHDOBUAJEFUFFO-VIFPVBQESA-N -1 3 343.347 2.160 20 5 EEBDHM CC(C)C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820054558 599686279 /nfs/dbraw/zinc/68/62/79/599686279.db2.gz BIWXDYSACBFOCA-NSHDSACASA-N -1 3 334.380 2.232 20 5 EEBDHM CC(C)C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820054558 599686280 /nfs/dbraw/zinc/68/62/80/599686280.db2.gz BIWXDYSACBFOCA-NSHDSACASA-N -1 3 334.380 2.232 20 5 EEBDHM O=[N+]([O-])c1ccc(SCCOc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823643787 607467011 /nfs/dbraw/zinc/46/70/11/607467011.db2.gz ATIYUOPTNYUKPD-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1ccc(SCCOc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823643787 607467013 /nfs/dbraw/zinc/46/70/13/607467013.db2.gz ATIYUOPTNYUKPD-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM Cc1c(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822128912 606515308 /nfs/dbraw/zinc/51/53/08/606515308.db2.gz GDLHUMJRUJUZKY-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1c(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822128912 606515309 /nfs/dbraw/zinc/51/53/09/606515309.db2.gz GDLHUMJRUJUZKY-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822684762 607243944 /nfs/dbraw/zinc/24/39/44/607243944.db2.gz GZHGFKNHHZIDRJ-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822684762 607243945 /nfs/dbraw/zinc/24/39/45/607243945.db2.gz GZHGFKNHHZIDRJ-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824198396 607819815 /nfs/dbraw/zinc/81/98/15/607819815.db2.gz BXAHFJRWDFNVIO-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824198396 607819816 /nfs/dbraw/zinc/81/98/16/607819816.db2.gz BXAHFJRWDFNVIO-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000826276510 608277233 /nfs/dbraw/zinc/27/72/33/608277233.db2.gz JOSNXIKHDWILHE-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000826276510 608277234 /nfs/dbraw/zinc/27/72/34/608277234.db2.gz JOSNXIKHDWILHE-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000255070511 675755476 /nfs/dbraw/zinc/75/54/76/675755476.db2.gz GFHPNRFONJTVSR-LCYFTJDESA-N -1 3 339.307 2.326 20 5 EEBDHM O=C(c1cc2c(cc1[O-])OCO2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000436753724 694574317 /nfs/dbraw/zinc/57/43/17/694574317.db2.gz FZTAAMVYOZPSEE-UHFFFAOYSA-N -1 3 328.280 2.232 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(C)(C)C ZINC001105444360 1187182334 /nfs/dbraw/zinc/18/23/34/1187182334.db2.gz BBBQWWBCXJDYBY-UHFFFAOYSA-N -1 3 338.408 2.416 20 5 EEBDHM COc1cc(Cl)cnc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212936852 1214667708 /nfs/dbraw/zinc/66/77/08/1214667708.db2.gz ACUUMSIVRYDFAW-UHFFFAOYSA-N -1 3 349.690 2.469 20 5 EEBDHM CN(C(=O)/C=C\C1CC1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001096099617 1234849784 /nfs/dbraw/zinc/84/97/84/1234849784.db2.gz SLUDKMQKKUUFMR-PLNGDYQASA-N -1 3 346.387 2.089 20 5 EEBDHM CC/C=C(/C)C(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001096108381 1234957826 /nfs/dbraw/zinc/95/78/26/1234957826.db2.gz PNWNWTIWVCJPMF-XGICHPGQSA-N -1 3 348.403 2.479 20 5 EEBDHM CC(C)(F)C(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057464676 1243861526 /nfs/dbraw/zinc/86/15/26/1243861526.db2.gz GXDAPKYNASGICQ-UHFFFAOYSA-N -1 3 340.355 2.094 20 5 EEBDHM CC/C(C)=C\C(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095353949 1296774768 /nfs/dbraw/zinc/77/47/68/1296774768.db2.gz SFFRNFBMALAVPJ-BENRWUELSA-N -1 3 348.403 2.384 20 5 EEBDHM CCOC(=O)[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692006 1301931652 /nfs/dbraw/zinc/93/16/52/1301931652.db2.gz SFZONGPCUIVQSJ-MGCOHNPYSA-N -1 3 334.332 2.367 20 5 EEBDHM CCOC(=O)[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)CO1 ZINC001228676145 1302374797 /nfs/dbraw/zinc/37/47/97/1302374797.db2.gz WNFNVSGPZGXOPM-QMTHXVAHSA-N -1 3 349.343 2.269 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[n-]n1 ZINC000781430553 1303794176 /nfs/dbraw/zinc/79/41/76/1303794176.db2.gz LHDUEPFYBPTGLS-UHFFFAOYSA-N -1 3 338.707 2.400 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[n-]1 ZINC000781430553 1303794179 /nfs/dbraw/zinc/79/41/79/1303794179.db2.gz LHDUEPFYBPTGLS-UHFFFAOYSA-N -1 3 338.707 2.400 20 5 EEBDHM Cc1cc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CCC2)co1 ZINC001111787442 1303886910 /nfs/dbraw/zinc/88/69/10/1303886910.db2.gz MBPJTSOTXDGTIV-UHFFFAOYSA-N -1 3 346.343 2.361 20 5 EEBDHM CN1CC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743591 1305017903 /nfs/dbraw/zinc/01/79/03/1305017903.db2.gz DTVRIELJEWGXEU-LBPRGKRZSA-N -1 3 327.336 2.440 20 5 EEBDHM O=C(Nc1cccc2c(=O)[nH]ccc12)c1cc([N+](=O)[O-])cnc1[O-] ZINC001306841543 1331490954 /nfs/dbraw/zinc/49/09/54/1331490954.db2.gz DKWMYXAPYSOVSE-UHFFFAOYSA-N -1 3 326.268 2.202 20 5 EEBDHM O=C(Nc1cccc2c(=O)[nH]ccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306841543 1331490955 /nfs/dbraw/zinc/49/09/55/1331490955.db2.gz DKWMYXAPYSOVSE-UHFFFAOYSA-N -1 3 326.268 2.202 20 5 EEBDHM COc1cc(NCCc2c(C)[n-][nH]c2=O)c(Cl)cc1[N+](=O)[O-] ZINC001306967970 1331503466 /nfs/dbraw/zinc/50/34/66/1331503466.db2.gz HTHWFLFYBGHNIS-MRVPVSSYSA-N -1 3 326.740 2.181 20 5 EEBDHM CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309924849 1331647783 /nfs/dbraw/zinc/64/77/83/1331647783.db2.gz IMNHRINUQRZDNM-LLVKDONJSA-N -1 3 347.824 2.011 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC001609147173 1351861517 /nfs/dbraw/zinc/86/15/17/1351861517.db2.gz NKLGRLRHXOYDMV-KGLIPLIRSA-N -1 3 344.375 2.169 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC001609147173 1351861522 /nfs/dbraw/zinc/86/15/22/1351861522.db2.gz NKLGRLRHXOYDMV-KGLIPLIRSA-N -1 3 344.375 2.169 20 5 EEBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](CC)O1 ZINC001609202841 1351889417 /nfs/dbraw/zinc/88/94/17/1351889417.db2.gz QPZIOMKAZVOFOY-RYUDHWBXSA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](CC)O1 ZINC001609202841 1351889418 /nfs/dbraw/zinc/88/94/18/1351889418.db2.gz QPZIOMKAZVOFOY-RYUDHWBXSA-N -1 3 332.364 2.169 20 5 EEBDHM O=C(c1ccccc1)N1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001328508089 1334470596 /nfs/dbraw/zinc/47/05/96/1334470596.db2.gz VPGPKXRIQWFYCJ-ZDUSSCGKSA-N -1 3 342.355 2.412 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC001609338115 1351938043 /nfs/dbraw/zinc/93/80/43/1351938043.db2.gz GEEOBCDUGULBMJ-UHFFFAOYSA-N -1 3 341.327 2.405 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC001609338115 1351938046 /nfs/dbraw/zinc/93/80/46/1351938046.db2.gz GEEOBCDUGULBMJ-UHFFFAOYSA-N -1 3 341.327 2.405 20 5 EEBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCCC(C)(C)C1 ZINC001345095452 1337425712 /nfs/dbraw/zinc/42/57/12/1337425712.db2.gz ITEQOLHXQJSMJX-UHFFFAOYSA-N -1 3 332.364 2.117 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001582805027 1344792942 /nfs/dbraw/zinc/79/29/42/1344792942.db2.gz WIXUNLIGGKCACL-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001582805027 1344792945 /nfs/dbraw/zinc/79/29/45/1344792945.db2.gz WIXUNLIGGKCACL-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM CC(C)(C)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589104921 1348961094 /nfs/dbraw/zinc/96/10/94/1348961094.db2.gz KCWSPNFGYNUFCG-AWEZNQCLSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)(C)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589104921 1348961097 /nfs/dbraw/zinc/96/10/97/1348961097.db2.gz KCWSPNFGYNUFCG-AWEZNQCLSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)OC(=O)CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589803402 1349047446 /nfs/dbraw/zinc/04/74/46/1349047446.db2.gz QDJCKSZDJICTPN-SNVBAGLBSA-N -1 3 348.363 2.307 20 5 EEBDHM CC(C)OC(=O)CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589803402 1349047453 /nfs/dbraw/zinc/04/74/53/1349047453.db2.gz QDJCKSZDJICTPN-SNVBAGLBSA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001589875672 1349054129 /nfs/dbraw/zinc/05/41/29/1349054129.db2.gz HPASUUVBWUIQMY-SECBINFHSA-N -1 3 348.363 2.165 20 5 EEBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001589875672 1349054133 /nfs/dbraw/zinc/05/41/33/1349054133.db2.gz HPASUUVBWUIQMY-SECBINFHSA-N -1 3 348.363 2.165 20 5 EEBDHM CCc1noc(C)c1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590934739 1349420194 /nfs/dbraw/zinc/42/01/94/1349420194.db2.gz XAEPXNUPQWFADG-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)cc1 ZINC001590945078 1349421830 /nfs/dbraw/zinc/42/18/30/1349421830.db2.gz VUILSDAKVUOTRD-UHFFFAOYSA-N -1 3 331.361 2.451 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)cc1 ZINC001590945078 1349421843 /nfs/dbraw/zinc/42/18/43/1349421843.db2.gz VUILSDAKVUOTRD-UHFFFAOYSA-N -1 3 331.361 2.451 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001592197601 1349603406 /nfs/dbraw/zinc/60/34/06/1349603406.db2.gz MTGWWCFHZYSUFD-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001592197601 1349603417 /nfs/dbraw/zinc/60/34/17/1349603417.db2.gz MTGWWCFHZYSUFD-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1csc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001592314144 1349619631 /nfs/dbraw/zinc/61/96/31/1349619631.db2.gz FJJICFRJGULNMN-SSDOTTSWSA-N -1 3 346.376 2.150 20 5 EEBDHM Cc1csc([C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001592314144 1349619634 /nfs/dbraw/zinc/61/96/34/1349619634.db2.gz FJJICFRJGULNMN-SSDOTTSWSA-N -1 3 346.376 2.150 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001593300118 1349772890 /nfs/dbraw/zinc/77/28/90/1349772890.db2.gz OFDAGDVCZMCLRC-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001593300118 1349772892 /nfs/dbraw/zinc/77/28/92/1349772892.db2.gz OFDAGDVCZMCLRC-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)CC1CCCC1 ZINC001593468919 1349804940 /nfs/dbraw/zinc/80/49/40/1349804940.db2.gz VYUCNCKCMWOHAP-LBPRGKRZSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)CC1CCCC1 ZINC001593468919 1349804945 /nfs/dbraw/zinc/80/49/45/1349804945.db2.gz VYUCNCKCMWOHAP-LBPRGKRZSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(NCC2(c3ccccn3)CC2)ccc1-c1nnn[n-]1 ZINC001593473538 1349807817 /nfs/dbraw/zinc/80/78/17/1349807817.db2.gz HALGJDXXIIBFMN-UHFFFAOYSA-N -1 3 337.343 2.314 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC001593474633 1349808576 /nfs/dbraw/zinc/80/85/76/1349808576.db2.gz QZSQDOIOLHMOMK-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC001593474633 1349808580 /nfs/dbraw/zinc/80/85/80/1349808580.db2.gz QZSQDOIOLHMOMK-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H](C1CC1)C1CCOCC1 ZINC001593475941 1349809497 /nfs/dbraw/zinc/80/94/97/1349809497.db2.gz RVAXYRCFCYNXKI-HNNXBMFYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H](C1CC1)C1CCOCC1 ZINC001593475941 1349809512 /nfs/dbraw/zinc/80/95/12/1349809512.db2.gz RVAXYRCFCYNXKI-HNNXBMFYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccncc3)cc(-c3nnn[n-]3)c2c1 ZINC001593480212 1349812545 /nfs/dbraw/zinc/81/25/45/1349812545.db2.gz KBCPIXBPVYOHKI-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccncc3)cc(-c3nn[n-]n3)c2c1 ZINC001593480212 1349812550 /nfs/dbraw/zinc/81/25/50/1349812550.db2.gz KBCPIXBPVYOHKI-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cnn2ccccc12 ZINC001593483566 1349814457 /nfs/dbraw/zinc/81/44/57/1349814457.db2.gz VVYHVPUWIMAZIQ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cnn2ccccc12 ZINC001593483566 1349814461 /nfs/dbraw/zinc/81/44/61/1349814461.db2.gz VVYHVPUWIMAZIQ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(-c2nnn[n-]2)c1 ZINC001593485708 1349815418 /nfs/dbraw/zinc/81/54/18/1349815418.db2.gz WMIQNLQUDXICRI-WHFVKQHSSA-N -1 3 337.290 2.016 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(-c2nn[n-]n2)c1 ZINC001593485708 1349815426 /nfs/dbraw/zinc/81/54/26/1349815426.db2.gz WMIQNLQUDXICRI-WHFVKQHSSA-N -1 3 337.290 2.016 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001600488552 1350063633 /nfs/dbraw/zinc/06/36/33/1350063633.db2.gz WYUXFNDYCPPDPB-PBHICJAKSA-N -1 3 347.371 2.171 20 5 EEBDHM CCOc1cccc(NCc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC001604465453 1350943095 /nfs/dbraw/zinc/94/30/95/1350943095.db2.gz HTPIGSMCRLSFLI-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM CCOc1cccc(NCc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC001604465453 1350943097 /nfs/dbraw/zinc/94/30/97/1350943097.db2.gz HTPIGSMCRLSFLI-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM COc1cc(F)cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605223512 1351108679 /nfs/dbraw/zinc/10/86/79/1351108679.db2.gz DBOFJFJRRGGKLU-UHFFFAOYSA-N -1 3 331.267 2.061 20 5 EEBDHM COc1cc(F)cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605223512 1351108680 /nfs/dbraw/zinc/10/86/80/1351108680.db2.gz DBOFJFJRRGGKLU-UHFFFAOYSA-N -1 3 331.267 2.061 20 5 EEBDHM CCO[C@H]1C[C@@](NCc2ccc(F)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001605602942 1351198879 /nfs/dbraw/zinc/19/88/79/1351198879.db2.gz CJSXHKZSDLFECJ-XJKSGUPXSA-N -1 3 340.351 2.482 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H](F)C1 ZINC001606973803 1351389431 /nfs/dbraw/zinc/38/94/31/1351389431.db2.gz LXOWJWFVWKZQMM-ZJUUUORDSA-N -1 3 349.322 2.346 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H](F)C1 ZINC001606973803 1351389434 /nfs/dbraw/zinc/38/94/34/1351389434.db2.gz LXOWJWFVWKZQMM-ZJUUUORDSA-N -1 3 349.322 2.346 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC(F)(C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001607081398 1351409034 /nfs/dbraw/zinc/40/90/34/1351409034.db2.gz KBRBFAQSGOJHOA-UHFFFAOYSA-N -1 3 332.339 2.493 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC(F)(C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC001607081398 1351409037 /nfs/dbraw/zinc/40/90/37/1351409037.db2.gz KBRBFAQSGOJHOA-UHFFFAOYSA-N -1 3 332.339 2.493 20 5 EEBDHM O=[N+]([O-])c1ccn(-c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)n1 ZINC001607085499 1351411784 /nfs/dbraw/zinc/41/17/84/1351411784.db2.gz SIDXQIORCVNXMU-UHFFFAOYSA-N -1 3 342.706 2.162 20 5 EEBDHM O=[N+]([O-])c1ccn(-c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)n1 ZINC001607085499 1351411785 /nfs/dbraw/zinc/41/17/85/1351411785.db2.gz SIDXQIORCVNXMU-UHFFFAOYSA-N -1 3 342.706 2.162 20 5 EEBDHM Cc1cc(N2CCC[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592005805 1403983769 /nfs/dbraw/zinc/98/37/69/1403983769.db2.gz CHGLUYTZFXLMHM-MRXNPFEDSA-N -1 3 344.375 2.090 20 5 EEBDHM Cc1cc(N2CCC[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592005805 1403983776 /nfs/dbraw/zinc/98/37/76/1403983776.db2.gz CHGLUYTZFXLMHM-MRXNPFEDSA-N -1 3 344.375 2.090 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001592244327 1404013058 /nfs/dbraw/zinc/01/30/58/1404013058.db2.gz ZCDKIZCTIDYVQD-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001592244327 1404013064 /nfs/dbraw/zinc/01/30/64/1404013064.db2.gz ZCDKIZCTIDYVQD-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc(CCC(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001101646276 1410713596 /nfs/dbraw/zinc/71/35/96/1410713596.db2.gz ZYTQQHXHJUQKSD-UHFFFAOYSA-N -1 3 348.359 2.100 20 5 EEBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000780868063 760724871 /nfs/dbraw/zinc/72/48/71/760724871.db2.gz QBCKIPMWAJIGIN-SNVBAGLBSA-N -1 3 347.824 2.011 20 5 EEBDHM CCC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001091402143 790647535 /nfs/dbraw/zinc/64/75/35/790647535.db2.gz CSLLSHWCIPYHDK-PHIMTYICSA-N -1 3 334.376 2.192 20 5 EEBDHM CC/C=C(\C)C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091437428 790816800 /nfs/dbraw/zinc/81/68/00/790816800.db2.gz OHSHPNMJISGVRG-PRUFFLOUSA-N -1 3 334.376 2.358 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001105370808 780947715 /nfs/dbraw/zinc/94/77/15/780947715.db2.gz NBCRWCNTYFFZHJ-VURMDHGXSA-N -1 3 336.392 2.192 20 5 EEBDHM CC(C)C(C)(C)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107363066 786998081 /nfs/dbraw/zinc/99/80/81/786998081.db2.gz QUSJOHJGCSVLFG-AATRIKPKSA-N -1 3 336.392 2.462 20 5 EEBDHM CCO[N-]C(=O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000846090206 790046819 /nfs/dbraw/zinc/04/68/19/790046819.db2.gz ZOQNREHTSUNMFD-UHFFFAOYSA-N -1 3 349.343 2.021 20 5 EEBDHM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001064544254 793372858 /nfs/dbraw/zinc/37/28/58/793372858.db2.gz ODOGLMMEDYWYPE-TXEJJXNPSA-N -1 3 346.387 2.065 20 5 EEBDHM CC(C)(CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001094398816 796178187 /nfs/dbraw/zinc/17/81/87/796178187.db2.gz LJJFKIQTQRISFX-UHFFFAOYSA-N -1 3 336.392 2.440 20 5 EEBDHM O=C(CCC(F)(F)F)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110091856 808927885 /nfs/dbraw/zinc/92/78/85/808927885.db2.gz VCPBAFBNUUMILH-UHFFFAOYSA-N -1 3 348.281 2.099 20 5 EEBDHM CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598460672 991953541 /nfs/dbraw/zinc/95/35/41/991953541.db2.gz ZCJQQUBULTVRNB-SECBINFHSA-N -1 3 327.768 2.477 20 5 EEBDHM COc1cc(CNC[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000101590888 219143549 /nfs/dbraw/zinc/14/35/49/219143549.db2.gz IJKALIQVGPYTIV-HNNXBMFYSA-N -1 3 336.319 2.271 20 5 EEBDHM Cc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1 ZINC000072290007 216124046 /nfs/dbraw/zinc/12/40/46/216124046.db2.gz WWJHQGSFDPJAOY-LBPRGKRZSA-N -1 3 342.355 2.330 20 5 EEBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000452072836 243348453 /nfs/dbraw/zinc/34/84/53/243348453.db2.gz UULBZZNQOXJJTE-MWLCHTKSSA-N -1 3 334.419 2.201 20 5 EEBDHM COCCC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000190079556 533209824 /nfs/dbraw/zinc/20/98/24/533209824.db2.gz PDEVMIGKSIMCFD-UHFFFAOYSA-N -1 3 342.417 2.307 20 5 EEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000273673082 256316958 /nfs/dbraw/zinc/31/69/58/256316958.db2.gz ZOWCSBFLGDTJNQ-MRVPVSSYSA-N -1 3 342.402 2.103 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CSC[C@@H]2C)c1C ZINC000352318744 153054903 /nfs/dbraw/zinc/05/49/03/153054903.db2.gz CXONXPAHXBKJFT-GXSJLCMTSA-N -1 3 330.431 2.241 20 5 EEBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000247540805 160328476 /nfs/dbraw/zinc/32/84/76/160328476.db2.gz SCNBMEYZZRHIBB-UHFFFAOYSA-N -1 3 341.370 2.280 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000359764030 164167048 /nfs/dbraw/zinc/16/70/48/164167048.db2.gz DIBKEJKTRPMPAT-UHFFFAOYSA-N -1 3 335.385 2.128 20 5 EEBDHM CC(=O)Nc1ccc(C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362093671 164567582 /nfs/dbraw/zinc/56/75/82/164567582.db2.gz FPBDTPPFJXSHEQ-UHFFFAOYSA-N -1 3 330.300 2.215 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ncccc1F ZINC000156715417 292558844 /nfs/dbraw/zinc/55/88/44/292558844.db2.gz QFQCSHCLOWTJND-UHFFFAOYSA-N -1 3 345.739 2.261 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000294440004 293454191 /nfs/dbraw/zinc/45/41/91/293454191.db2.gz FIIYOTVDCBAYQB-WFASDCNBSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159856180 311347579 /nfs/dbraw/zinc/34/75/79/311347579.db2.gz WECPVROCGXZBDE-VIFPVBQESA-N -1 3 339.373 2.109 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)C(C)C)cc1[N+](=O)[O-] ZINC000416542785 313251896 /nfs/dbraw/zinc/25/18/96/313251896.db2.gz CXVBHBSIXJWNHP-JSGCOSHPSA-N -1 3 346.380 2.455 20 5 EEBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000416561230 313258530 /nfs/dbraw/zinc/25/85/30/313258530.db2.gz SPTZCMLFOZWWFK-YPMHNXCESA-N -1 3 328.390 2.057 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2csnn2)cc1C ZINC000416631104 313279850 /nfs/dbraw/zinc/27/98/50/313279850.db2.gz JIBCTKGNWHTDCW-VIFPVBQESA-N -1 3 342.402 2.103 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416632174 313280145 /nfs/dbraw/zinc/28/01/45/313280145.db2.gz WCQUGPLRTWMLIE-DOMZBBRYSA-N -1 3 344.433 2.285 20 5 EEBDHM Cc1ccc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417671597 313561700 /nfs/dbraw/zinc/56/17/00/313561700.db2.gz YIMYHAWVCLCUIV-LBPRGKRZSA-N -1 3 338.360 2.178 20 5 EEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000548042933 318348130 /nfs/dbraw/zinc/34/81/30/318348130.db2.gz GPEFMPOSVBICKH-SNVBAGLBSA-N -1 3 347.824 2.011 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000190109403 533704946 /nfs/dbraw/zinc/70/49/46/533704946.db2.gz BRFUCQBHZLGORL-GFCCVEGCSA-N -1 3 344.433 2.287 20 5 EEBDHM CCc1cc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)on1 ZINC000581060746 324178034 /nfs/dbraw/zinc/17/80/34/324178034.db2.gz MWDKUDXZIHCYJU-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM 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EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368655 578011117 /nfs/dbraw/zinc/01/11/17/578011117.db2.gz HMXYEWRIJTXVHR-LLVKDONJSA-N -1 3 341.356 2.429 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000738374930 578011529 /nfs/dbraw/zinc/01/15/29/578011529.db2.gz TUSSCCSAEBFILB-UHFFFAOYSA-N -1 3 343.322 2.354 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000738374930 578011530 /nfs/dbraw/zinc/01/15/30/578011530.db2.gz TUSSCCSAEBFILB-UHFFFAOYSA-N -1 3 343.322 2.354 20 5 EEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]OCC(F)(F)F)cc1OC ZINC000766766248 577524502 /nfs/dbraw/zinc/52/45/02/577524502.db2.gz BLCPBZUJLNOPFQ-UHFFFAOYSA-N -1 3 338.238 2.226 20 5 EEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000736160521 578183787 /nfs/dbraw/zinc/18/37/87/578183787.db2.gz RHAPBZYQQYEVCD-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000736160521 578183788 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EEBDHM O=[N+]([O-])c1ccc(SCCOc2ccccc2-c2nnn[n-]2)nc1 ZINC000823644238 607467120 /nfs/dbraw/zinc/46/71/20/607467120.db2.gz HDMNIMMPKPWKFW-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM O=[N+]([O-])c1ccc(SCCOc2ccccc2-c2nn[n-]n2)nc1 ZINC000823644238 607467122 /nfs/dbraw/zinc/46/71/22/607467122.db2.gz HDMNIMMPKPWKFW-UHFFFAOYSA-N -1 3 344.356 2.341 20 5 EEBDHM C[C@]1(C(=O)[O-])CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000833555548 605290743 /nfs/dbraw/zinc/29/07/43/605290743.db2.gz XQSONULNERLBDO-INIZCTEOSA-N -1 3 330.344 2.212 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@]2(CCCOC2)C1 ZINC000823630030 606143080 /nfs/dbraw/zinc/14/30/80/606143080.db2.gz QDOIBFXWEXOEOJ-INIZCTEOSA-N -1 3 344.375 2.172 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@]2(CCCOC2)C1 ZINC000823630030 606143081 /nfs/dbraw/zinc/14/30/81/606143081.db2.gz QDOIBFXWEXOEOJ-INIZCTEOSA-N -1 3 344.375 2.172 20 5 EEBDHM O=Cc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000823557719 607007731 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Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826296113 609283535 /nfs/dbraw/zinc/28/35/35/609283535.db2.gz JPDHEYXTNBLDGL-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826296113 609283536 /nfs/dbraw/zinc/28/35/36/609283536.db2.gz JPDHEYXTNBLDGL-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM O=C([N-]CC1CN(C/C=C\c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000877777258 1200095302 /nfs/dbraw/zinc/09/53/02/1200095302.db2.gz SMTQXXGEHDATME-HYXAFXHYSA-N -1 3 343.305 2.218 20 5 EEBDHM Cc1nc(N(C)CCCNC(=O)c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001095480613 1205803435 /nfs/dbraw/zinc/80/34/35/1205803435.db2.gz QXCZTHLSHHBBKA-UHFFFAOYSA-N -1 3 344.371 2.260 20 5 EEBDHM O=C1[N-]C(=O)C(=CNCCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000132983496 1248768262 /nfs/dbraw/zinc/76/82/62/1248768262.db2.gz FSCWAIVAUNTWPO-LFIBNONCSA-N -1 3 337.335 2.038 20 5 EEBDHM Cc1coc(C(=O)N[C@H]2C[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC001068568339 1251319025 /nfs/dbraw/zinc/31/90/25/1251319025.db2.gz RGGDIWDSIGFWBP-XYPYZODXSA-N -1 3 346.343 2.217 20 5 EEBDHM CC(C)=CC(=O)N1CCC(N(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001068631787 1251432833 /nfs/dbraw/zinc/43/28/33/1251432833.db2.gz XZVCESNOHAVHQY-UHFFFAOYSA-N -1 3 334.376 2.089 20 5 EEBDHM O=C(NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CCCC1 ZINC001069811212 1286159821 /nfs/dbraw/zinc/15/98/21/1286159821.db2.gz XFNRAURFHLCJBV-UHFFFAOYSA-N -1 3 346.387 2.138 20 5 EEBDHM CC(C)N(CCCNC(=O)CC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102071150 1300240822 /nfs/dbraw/zinc/24/08/22/1300240822.db2.gz ACZZMIKBUNRTQR-UHFFFAOYSA-N -1 3 336.392 2.217 20 5 EEBDHM CC(C)N(CCCNC(=O)c1ccoc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102074731 1300246479 /nfs/dbraw/zinc/24/64/79/1300246479.db2.gz SRRZZSPINXIWRU-UHFFFAOYSA-N -1 3 348.359 2.323 20 5 EEBDHM Cc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC001226511614 1301441702 /nfs/dbraw/zinc/44/17/02/1301441702.db2.gz GSPLDNSMKGNKMO-UHFFFAOYSA-N -1 3 330.344 2.447 20 5 EEBDHM O=C(/C=C/C1CC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111777888 1303871286 /nfs/dbraw/zinc/87/12/86/1303871286.db2.gz XCTYCUQMAXPEQW-SNAWJCMRSA-N -1 3 332.360 2.112 20 5 EEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001290408809 1328200008 /nfs/dbraw/zinc/20/00/08/1328200008.db2.gz MZSQRJWFTSTHCB-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001290408809 1328200010 /nfs/dbraw/zinc/20/00/10/1328200010.db2.gz MZSQRJWFTSTHCB-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM C[C@H]1CC2(CN1c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CCOCC2 ZINC001609159143 1351868650 /nfs/dbraw/zinc/86/86/50/1351868650.db2.gz JBHHIYXDEKASSY-NSHDSACASA-N -1 3 344.375 2.170 20 5 EEBDHM C[C@H]1CC2(CN1c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CCOCC2 ZINC001609159143 1351868651 /nfs/dbraw/zinc/86/86/51/1351868651.db2.gz JBHHIYXDEKASSY-NSHDSACASA-N -1 3 344.375 2.170 20 5 EEBDHM Cc1ccc(COC(=O)CCc2c(C)nc[n-]c2=O)cc1[N+](=O)[O-] ZINC001329452401 1334654182 /nfs/dbraw/zinc/65/41/82/1334654182.db2.gz IMCWJMXMJMCCTE-UHFFFAOYSA-N -1 3 331.328 2.383 20 5 EEBDHM COc1cccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001609362274 1351947466 /nfs/dbraw/zinc/94/74/66/1351947466.db2.gz DXLVLLIJUCFNPB-UHFFFAOYSA-N -1 3 330.329 2.330 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC001609388123 1351955396 /nfs/dbraw/zinc/95/53/96/1351955396.db2.gz FICUKBMTHMVFKA-UHFFFAOYSA-N -1 3 339.311 2.475 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC001609388123 1351955397 /nfs/dbraw/zinc/95/53/97/1351955397.db2.gz FICUKBMTHMVFKA-UHFFFAOYSA-N -1 3 339.311 2.475 20 5 EEBDHM Cc1cc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC001609399718 1351961296 /nfs/dbraw/zinc/96/12/96/1351961296.db2.gz MBIQIPMHVMTMTH-LBPRGKRZSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC001609399718 1351961299 /nfs/dbraw/zinc/96/12/99/1351961299.db2.gz MBIQIPMHVMTMTH-LBPRGKRZSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc(NCCCC(=O)OC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409267 1351964731 /nfs/dbraw/zinc/96/47/31/1351964731.db2.gz FCVVBLFFNQCRTA-UHFFFAOYSA-N -1 3 348.363 2.227 20 5 EEBDHM Cc1cc(NCCCC(=O)OC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409267 1351964735 /nfs/dbraw/zinc/96/47/35/1351964735.db2.gz FCVVBLFFNQCRTA-UHFFFAOYSA-N -1 3 348.363 2.227 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCC1CCOCC1 ZINC001609600075 1352029891 /nfs/dbraw/zinc/02/98/91/1352029891.db2.gz OTSFDFCSHRTDCE-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCC1CCOCC1 ZINC001609600075 1352029895 /nfs/dbraw/zinc/02/98/95/1352029895.db2.gz OTSFDFCSHRTDCE-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM C[C@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001590002281 1349101158 /nfs/dbraw/zinc/10/11/58/1349101158.db2.gz AAXGHLGYTHEAGM-JTQLQIEISA-N -1 3 340.343 2.440 20 5 EEBDHM C[C@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001590002281 1349101163 /nfs/dbraw/zinc/10/11/63/1349101163.db2.gz AAXGHLGYTHEAGM-JTQLQIEISA-N -1 3 340.343 2.440 20 5 EEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC001591155345 1349442350 /nfs/dbraw/zinc/44/23/50/1349442350.db2.gz LFEPGKFVOSOYMA-UHFFFAOYSA-N -1 3 336.355 2.379 20 5 EEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC001591155345 1349442356 /nfs/dbraw/zinc/44/23/56/1349442356.db2.gz LFEPGKFVOSOYMA-UHFFFAOYSA-N -1 3 336.355 2.379 20 5 EEBDHM Cc1cc(NCC2(O)CCC(C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042319 1349587223 /nfs/dbraw/zinc/58/72/23/1349587223.db2.gz BSIDYNGMEMKRQX-UHFFFAOYSA-N -1 3 346.391 2.436 20 5 EEBDHM Cc1cc(NCC2(O)CCC(C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042319 1349587226 /nfs/dbraw/zinc/58/72/26/1349587226.db2.gz BSIDYNGMEMKRQX-UHFFFAOYSA-N -1 3 346.391 2.436 20 5 EEBDHM Cc1nc(NCCNc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001592391986 1349626854 /nfs/dbraw/zinc/62/68/54/1349626854.db2.gz ZDMBQYILNTZMBJ-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1nc(NCCNc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001592391986 1349626857 /nfs/dbraw/zinc/62/68/57/1349626857.db2.gz ZDMBQYILNTZMBJ-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC001592757828 1349713937 /nfs/dbraw/zinc/71/39/37/1349713937.db2.gz OVXXCSAJBLAZSY-CMPLNLGQSA-N -1 3 337.343 2.325 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001592757828 1349713941 /nfs/dbraw/zinc/71/39/41/1349713941.db2.gz OVXXCSAJBLAZSY-CMPLNLGQSA-N -1 3 337.343 2.325 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCCc2cccnc21 ZINC001593472337 1349806867 /nfs/dbraw/zinc/80/68/67/1349806867.db2.gz ZGXWPZVYPDFIQL-LLVKDONJSA-N -1 3 338.331 2.054 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCCc2cccnc21 ZINC001593472337 1349806869 /nfs/dbraw/zinc/80/68/69/1349806869.db2.gz ZGXWPZVYPDFIQL-LLVKDONJSA-N -1 3 338.331 2.054 20 5 EEBDHM O=[N+]([O-])c1ccc(CN2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC001593475912 1349809242 /nfs/dbraw/zinc/80/92/42/1349809242.db2.gz SQUXMJRCENYEME-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(CN2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1 ZINC001593475912 1349809243 /nfs/dbraw/zinc/80/92/43/1349809243.db2.gz SQUXMJRCENYEME-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(-c2nnn[n-]2)cn1 ZINC001593476756 1349810921 /nfs/dbraw/zinc/81/09/21/1349810921.db2.gz YEGVUVVHFZPZAP-UHFFFAOYSA-N -1 3 345.750 2.113 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(-c2nn[n-]n2)cn1 ZINC001593476756 1349810922 /nfs/dbraw/zinc/81/09/22/1349810922.db2.gz YEGVUVVHFZPZAP-UHFFFAOYSA-N -1 3 345.750 2.113 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccn3ccnc3c2)cc1-c1nnn[n-]1 ZINC001593478869 1349812145 /nfs/dbraw/zinc/81/21/45/1349812145.db2.gz OANJLZDXAZOTEB-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCOC(F)F ZINC001593481054 1349812720 /nfs/dbraw/zinc/81/27/20/1349812720.db2.gz GMFBOWMEJOIRHK-UHFFFAOYSA-N -1 3 331.304 2.247 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCOC(F)F ZINC001593481054 1349812723 /nfs/dbraw/zinc/81/27/23/1349812723.db2.gz GMFBOWMEJOIRHK-UHFFFAOYSA-N -1 3 331.304 2.247 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CCC3(CCC3)O2)c(-c2nnn[n-]2)c1 ZINC001593485029 1349815055 /nfs/dbraw/zinc/81/50/55/1349815055.db2.gz OCIINZRTASGJBO-NSHDSACASA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CCC3(CCC3)O2)c(-c2nn[n-]n2)c1 ZINC001593485029 1349815059 /nfs/dbraw/zinc/81/50/59/1349815059.db2.gz OCIINZRTASGJBO-NSHDSACASA-N -1 3 345.363 2.074 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603231387 1350666591 /nfs/dbraw/zinc/66/65/91/1350666591.db2.gz TXGUECKZFDWAND-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603231387 1350666596 /nfs/dbraw/zinc/66/65/96/1350666596.db2.gz TXGUECKZFDWAND-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603231405 1350667510 /nfs/dbraw/zinc/66/75/10/1350667510.db2.gz UHGZUSLFUNWGRD-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM CO[C@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001605005838 1351050543 /nfs/dbraw/zinc/05/05/43/1351050543.db2.gz RLMCDOGCISVVGV-DTWKUNHWSA-N -1 3 343.347 2.158 20 5 EEBDHM CO[C@H](C)[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001605005838 1351050547 /nfs/dbraw/zinc/05/05/47/1351050547.db2.gz RLMCDOGCISVVGV-DTWKUNHWSA-N -1 3 343.347 2.158 20 5 EEBDHM CO[C@H]1C[C@@H](CSCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605154379 1351090297 /nfs/dbraw/zinc/09/02/97/1351090297.db2.gz WSKMDIBBUJIZCP-WVSHTKLVSA-N -1 3 335.389 2.433 20 5 EEBDHM CO[C@H]1C[C@@H](CSCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605154379 1351090300 /nfs/dbraw/zinc/09/03/00/1351090300.db2.gz WSKMDIBBUJIZCP-WVSHTKLVSA-N -1 3 335.389 2.433 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC001605529458 1351180780 /nfs/dbraw/zinc/18/07/80/1351180780.db2.gz GDXXKVUJUFGDJN-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC001605529458 1351180782 /nfs/dbraw/zinc/18/07/82/1351180782.db2.gz GDXXKVUJUFGDJN-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC001607082530 1351410163 /nfs/dbraw/zinc/41/01/63/1351410163.db2.gz OVRZRJQHQLIELT-UHFFFAOYSA-N -1 3 340.299 2.116 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC001607082530 1351410167 /nfs/dbraw/zinc/41/01/67/1351410167.db2.gz OVRZRJQHQLIELT-UHFFFAOYSA-N -1 3 340.299 2.116 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCc2cccnc21 ZINC001607082434 1351410350 /nfs/dbraw/zinc/41/03/50/1351410350.db2.gz PNEVMYXMDYAKMT-LBPRGKRZSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCc2cccnc21 ZINC001607082434 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CN(C(=O)COC(=O)c1ccc(F)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000750144499 577987840 /nfs/dbraw/zinc/98/78/40/577987840.db2.gz CWANVVGFFXHAAF-UHFFFAOYSA-N -1 3 348.286 2.259 20 5 EEBDHM CCn1nc(C)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000736729573 578220586 /nfs/dbraw/zinc/22/05/86/578220586.db2.gz WDZHFLDOLMXAPU-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM CCn1nc(C)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000736729573 578220587 /nfs/dbraw/zinc/22/05/87/578220587.db2.gz WDZHFLDOLMXAPU-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737248731 578245967 /nfs/dbraw/zinc/24/59/67/578245967.db2.gz MLUUPHFFXXFCKQ-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737248731 578245968 /nfs/dbraw/zinc/24/59/68/578245968.db2.gz MLUUPHFFXXFCKQ-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000823648604 599459061 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EEBDHM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(C)C ZINC000821640380 599587252 /nfs/dbraw/zinc/58/72/52/599587252.db2.gz HMULPKCIPYCCJI-NSHDSACASA-N -1 3 348.363 2.022 20 5 EEBDHM CCCCC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC ZINC000821050637 606429774 /nfs/dbraw/zinc/42/97/74/606429774.db2.gz SROIPNIITMLBHG-GFCCVEGCSA-N -1 3 348.363 2.309 20 5 EEBDHM CCCCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC ZINC000821050637 606429776 /nfs/dbraw/zinc/42/97/76/606429776.db2.gz SROIPNIITMLBHG-GFCCVEGCSA-N -1 3 348.363 2.309 20 5 EEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000823103609 606495943 /nfs/dbraw/zinc/49/59/43/606495943.db2.gz JLFRGBSOMIVXQA-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000823103609 606495945 /nfs/dbraw/zinc/49/59/45/606495945.db2.gz JLFRGBSOMIVXQA-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC=C(C(F)(F)F)CC1 ZINC000826497346 607935940 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1349972211 /nfs/dbraw/zinc/97/22/11/1349972211.db2.gz JDTNWGYIMXYSGL-OLZOCXBDSA-N -1 3 334.376 2.425 20 5 EEBDHM O=C([O-])CN(CCOc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC001602056098 1350429288 /nfs/dbraw/zinc/42/92/88/1350429288.db2.gz GCIDLNSNROOGNY-UHFFFAOYSA-N -1 3 336.266 2.313 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001604064373 1350844443 /nfs/dbraw/zinc/84/44/43/1350844443.db2.gz RMZOWQBGKYHELL-ZWNOBZJWSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001604064373 1350844446 /nfs/dbraw/zinc/84/44/46/1350844446.db2.gz RMZOWQBGKYHELL-ZWNOBZJWSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001604111469 1350861863 /nfs/dbraw/zinc/86/18/63/1350861863.db2.gz FNJVSYSLBREMTF-WDEREUQCSA-N -1 3 332.364 2.087 20 5 EEBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001604111469 1350861869 /nfs/dbraw/zinc/86/18/69/1350861869.db2.gz 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826497409 607821120 /nfs/dbraw/zinc/82/11/20/607821120.db2.gz GGTDOOKQTXVBPD-LERXQTSPSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826497409 607821121 /nfs/dbraw/zinc/82/11/21/607821121.db2.gz GGTDOOKQTXVBPD-LERXQTSPSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(F)cc1 ZINC000826497712 607873583 /nfs/dbraw/zinc/87/35/83/607873583.db2.gz RAXJDXDALRHOOR-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(F)cc1 ZINC000826497712 607873584 /nfs/dbraw/zinc/87/35/84/607873584.db2.gz RAXJDXDALRHOOR-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM CC(C)(C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824078645 608149404 /nfs/dbraw/zinc/14/94/04/608149404.db2.gz JMGFLWLQSLOCMQ-BXKDBHETSA-N -1 3 347.379 2.176 20 5 EEBDHM 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EEBDHM O=C(NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1=CCCC1 ZINC001046761920 1235160246 /nfs/dbraw/zinc/16/02/46/1235160246.db2.gz AJOISKCYJFUDJL-UMSPYCQHSA-N -1 3 332.360 2.112 20 5 EEBDHM CC1(C)CC(CC(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC001055988517 1238562066 /nfs/dbraw/zinc/56/20/66/1238562066.db2.gz GRBIWEZTZKVRMQ-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM O=C(NC1CC2(C1)CC(Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2)C1CCC1 ZINC001056503562 1239416038 /nfs/dbraw/zinc/41/60/38/1239416038.db2.gz FZJVAOOQHDHWAF-UHFFFAOYSA-N -1 3 346.387 2.335 20 5 EEBDHM C/C(=C/C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001096996483 1243557039 /nfs/dbraw/zinc/55/70/39/1243557039.db2.gz WYNHSZBSLNHLDV-CPAKDNDRSA-N -1 3 332.360 2.111 20 5 EEBDHM O=C(CCCC1CC1)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097090891 1243689938 /nfs/dbraw/zinc/68/99/38/1243689938.db2.gz DDERBFHSNUYFBV-HAQNSBGRSA-N -1 3 334.376 2.335 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCc1ccccc1 ZINC001101589949 1245995929 /nfs/dbraw/zinc/99/59/29/1245995929.db2.gz PGKIBYAEYUGEJA-UHFFFAOYSA-N -1 3 344.371 2.199 20 5 EEBDHM CCc1ccccc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101931751 1246255486 /nfs/dbraw/zinc/25/54/86/1246255486.db2.gz LXNLEMMOXXUDLG-UHFFFAOYSA-N -1 3 344.371 2.442 20 5 EEBDHM CC(C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCC1 ZINC001112085108 1276843265 /nfs/dbraw/zinc/84/32/65/1276843265.db2.gz CESDVBMHLQJFLE-UHFFFAOYSA-N -1 3 348.403 2.481 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000725339893 1277815300 /nfs/dbraw/zinc/81/53/00/1277815300.db2.gz SIYMZSFXQLKHGX-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000725339893 1277815314 /nfs/dbraw/zinc/81/53/14/1277815314.db2.gz SIYMZSFXQLKHGX-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM Cc1ccc(N(C)CCNC(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001099980762 1299562374 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348.277 2.337 20 5 EEBDHM CC(C)(C)n1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001609082686 1351834385 /nfs/dbraw/zinc/83/43/85/1351834385.db2.gz XFPLOHXHJSQOOW-UHFFFAOYSA-N -1 3 328.336 2.470 20 5 EEBDHM CC(C)(C)n1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC001609082686 1351834389 /nfs/dbraw/zinc/83/43/89/1351834389.db2.gz XFPLOHXHJSQOOW-UHFFFAOYSA-N -1 3 328.336 2.470 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC001339308571 1336987093 /nfs/dbraw/zinc/98/70/93/1336987093.db2.gz PTCXVTIMTAGOQI-UHFFFAOYSA-N -1 3 335.291 2.214 20 5 EEBDHM CCN(CCNC(=O)C1(C(C)C)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100713242 1338673708 /nfs/dbraw/zinc/67/37/08/1338673708.db2.gz IZNIGYOTOQAMEZ-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM CC(C)(C)CN(CCCO)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589128898 1348963239 /nfs/dbraw/zinc/96/32/39/1348963239.db2.gz LKIRIQDWLQLYFZ-UHFFFAOYSA-N -1 3 334.380 2.010 20 5 EEBDHM CCc1nnc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001590933515 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ZINC001593482444 1349814173 /nfs/dbraw/zinc/81/41/73/1349814173.db2.gz UBFOAXYHFAYTTQ-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC001603230894 1350666489 /nfs/dbraw/zinc/66/64/89/1350666489.db2.gz DGBCUWLRHXZZHT-AWEZNQCLSA-N -1 3 342.363 2.318 20 5 EEBDHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC001603230894 1350666493 /nfs/dbraw/zinc/66/64/93/1350666493.db2.gz DGBCUWLRHXZZHT-AWEZNQCLSA-N -1 3 342.363 2.318 20 5 EEBDHM C[C@@](CC(=O)[O-])(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001604087495 1350852429 /nfs/dbraw/zinc/85/24/29/1350852429.db2.gz GPGPNGWWBGVFIU-PBHICJAKSA-N -1 3 345.355 2.003 20 5 EEBDHM CCc1nc(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])no1 ZINC001604557833 1350960487 /nfs/dbraw/zinc/96/04/87/1350960487.db2.gz UNICIKBKYHFIRW-UHFFFAOYSA-N -1 3 347.360 2.154 20 5 EEBDHM CCc1nc(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])no1 ZINC001604557833 1350960489 /nfs/dbraw/zinc/96/04/89/1350960489.db2.gz UNICIKBKYHFIRW-UHFFFAOYSA-N -1 3 347.360 2.154 20 5 EEBDHM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1F ZINC001604618021 1350971311 /nfs/dbraw/zinc/97/13/11/1350971311.db2.gz VUATZOXIQBMAQI-UHFFFAOYSA-N -1 3 333.283 2.231 20 5 EEBDHM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1F ZINC001604618021 1350971313 /nfs/dbraw/zinc/97/13/13/1350971313.db2.gz VUATZOXIQBMAQI-UHFFFAOYSA-N -1 3 333.283 2.231 20 5 EEBDHM CN(Cc1c(F)cccc1F)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604795545 1351006652 /nfs/dbraw/zinc/00/66/52/1351006652.db2.gz UEGAIWKEOWWRSI-UHFFFAOYSA-N -1 3 347.285 2.085 20 5 EEBDHM CN(Cc1c(F)cccc1F)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604795545 1351006655 /nfs/dbraw/zinc/00/66/55/1351006655.db2.gz UEGAIWKEOWWRSI-UHFFFAOYSA-N -1 3 347.285 2.085 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CC23CCCCC3)c1-c1nnn[n-]1 ZINC001606452049 1351305163 /nfs/dbraw/zinc/30/51/63/1351305163.db2.gz YJLGGMFRSYNDRW-LLVKDONJSA-N -1 3 329.364 2.492 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CC23CCCCC3)c1-c1nn[n-]n1 ZINC001606452049 1351305166 /nfs/dbraw/zinc/30/51/66/1351305166.db2.gz YJLGGMFRSYNDRW-LLVKDONJSA-N -1 3 329.364 2.492 20 5 EEBDHM NC(=O)C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC001608232014 1351653519 /nfs/dbraw/zinc/65/35/19/1351653519.db2.gz XQKQNEZXZGPENE-AWEZNQCLSA-N -1 3 349.387 2.207 20 5 EEBDHM O=C(Oc1ccc2oc(=O)oc2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000799696282 1371674741 /nfs/dbraw/zinc/67/47/41/1371674741.db2.gz ZUOBTMKFBBDZEH-UHFFFAOYSA-N -1 3 341.235 2.390 20 5 EEBDHM Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592056627 1403991131 /nfs/dbraw/zinc/99/11/31/1403991131.db2.gz RHPFDJMQRXKCNV-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592056627 1403991134 /nfs/dbraw/zinc/99/11/34/1403991134.db2.gz RHPFDJMQRXKCNV-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1scc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC001606183168 1404774242 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EEBDHM C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824722054 788287516 /nfs/dbraw/zinc/28/75/16/788287516.db2.gz FVFOAXIMAZYMAY-MRVPVSSYSA-N -1 3 328.288 2.021 20 5 EEBDHM C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824722054 788287521 /nfs/dbraw/zinc/28/75/21/788287521.db2.gz FVFOAXIMAZYMAY-MRVPVSSYSA-N -1 3 328.288 2.021 20 5 EEBDHM CN(CCC1CCN(C(=O)C2CC2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001063961504 792013197 /nfs/dbraw/zinc/01/31/97/792013197.db2.gz DLBXTLGFXJPXAD-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1coc2ccccc12 ZINC001093700551 795611016 /nfs/dbraw/zinc/61/10/16/795611016.db2.gz YEEBXHQOOPMPMO-UHFFFAOYSA-N -1 3 342.311 2.284 20 5 EEBDHM CCCc1occc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094507072 796332373 /nfs/dbraw/zinc/33/23/73/796332373.db2.gz XWVPMPAPAGSWRI-UHFFFAOYSA-N -1 3 348.359 2.473 20 5 EEBDHM CC/C=C(\C)C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095216901 797530245 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RLEIWMACTCJHPA-LLVKDONJSA-N -1 3 330.304 2.168 20 5 EEBDHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccco1 ZINC000821684075 606104273 /nfs/dbraw/zinc/10/42/73/606104273.db2.gz RLEIWMACTCJHPA-LLVKDONJSA-N -1 3 330.304 2.168 20 5 EEBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000820500747 606228638 /nfs/dbraw/zinc/22/86/38/606228638.db2.gz GDXQGLNYSWINDK-MRVPVSSYSA-N -1 3 328.288 2.021 20 5 EEBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000820500747 606228640 /nfs/dbraw/zinc/22/86/40/606228640.db2.gz GDXQGLNYSWINDK-MRVPVSSYSA-N -1 3 328.288 2.021 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823640200 606421420 /nfs/dbraw/zinc/42/14/20/606421420.db2.gz WYKVVLYMCQXIIH-AWEZNQCLSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000823640200 606421421 /nfs/dbraw/zinc/42/14/21/606421421.db2.gz WYKVVLYMCQXIIH-AWEZNQCLSA-N -1 3 332.364 2.128 20 5 EEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823104241 606496002 /nfs/dbraw/zinc/49/60/02/606496002.db2.gz VFDJJUNYVHAIGE-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823104241 606496005 /nfs/dbraw/zinc/49/60/05/606496005.db2.gz VFDJJUNYVHAIGE-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H](O)c2ccccc2F)ccc1-c1nnn[n-]1 ZINC000823634487 606645086 /nfs/dbraw/zinc/64/50/86/606645086.db2.gz HRRYOBDLCRGTTD-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823454080 606663172 /nfs/dbraw/zinc/66/31/72/606663172.db2.gz LHFNCACAVKPFGR-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823454080 606663173 /nfs/dbraw/zinc/66/31/73/606663173.db2.gz LHFNCACAVKPFGR-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM Cc1cccc(C)c1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822293765 607040195 /nfs/dbraw/zinc/04/01/95/607040195.db2.gz KSCBUDVGPOEGOJ-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1cccc(C)c1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822293765 607040196 /nfs/dbraw/zinc/04/01/96/607040196.db2.gz KSCBUDVGPOEGOJ-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1ccc(-c2nnn[n-]2)nc1NCCNc1ccccc1[N+](=O)[O-] ZINC000826280565 608542953 /nfs/dbraw/zinc/54/29/53/608542953.db2.gz HDMAOTLNGVEDJY-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccc(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001107050325 1193023509 /nfs/dbraw/zinc/02/35/09/1193023509.db2.gz FYNDVFVRGJATEG-NSCUHMNNSA-N -1 3 348.384 2.463 20 5 EEBDHM CN(C)c1ccccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844297 1204430379 /nfs/dbraw/zinc/43/03/79/1204430379.db2.gz NDEUXJXSZKCCOO-UHFFFAOYSA-N -1 3 327.300 2.478 20 5 EEBDHM CN(CCCNC(=O)C1(C2CC2)CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095688439 1205914850 /nfs/dbraw/zinc/91/48/50/1205914850.db2.gz YECIURXZVMJHCL-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM COC(=O)[C@](C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778006418 1207407632 /nfs/dbraw/zinc/40/76/32/1207407632.db2.gz UOUIABVDWKRVLF-CQSZACIVSA-N -1 3 342.298 2.145 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cs1 ZINC000832186774 1212448011 /nfs/dbraw/zinc/44/80/11/1212448011.db2.gz GGZNRZSZNAGHSU-ZETCQYMHSA-N -1 3 326.346 2.370 20 5 EEBDHM CCCN(CCNC(=O)CC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101091981 1245391229 /nfs/dbraw/zinc/39/12/29/1245391229.db2.gz NZEXEWUNAPLXGM-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM Cc1ccc(C)c(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001101591716 1245999803 /nfs/dbraw/zinc/99/98/03/1245999803.db2.gz QNOTYMQAGYUJLL-UHFFFAOYSA-N -1 3 344.371 2.496 20 5 EEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Br)nc2CO)c1 ZINC001199828748 1285844143 /nfs/dbraw/zinc/84/41/43/1285844143.db2.gz RFKARHATBWGQON-UHFFFAOYSA-N -1 3 341.121 2.089 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1[O-] ZINC001216702015 1297259217 /nfs/dbraw/zinc/25/92/17/1297259217.db2.gz GZYJAHOAOMTGKS-UHFFFAOYSA-N -1 3 339.311 2.058 20 5 EEBDHM COc1cc(OC2COC2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227643136 1301920947 /nfs/dbraw/zinc/92/09/47/1301920947.db2.gz AJZVEVWEGVXAIN-UHFFFAOYSA-N -1 3 330.292 2.144 20 5 EEBDHM O=c1nc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c([n-]1)CCS2 ZINC001230789849 1303458955 /nfs/dbraw/zinc/45/89/55/1303458955.db2.gz DVIHDHOFEWAATM-LLVKDONJSA-N -1 3 331.353 2.285 20 5 EEBDHM CC(C)[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001609091956 1351838736 /nfs/dbraw/zinc/83/87/36/1351838736.db2.gz VIFBXMWCVYLICI-LBPRGKRZSA-N -1 3 334.405 2.353 20 5 EEBDHM CC(C)[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001609091956 1351838743 /nfs/dbraw/zinc/83/87/43/1351838743.db2.gz VIFBXMWCVYLICI-LBPRGKRZSA-N -1 3 334.405 2.353 20 5 EEBDHM CCc1cnc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001609253808 1351911100 /nfs/dbraw/zinc/91/11/00/1351911100.db2.gz PUMHENCULMMFBO-UHFFFAOYSA-N -1 3 331.361 2.406 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609258726 1351913153 /nfs/dbraw/zinc/91/31/53/1351913153.db2.gz RDRAJCLQJLDNTQ-JTQLQIEISA-N -1 3 342.363 2.473 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609258726 1351913154 /nfs/dbraw/zinc/91/31/54/1351913154.db2.gz RDRAJCLQJLDNTQ-JTQLQIEISA-N -1 3 342.363 2.473 20 5 EEBDHM CCn1nc(C)c(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC001609259911 1351914302 /nfs/dbraw/zinc/91/43/02/1351914302.db2.gz XUEYTAYRGCINOF-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM CCn1nc(C)c(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC001609259911 1351914304 /nfs/dbraw/zinc/91/43/04/1351914304.db2.gz XUEYTAYRGCINOF-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC001609602237 1352031742 /nfs/dbraw/zinc/03/17/42/1352031742.db2.gz GEFOQJUSVHSDLV-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC001609602237 1352031747 /nfs/dbraw/zinc/03/17/47/1352031747.db2.gz GEFOQJUSVHSDLV-UHFFFAOYSA-N -1 3 335.283 2.492 20 5 EEBDHM CN(CCNC(=O)C(F)=C1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100007137 1337930532 /nfs/dbraw/zinc/93/05/32/1337930532.db2.gz VEVOGSCBQTWHAV-UHFFFAOYSA-N -1 3 338.339 2.045 20 5 EEBDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001581133640 1344590236 /nfs/dbraw/zinc/59/02/36/1344590236.db2.gz GGKLHVPINHYQPO-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001581133640 1344590237 /nfs/dbraw/zinc/59/02/37/1344590237.db2.gz GGKLHVPINHYQPO-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591615077 1349514948 /nfs/dbraw/zinc/51/49/48/1349514948.db2.gz UECKIYCCNRYAAM-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591615077 1349514950 /nfs/dbraw/zinc/51/49/50/1349514950.db2.gz UECKIYCCNRYAAM-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccccc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591653407 1349526176 /nfs/dbraw/zinc/52/61/76/1349526176.db2.gz NQEFZONXSSGKOT-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1ccccc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591653407 1349526185 /nfs/dbraw/zinc/52/61/85/1349526185.db2.gz NQEFZONXSSGKOT-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001593291466 1349768634 /nfs/dbraw/zinc/76/86/34/1349768634.db2.gz RMXIXSYEHVZFCT-UHFFFAOYSA-N -1 3 349.322 2.491 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001593291466 1349768637 /nfs/dbraw/zinc/76/86/37/1349768637.db2.gz RMXIXSYEHVZFCT-UHFFFAOYSA-N -1 3 349.322 2.491 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2cc(O)ccc2C1 ZINC001593468588 1349805345 /nfs/dbraw/zinc/80/53/45/1349805345.db2.gz PFRWWZCESARZNP-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2cc(O)ccc2C1 ZINC001593468588 1349805349 /nfs/dbraw/zinc/80/53/49/1349805349.db2.gz PFRWWZCESARZNP-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1Cc2cccc(O)c2C1 ZINC001593470768 1349805669 /nfs/dbraw/zinc/80/56/69/1349805669.db2.gz LASNWKGPMBVPBH-LLVKDONJSA-N -1 3 338.327 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1Cc2cccc(O)c2C1 ZINC001593470768 1349805674 /nfs/dbraw/zinc/80/56/74/1349805674.db2.gz LASNWKGPMBVPBH-LLVKDONJSA-N -1 3 338.327 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC001593478953 1349811360 /nfs/dbraw/zinc/81/13/60/1349811360.db2.gz SAOIAMHKDRFKQZ-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC001593478953 1349811362 /nfs/dbraw/zinc/81/13/62/1349811362.db2.gz SAOIAMHKDRFKQZ-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCc2cccnc21 ZINC001593481201 1349812571 /nfs/dbraw/zinc/81/25/71/1349812571.db2.gz PLVYLYOBISAWDP-NSHDSACASA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCc2cccnc21 ZINC001593481201 1349812574 /nfs/dbraw/zinc/81/25/74/1349812574.db2.gz PLVYLYOBISAWDP-NSHDSACASA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN(CC(F)(F)F)C1CC1 ZINC001593479980 1349812670 /nfs/dbraw/zinc/81/26/70/1349812670.db2.gz BZGWOECONXJHTB-UHFFFAOYSA-N -1 3 342.281 2.302 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN(CC(F)(F)F)C1CC1 ZINC001593479980 1349812673 /nfs/dbraw/zinc/81/26/73/1349812673.db2.gz BZGWOECONXJHTB-UHFFFAOYSA-N -1 3 342.281 2.302 20 5 EEBDHM O=C([O-])C[C@@H]1CCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001601954151 1350405126 /nfs/dbraw/zinc/40/51/26/1350405126.db2.gz ZLCAVQFUXLKMRK-AWEZNQCLSA-N -1 3 330.344 2.355 20 5 EEBDHM CC1(C)C[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603762674 1350760259 /nfs/dbraw/zinc/76/02/59/1350760259.db2.gz MDKSQYHOLUUHHY-JTQLQIEISA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)C[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603762674 1350760260 /nfs/dbraw/zinc/76/02/60/1350760260.db2.gz MDKSQYHOLUUHHY-JTQLQIEISA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603863781 1350785902 /nfs/dbraw/zinc/78/59/02/1350785902.db2.gz BNVIIOBFEWHWFX-ZJNJWXDTSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603863781 1350785904 /nfs/dbraw/zinc/78/59/04/1350785904.db2.gz BNVIIOBFEWHWFX-ZJNJWXDTSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@@H]1CCC[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001603886462 1350793192 /nfs/dbraw/zinc/79/31/92/1350793192.db2.gz LOGZNTGNDRLDRB-BDAKNGLRSA-N -1 3 336.327 2.284 20 5 EEBDHM C[C@@H]1CCC[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001603886462 1350793195 /nfs/dbraw/zinc/79/31/95/1350793195.db2.gz LOGZNTGNDRLDRB-BDAKNGLRSA-N -1 3 336.327 2.284 20 5 EEBDHM CC[C@H](COCC1CC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604040199 1350836127 /nfs/dbraw/zinc/83/61/27/1350836127.db2.gz XTOGPDBAKHYWDC-LLVKDONJSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@H](COCC1CC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604040199 1350836131 /nfs/dbraw/zinc/83/61/31/1350836131.db2.gz XTOGPDBAKHYWDC-LLVKDONJSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@](CC(=O)[O-])(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001604087497 1350852214 /nfs/dbraw/zinc/85/22/14/1350852214.db2.gz GPGPNGWWBGVFIU-WMLDXEAASA-N -1 3 345.355 2.003 20 5 EEBDHM CC[C@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC001604111690 1350861801 /nfs/dbraw/zinc/86/18/01/1350861801.db2.gz HNXSJQNJFYITKN-QMMMGPOBSA-N -1 3 338.368 2.246 20 5 EEBDHM CC[C@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC001604111690 1350861808 /nfs/dbraw/zinc/86/18/08/1350861808.db2.gz HNXSJQNJFYITKN-QMMMGPOBSA-N -1 3 338.368 2.246 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc(-c2nnn[n-]2)c1 ZINC001604596227 1350966908 /nfs/dbraw/zinc/96/69/08/1350966908.db2.gz UBPGVANJMDKIOY-UHFFFAOYSA-N -1 3 331.361 2.451 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc(-c2nn[n-]n2)c1 ZINC001604596227 1350966909 /nfs/dbraw/zinc/96/69/09/1350966909.db2.gz UBPGVANJMDKIOY-UHFFFAOYSA-N -1 3 331.361 2.451 20 5 EEBDHM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605732071 1351219978 /nfs/dbraw/zinc/21/99/78/1351219978.db2.gz NMCZTGLVYYKUKH-GHMZBOCLSA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605732071 1351219980 /nfs/dbraw/zinc/21/99/80/1351219980.db2.gz NMCZTGLVYYKUKH-GHMZBOCLSA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001605883689 1351245822 /nfs/dbraw/zinc/24/58/22/1351245822.db2.gz FBOMWRVWMHOFGB-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001605883689 1351245825 /nfs/dbraw/zinc/24/58/25/1351245825.db2.gz FBOMWRVWMHOFGB-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCc2cccnc21 ZINC001607082433 1351410415 /nfs/dbraw/zinc/41/04/15/1351410415.db2.gz PNEVMYXMDYAKMT-GFCCVEGCSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCc2cccnc21 ZINC001607082433 1351410416 /nfs/dbraw/zinc/41/04/16/1351410416.db2.gz PNEVMYXMDYAKMT-GFCCVEGCSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001607082731 1351411112 /nfs/dbraw/zinc/41/11/12/1351411112.db2.gz UJDLMBBXJJDXLS-LSDHHAIUSA-N -1 3 344.375 2.313 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001607082731 1351411114 /nfs/dbraw/zinc/41/11/14/1351411114.db2.gz UJDLMBBXJJDXLS-LSDHHAIUSA-N -1 3 344.375 2.313 20 5 EEBDHM Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607538791 1351512207 /nfs/dbraw/zinc/51/22/07/1351512207.db2.gz TYTGGLVNXSCYIT-KGYLQXTDSA-N -1 3 349.387 2.273 20 5 EEBDHM 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342.417 2.307 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000452086719 467317187 /nfs/dbraw/zinc/31/71/87/467317187.db2.gz LTWHVQUWXNRLBN-UHFFFAOYSA-N -1 3 347.462 2.117 20 5 EEBDHM COC(=O)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420634671 467438860 /nfs/dbraw/zinc/43/88/60/467438860.db2.gz LGVABAXZERZUFZ-LLVKDONJSA-N -1 3 349.318 2.278 20 5 EEBDHM COC(=O)[C@H](CNc1ncccc1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420634672 467439055 /nfs/dbraw/zinc/43/90/55/467439055.db2.gz LGVABAXZERZUFZ-NSHDSACASA-N -1 3 349.318 2.278 20 5 EEBDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000398491787 467448833 /nfs/dbraw/zinc/44/88/33/467448833.db2.gz IGPJAABNRMCZNU-GFCCVEGCSA-N -1 3 330.406 2.041 20 5 EEBDHM COC(=O)c1ccc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000471794706 467975767 /nfs/dbraw/zinc/97/57/67/467975767.db2.gz URODWAMMIJWILI-UHFFFAOYSA-N -1 3 331.284 2.043 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600672417 468616722 /nfs/dbraw/zinc/61/67/22/468616722.db2.gz JQIKZBZFTWSWBJ-CYBMUJFWSA-N -1 3 335.404 2.445 20 5 EEBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000598734818 468979249 /nfs/dbraw/zinc/97/92/49/468979249.db2.gz IQROHUALWOEUDB-LLVKDONJSA-N -1 3 336.373 2.041 20 5 EEBDHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000610576900 469008475 /nfs/dbraw/zinc/00/84/75/469008475.db2.gz DLSADEHBBDXTPP-CYBMUJFWSA-N -1 3 341.433 2.056 20 5 EEBDHM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593753212 469124124 /nfs/dbraw/zinc/12/41/24/469124124.db2.gz XMPYPPIVMTWFER-HOTGVXAUSA-N -1 3 334.372 2.297 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)C2CCCC2)c1C ZINC000599472801 469268235 /nfs/dbraw/zinc/26/82/35/469268235.db2.gz QTJGDCFMYYWFHN-UHFFFAOYSA-N -1 3 340.401 2.249 20 5 EEBDHM Cc1cccc([O-])c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599845318 469389864 /nfs/dbraw/zinc/38/98/64/469389864.db2.gz ZHWVCLMETYXSHA-UHFFFAOYSA-N -1 3 330.344 2.283 20 5 EEBDHM COC(=O)c1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000618390227 469981968 /nfs/dbraw/zinc/98/19/68/469981968.db2.gz MRTQVCKQCHRSDP-UHFFFAOYSA-N -1 3 337.313 2.104 20 5 EEBDHM COc1cc(CNC[C@@](C)(O)c2cccs2)c([N+](=O)[O-])cc1[O-] ZINC000152997225 533881650 /nfs/dbraw/zinc/88/16/50/533881650.db2.gz BXXYQCVHEASHDT-OAHLLOKOSA-N -1 3 338.385 2.368 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000738366633 578010883 /nfs/dbraw/zinc/01/08/83/578010883.db2.gz GKVVDSHNWHCFKB-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000738366633 578010884 /nfs/dbraw/zinc/01/08/84/578010884.db2.gz GKVVDSHNWHCFKB-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000738367270 578011083 /nfs/dbraw/zinc/01/10/83/578011083.db2.gz OXXZVQAUBXRQPL-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000738367270 578011084 /nfs/dbraw/zinc/01/10/84/578011084.db2.gz OXXZVQAUBXRQPL-UHFFFAOYSA-N -1 3 348.326 2.082 20 5 EEBDHM COc1cc(C(=O)O[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1[N+](=O)[O-] ZINC000725946490 576160447 /nfs/dbraw/zinc/16/04/47/576160447.db2.gz AFSPAQOVWHCAHN-SECBINFHSA-N -1 3 349.299 2.084 20 5 EEBDHM COC(=O)c1cnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000727707279 576446717 /nfs/dbraw/zinc/44/67/17/576446717.db2.gz CYOCLBOYXCABJQ-UHFFFAOYSA-N -1 3 343.267 2.368 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)cs1 ZINC000768845837 577563974 /nfs/dbraw/zinc/56/39/74/577563974.db2.gz HLWPERYCYREVRA-LLVKDONJSA-N -1 3 340.382 2.328 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000768846685 577563991 /nfs/dbraw/zinc/56/39/91/577563991.db2.gz MPUBGVLRYVVUHP-LLVKDONJSA-N -1 3 334.419 2.140 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)cs1 ZINC000768879338 577564844 /nfs/dbraw/zinc/56/48/44/577564844.db2.gz AYZGJCJVJVYVGD-UHFFFAOYSA-N -1 3 333.778 2.183 20 5 EEBDHM CCOC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736611842 578214919 /nfs/dbraw/zinc/21/49/19/578214919.db2.gz WRUDLILMKBRCTL-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM CCOC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736611842 578214920 /nfs/dbraw/zinc/21/49/20/578214920.db2.gz WRUDLILMKBRCTL-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM CS[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737179869 578242499 /nfs/dbraw/zinc/24/24/99/578242499.db2.gz NRGAOUWCVAILMB-SCZZXKLOSA-N -1 3 335.393 2.256 20 5 EEBDHM CS[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737179869 578242500 /nfs/dbraw/zinc/24/25/00/578242500.db2.gz NRGAOUWCVAILMB-SCZZXKLOSA-N -1 3 335.393 2.256 20 5 EEBDHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000737918436 578272931 /nfs/dbraw/zinc/27/29/31/578272931.db2.gz DEPPAWJMDGMTFN-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000737918436 578272932 /nfs/dbraw/zinc/27/29/32/578272932.db2.gz DEPPAWJMDGMTFN-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM COc1ccc([C@@H](NCCOc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737967868 578274901 /nfs/dbraw/zinc/27/49/01/578274901.db2.gz ABFODQYOZOYHPU-MRXNPFEDSA-N -1 3 346.339 2.398 20 5 EEBDHM COc1ccc(COc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826207339 607540436 /nfs/dbraw/zinc/54/04/36/607540436.db2.gz KLPBIBXBPIFFNW-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc(COc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826207339 607540438 /nfs/dbraw/zinc/54/04/38/607540438.db2.gz KLPBIBXBPIFFNW-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000820926621 606043145 /nfs/dbraw/zinc/04/31/45/606043145.db2.gz UEDRJISLJDQOMQ-GFCCVEGCSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000820926621 606043150 /nfs/dbraw/zinc/04/31/50/606043150.db2.gz UEDRJISLJDQOMQ-GFCCVEGCSA-N -1 3 332.364 2.392 20 5 EEBDHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000821573104 606485389 /nfs/dbraw/zinc/48/53/89/606485389.db2.gz BCMDFXAVQVBRAL-UHFFFAOYSA-N -1 3 330.329 2.113 20 5 EEBDHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000821573104 606485390 /nfs/dbraw/zinc/48/53/90/606485390.db2.gz BCMDFXAVQVBRAL-UHFFFAOYSA-N -1 3 330.329 2.113 20 5 EEBDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822168479 606974023 /nfs/dbraw/zinc/97/40/23/606974023.db2.gz NSPPMNZFIOLCRZ-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822168479 606974024 /nfs/dbraw/zinc/97/40/24/606974024.db2.gz NSPPMNZFIOLCRZ-UHFFFAOYSA-N -1 3 338.327 2.360 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C12CCC(CC1)C2 ZINC001059461548 685451645 /nfs/dbraw/zinc/45/16/45/685451645.db2.gz NSPGCUFDRJJPLC-PHFHNXQFSA-N -1 3 346.387 2.335 20 5 EEBDHM COc1ccc([C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CCN2)cc1 ZINC000879524055 1201121028 /nfs/dbraw/zinc/12/10/28/1201121028.db2.gz RNBZMLCZFOSPCG-KRWDZBQOSA-N -1 3 343.383 2.456 20 5 EEBDHM CCN(CCCNC(=O)c1cc(C)co1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095946752 1232471759 /nfs/dbraw/zinc/47/17/59/1232471759.db2.gz LEPBBTLNWIDVQR-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM Cc1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(F)c1 ZINC001101981121 1246279807 /nfs/dbraw/zinc/27/98/07/1246279807.db2.gz NBARAPAMYRENKM-UHFFFAOYSA-N -1 3 348.334 2.327 20 5 EEBDHM CC(F)(F)CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110395255 1279600023 /nfs/dbraw/zinc/60/00/23/1279600023.db2.gz BEZJNDNMYNUKNA-UHFFFAOYSA-N -1 3 344.318 2.192 20 5 EEBDHM Cc1cc(=O)[n-]c(CNc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC001307157843 1331511885 /nfs/dbraw/zinc/51/18/85/1331511885.db2.gz ZYDNINZLUAVEPQ-UHFFFAOYSA-N -1 3 340.137 2.168 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nnn[n-]3)CC2)cc1OC(F)F ZINC001307189744 1331516210 /nfs/dbraw/zinc/51/62/10/1331516210.db2.gz OGHFFJXETNCGFI-UHFFFAOYSA-N -1 3 340.290 2.093 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nn[n-]n3)CC2)cc1OC(F)F ZINC001307189744 1331516211 /nfs/dbraw/zinc/51/62/11/1331516211.db2.gz OGHFFJXETNCGFI-UHFFFAOYSA-N -1 3 340.290 2.093 20 5 EEBDHM Cc1csc(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])n1 ZINC001309043888 1331615689 /nfs/dbraw/zinc/61/56/89/1331615689.db2.gz RXZVPMJLCBZOBI-UHFFFAOYSA-N -1 3 347.443 2.251 20 5 EEBDHM C[C@@H](CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1nccs1 ZINC001609111886 1351848553 /nfs/dbraw/zinc/84/85/53/1351848553.db2.gz LOCXOCUEDGIRPK-VIFPVBQESA-N -1 3 345.388 2.471 20 5 EEBDHM C[C@@H](CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1nccs1 ZINC001609111886 1351848555 /nfs/dbraw/zinc/84/85/55/1351848555.db2.gz LOCXOCUEDGIRPK-VIFPVBQESA-N -1 3 345.388 2.471 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609258575 1351913463 /nfs/dbraw/zinc/91/34/63/1351913463.db2.gz MUNVWBUCFNMKLN-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM CCn1ccnc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609258575 1351913465 /nfs/dbraw/zinc/91/34/65/1351913465.db2.gz MUNVWBUCFNMKLN-VIFPVBQESA-N -1 3 328.336 2.164 20 5 EEBDHM COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001609306222 1351926349 /nfs/dbraw/zinc/92/63/49/1351926349.db2.gz ZOBQVUHEOSMETI-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001609306222 1351926352 /nfs/dbraw/zinc/92/63/52/1351926352.db2.gz ZOBQVUHEOSMETI-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM COc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)cc1[N+](=O)[O-] ZINC001609356572 1351945297 /nfs/dbraw/zinc/94/52/97/1351945297.db2.gz RDFFPSDNFPZRHA-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM COc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)cc1[N+](=O)[O-] ZINC001609356572 1351945299 /nfs/dbraw/zinc/94/52/99/1351945299.db2.gz RDFFPSDNFPZRHA-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM Cc1cc(NCC2(CCO)CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409510 1351965085 /nfs/dbraw/zinc/96/50/85/1351965085.db2.gz MJHRNHCVZSJCMU-UHFFFAOYSA-N -1 3 346.391 2.438 20 5 EEBDHM Cc1cc(NCC2(CCO)CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409510 1351965086 /nfs/dbraw/zinc/96/50/86/1351965086.db2.gz MJHRNHCVZSJCMU-UHFFFAOYSA-N -1 3 346.391 2.438 20 5 EEBDHM O=[N+]([O-])c1cnc(NC2CCC(C(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC001609603519 1352032299 /nfs/dbraw/zinc/03/22/99/1352032299.db2.gz KMKXQFRWEBLNFU-UHFFFAOYSA-N -1 3 339.306 2.406 20 5 EEBDHM O=[N+]([O-])c1cnc(NC2CCC(C(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC001609603519 1352032304 /nfs/dbraw/zinc/03/23/04/1352032304.db2.gz KMKXQFRWEBLNFU-UHFFFAOYSA-N -1 3 339.306 2.406 20 5 EEBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC001609875575 1352108930 /nfs/dbraw/zinc/10/89/30/1352108930.db2.gz UYHLSQXBBKHIQI-LBPRGKRZSA-N -1 3 344.371 2.128 20 5 EEBDHM CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001588917541 1348946745 /nfs/dbraw/zinc/94/67/45/1348946745.db2.gz PRUYSKXZEZNSKY-UHFFFAOYSA-N -1 3 340.299 2.352 20 5 EEBDHM CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001588917541 1348946748 /nfs/dbraw/zinc/94/67/48/1348946748.db2.gz PRUYSKXZEZNSKY-UHFFFAOYSA-N -1 3 340.299 2.352 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001589104978 1348960585 /nfs/dbraw/zinc/96/05/85/1348960585.db2.gz LPLIHTDWPXRFIK-FZMZJTMJSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001589104978 1348960587 /nfs/dbraw/zinc/96/05/87/1348960587.db2.gz LPLIHTDWPXRFIK-FZMZJTMJSA-N -1 3 346.391 2.008 20 5 EEBDHM C[C@@H](C[C@H]1CCOC1)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589803009 1349047696 /nfs/dbraw/zinc/04/76/96/1349047696.db2.gz MSPROSPQYSPTJQ-DTWKUNHWSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@@H](C[C@H]1CCOC1)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589803009 1349047698 /nfs/dbraw/zinc/04/76/98/1349047698.db2.gz MSPROSPQYSPTJQ-DTWKUNHWSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC12CCC2 ZINC001590273847 1349242827 /nfs/dbraw/zinc/24/28/27/1349242827.db2.gz AVKGUDQFWSQRJV-SNVBAGLBSA-N -1 3 343.391 2.374 20 5 EEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC12CCC2 ZINC001590273847 1349242832 /nfs/dbraw/zinc/24/28/32/1349242832.db2.gz AVKGUDQFWSQRJV-SNVBAGLBSA-N -1 3 343.391 2.374 20 5 EEBDHM CC[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590473061 1349346800 /nfs/dbraw/zinc/34/68/00/1349346800.db2.gz XYFFCKSUJUUIBI-CMPLNLGQSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001590473061 1349346806 /nfs/dbraw/zinc/34/68/06/1349346806.db2.gz XYFFCKSUJUUIBI-CMPLNLGQSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)cnn1)c1cccc([N+](=O)[O-])c1 ZINC001590868714 1349406870 /nfs/dbraw/zinc/40/68/70/1349406870.db2.gz YQATUFSNYBNEEH-LBPRGKRZSA-N -1 3 326.320 2.128 20 5 EEBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)cnn1)c1cccc([N+](=O)[O-])c1 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340.343 2.438 20 5 EEBDHM COc1ccccc1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591648153 1349524259 /nfs/dbraw/zinc/52/42/59/1349524259.db2.gz CAWZIGLNZCRHLT-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM Cc1ncc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001592410046 1349628243 /nfs/dbraw/zinc/62/82/43/1349628243.db2.gz XLPWIHIALPDJDE-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM O=C(COc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001592899806 1349725668 /nfs/dbraw/zinc/72/56/68/1349725668.db2.gz URNROAUDOWATLE-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM O=C(COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001592899806 1349725670 /nfs/dbraw/zinc/72/56/70/1349725670.db2.gz URNROAUDOWATLE-UHFFFAOYSA-N -1 3 325.284 2.037 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1cc(C2CCC2)cn1 ZINC001593468824 1349804699 /nfs/dbraw/zinc/80/46/99/1349804699.db2.gz SSLZMBPTGXCTCP-UHFFFAOYSA-N -1 3 325.332 2.287 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1cc(C2CCC2)cn1 ZINC001593468824 1349804700 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O=[N+]([O-])c1cc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)ccc1-c1nnn[n-]1 ZINC001607079956 1351409029 /nfs/dbraw/zinc/40/90/29/1351409029.db2.gz PUFQVEBNXPNALL-NURSFMCSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc1CO ZINC001607083653 1351410768 /nfs/dbraw/zinc/41/07/68/1351410768.db2.gz MDSOJXNRCWIMFM-UHFFFAOYSA-N -1 3 348.706 2.108 20 5 EEBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1CO ZINC001607083653 1351410769 /nfs/dbraw/zinc/41/07/69/1351410769.db2.gz MDSOJXNRCWIMFM-UHFFFAOYSA-N -1 3 348.706 2.108 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccn2ccnc2c1 ZINC001607084510 1351411756 /nfs/dbraw/zinc/41/17/56/1351411756.db2.gz JUFLTYHNWRWVMQ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccn2ccnc2c1 ZINC001607084510 1351411757 /nfs/dbraw/zinc/41/17/57/1351411757.db2.gz JUFLTYHNWRWVMQ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C(=O)[O-] ZINC001607439068 1351494564 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O=[N+]([O-])c1cnc(N[C@H]2CCc3ccc(F)cc32)c(-c2nn[n-]n2)c1 ZINC000738368694 578011110 /nfs/dbraw/zinc/01/11/10/578011110.db2.gz IURLMFZDPAZCAP-ZDUSSCGKSA-N -1 3 341.306 2.408 20 5 EEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1c(C)nc(C)[n-]c1=O)CC2 ZINC000773985787 577376689 /nfs/dbraw/zinc/37/66/89/577376689.db2.gz QNLLMCULUHGQNU-UHFFFAOYSA-N -1 3 342.355 2.147 20 5 EEBDHM COc1ccc([C@H](NCCOc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737967867 578274946 /nfs/dbraw/zinc/27/49/46/578274946.db2.gz ABFODQYOZOYHPU-INIZCTEOSA-N -1 3 346.339 2.398 20 5 EEBDHM COC(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821673670 599067374 /nfs/dbraw/zinc/06/73/74/599067374.db2.gz IPOAYDUQYMPVCW-UHFFFAOYSA-N -1 3 343.347 2.160 20 5 EEBDHM COC(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821673670 599067377 /nfs/dbraw/zinc/06/73/77/599067377.db2.gz IPOAYDUQYMPVCW-UHFFFAOYSA-N -1 3 343.347 2.160 20 5 EEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822471869 607295524 /nfs/dbraw/zinc/29/55/24/607295524.db2.gz LPEARGHOBQZGSS-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822471869 607295525 /nfs/dbraw/zinc/29/55/25/607295525.db2.gz LPEARGHOBQZGSS-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(F)cc3C2)c(-c2nnn[n-]2)c1 ZINC000823639940 607332310 /nfs/dbraw/zinc/33/23/10/607332310.db2.gz MUMWEVCWNGXTCI-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(F)cc3C2)c(-c2nn[n-]n2)c1 ZINC000823639940 607332311 /nfs/dbraw/zinc/33/23/11/607332311.db2.gz MUMWEVCWNGXTCI-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM C[C@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C(=O)[O-] ZINC000828465842 601814263 /nfs/dbraw/zinc/81/42/63/601814263.db2.gz YHMMYDWEHAYLPZ-XHDPSFHLSA-N -1 3 330.344 2.068 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823643877 606440968 /nfs/dbraw/zinc/44/09/68/606440968.db2.gz DQOARAFGADFMDO-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823643877 606440969 /nfs/dbraw/zinc/44/09/69/606440969.db2.gz DQOARAFGADFMDO-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1NCCNc1ncccc1-c1nnn[n-]1 ZINC000822332389 606460650 /nfs/dbraw/zinc/46/06/50/606460650.db2.gz PMJYWZMJJDUQDQ-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1NCCNc1ncccc1-c1nn[n-]n1 ZINC000822332389 606460651 /nfs/dbraw/zinc/46/06/51/606460651.db2.gz PMJYWZMJJDUQDQ-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM COc1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821898566 606644428 /nfs/dbraw/zinc/64/44/28/606644428.db2.gz QHLJNHZBNRVJSW-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc(CNc2sccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204432 608584406 /nfs/dbraw/zinc/58/44/06/608584406.db2.gz KSVAARJUTFXLOQ-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM COc1ccc(CNc2sccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204432 608584408 /nfs/dbraw/zinc/58/44/08/608584408.db2.gz KSVAARJUTFXLOQ-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM O=[N+]([O-])c1ccc2ncnc(NCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826499249 609438772 /nfs/dbraw/zinc/43/87/72/609438772.db2.gz BBJOQJLWTLNYRR-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccc2ncnc(NCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826499249 609438776 /nfs/dbraw/zinc/43/87/76/609438776.db2.gz BBJOQJLWTLNYRR-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=C([N-]OC1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000311524561 679867241 /nfs/dbraw/zinc/86/72/41/679867241.db2.gz WNBKFJCPCDXKEX-UHFFFAOYSA-N -1 3 330.138 2.356 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001059130595 682481992 /nfs/dbraw/zinc/48/19/92/682481992.db2.gz NMCYMSDPGKDSME-HAQNSBGRSA-N -1 3 346.318 2.207 20 5 EEBDHM CC[C@@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000894406710 682844934 /nfs/dbraw/zinc/84/49/34/682844934.db2.gz HVBKCQFTSQPVGF-DRNJLYFOSA-N -1 3 342.417 2.040 20 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1242468794 /nfs/dbraw/zinc/46/87/94/1242468794.db2.gz PYKNMRCFFFJRSA-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM CCCN(CCNC(=O)c1coc(C)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101139481 1245443535 /nfs/dbraw/zinc/44/35/35/1245443535.db2.gz HEJHPWVGESRDJG-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM CCCN(CCNC(=O)C1(CC)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101231299 1245546784 /nfs/dbraw/zinc/54/67/84/1245546784.db2.gz HXWJQSSHFXGFMZ-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)CC(F)F ZINC001101815166 1246207885 /nfs/dbraw/zinc/20/78/85/1246207885.db2.gz UBOLLAOBNXMCMA-UHFFFAOYSA-N -1 3 346.334 2.247 20 5 EEBDHM CCOC(=O)c1c(Nc2cc([O-])cc([N+](=O)[O-])c2)nn2cccnc12 ZINC001199813972 1285841119 /nfs/dbraw/zinc/84/11/19/1285841119.db2.gz ANMUSIFEJYAACO-UHFFFAOYSA-N -1 3 343.299 2.263 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2ccccc2[O-])c1 ZINC001099980533 1299561759 /nfs/dbraw/zinc/56/17/59/1299561759.db2.gz BVUCOLBYUUUCBK-UHFFFAOYSA-N -1 3 329.356 2.475 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccc(CF)cc1 ZINC001101656808 1299726792 /nfs/dbraw/zinc/72/67/92/1299726792.db2.gz UYRNEYDSSHOMAN-UHFFFAOYSA-N -1 3 348.334 2.349 20 5 EEBDHM CCCc1[nH]ccc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101899670 1299997201 /nfs/dbraw/zinc/99/72/01/1299997201.db2.gz WQADDSNGJPPHJW-UHFFFAOYSA-N -1 3 347.375 2.160 20 5 EEBDHM O=C(CCC(F)F)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111872834 1304035428 /nfs/dbraw/zinc/03/54/28/1304035428.db2.gz XIMWTRBPXNNHGV-UHFFFAOYSA-N -1 3 344.318 2.192 20 5 EEBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(C3CCOCC3)o2)c1Br ZINC001255704515 1318518241 /nfs/dbraw/zinc/51/82/41/1318518241.db2.gz FVJNZDPSEHOQJK-UHFFFAOYSA-N -1 3 344.125 2.024 20 5 EEBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(C3CCOCC3)o2)c1Br ZINC001255704515 1318518249 /nfs/dbraw/zinc/51/82/49/1318518249.db2.gz FVJNZDPSEHOQJK-UHFFFAOYSA-N -1 3 344.125 2.024 20 5 EEBDHM O=c1[n-]ccc(N2CCc3c(ncn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC001307083000 1331507910 /nfs/dbraw/zinc/50/79/10/1331507910.db2.gz FBODUGJQWWPLMC-UHFFFAOYSA-N -1 3 337.339 2.444 20 5 EEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC001608914214 1351792603 /nfs/dbraw/zinc/79/26/03/1351792603.db2.gz FNZCFLKXMMFMQC-KBMXLJTQSA-N -1 3 334.372 2.418 20 5 EEBDHM C[C@@H](C1CC1)n1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001609108190 1351846176 /nfs/dbraw/zinc/84/61/76/1351846176.db2.gz FMRCWEDANHTTKU-QMMMGPOBSA-N -1 3 341.335 2.081 20 5 EEBDHM CC[C@@H](C)[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609184154 1351879834 /nfs/dbraw/zinc/87/98/34/1351879834.db2.gz QXVOBIYLADHHOU-BMIGLBTASA-N -1 3 334.380 2.292 20 5 EEBDHM CC[C@@H](C)[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609184154 1351879837 /nfs/dbraw/zinc/87/98/37/1351879837.db2.gz QXVOBIYLADHHOU-BMIGLBTASA-N -1 3 334.380 2.292 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1sccc1-c1nnn[n-]1 ZINC001609280805 1351920537 /nfs/dbraw/zinc/92/05/37/1351920537.db2.gz CUXKVMKOTFTRMQ-UHFFFAOYSA-N -1 3 344.356 2.109 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1sccc1-c1nn[n-]n1 ZINC001609280805 1351920541 /nfs/dbraw/zinc/92/05/41/1351920541.db2.gz CUXKVMKOTFTRMQ-UHFFFAOYSA-N -1 3 344.356 2.109 20 5 EEBDHM COc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001609344124 1351939456 /nfs/dbraw/zinc/93/94/56/1351939456.db2.gz DEBLBKRSLYKPBP-UHFFFAOYSA-N -1 3 340.343 2.073 20 5 EEBDHM Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609418891 1351969349 /nfs/dbraw/zinc/96/93/49/1351969349.db2.gz AWYNBVNRNYBZRE-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609418891 1351969352 /nfs/dbraw/zinc/96/93/52/1351969352.db2.gz AWYNBVNRNYBZRE-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc2c1OCCO2 ZINC001609600701 1352030714 /nfs/dbraw/zinc/03/07/14/1352030714.db2.gz ZYUUDGCDCYAIHW-UHFFFAOYSA-N -1 3 341.283 2.338 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc2c1OCCO2 ZINC001609600701 1352030718 /nfs/dbraw/zinc/03/07/18/1352030718.db2.gz ZYUUDGCDCYAIHW-UHFFFAOYSA-N -1 3 341.283 2.338 20 5 EEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609603710 1352032493 /nfs/dbraw/zinc/03/24/93/1352032493.db2.gz ZQEPMNILWPFKJA-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609603710 1352032497 /nfs/dbraw/zinc/03/24/97/1352032497.db2.gz ZQEPMNILWPFKJA-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001610214196 1352187076 /nfs/dbraw/zinc/18/70/76/1352187076.db2.gz MHMSPSWXCYTUEV-AWEZNQCLSA-N -1 3 338.360 2.313 20 5 EEBDHM CC(C)C[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589659699 1349016867 /nfs/dbraw/zinc/01/68/67/1349016867.db2.gz HPYYQYINWDHESY-LBPRGKRZSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)OC(=O)CC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589803401 1349047663 /nfs/dbraw/zinc/04/76/63/1349047663.db2.gz QDJCKSZDJICTPN-JTQLQIEISA-N -1 3 348.363 2.307 20 5 EEBDHM CC(C)OC(=O)CC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589803401 1349047668 /nfs/dbraw/zinc/04/76/68/1349047668.db2.gz QDJCKSZDJICTPN-JTQLQIEISA-N -1 3 348.363 2.307 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC001591555162 1349506909 /nfs/dbraw/zinc/50/69/09/1349506909.db2.gz SAAMIPZWRZLSHQ-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC001591555162 1349506913 /nfs/dbraw/zinc/50/69/13/1349506913.db2.gz SAAMIPZWRZLSHQ-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM Cc1cc(SCC(=O)OC(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592067426 1349588495 /nfs/dbraw/zinc/58/84/95/1349588495.db2.gz WNCJPBAEGKBIQV-UHFFFAOYSA-N -1 3 337.361 2.127 20 5 EEBDHM Cc1cc(SCC(=O)OC(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592067426 1349588499 /nfs/dbraw/zinc/58/84/99/1349588499.db2.gz WNCJPBAEGKBIQV-UHFFFAOYSA-N -1 3 337.361 2.127 20 5 EEBDHM Cc1nc(NCCNc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592391733 1349627389 /nfs/dbraw/zinc/62/73/89/1349627389.db2.gz SGDFRLNWZNGMNI-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1nc(NCCNc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592391733 1349627393 /nfs/dbraw/zinc/62/73/93/1349627393.db2.gz SGDFRLNWZNGMNI-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593296685 1349770535 /nfs/dbraw/zinc/77/05/35/1349770535.db2.gz QVLLVTHDESTNMW-NDMJEZRESA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593296685 1349770536 /nfs/dbraw/zinc/77/05/36/1349770536.db2.gz QVLLVTHDESTNMW-NDMJEZRESA-N -1 3 343.343 2.254 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-c1nnn[n-]1 ZINC001593473414 1349807925 /nfs/dbraw/zinc/80/79/25/1349807925.db2.gz BEPMLGAGLXHZIR-MRVWCRGKSA-N -1 3 342.359 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c(-c2nnn[n-]2)c1 ZINC001593478361 1349810325 /nfs/dbraw/zinc/81/03/25/1349810325.db2.gz UGTFYFKNLIYNBK-NURSFMCSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c(-c2nn[n-]n2)c1 ZINC001593478361 1349810328 /nfs/dbraw/zinc/81/03/28/1349810328.db2.gz UGTFYFKNLIYNBK-NURSFMCSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC001593486052 1349815473 /nfs/dbraw/zinc/81/54/73/1349815473.db2.gz JTTNICRCAOSPHY-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC001593486052 1349815476 /nfs/dbraw/zinc/81/54/76/1349815476.db2.gz JTTNICRCAOSPHY-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM CC(C)(C(=O)[O-])N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001603265779 1350674897 /nfs/dbraw/zinc/67/48/97/1350674897.db2.gz BBTXVFJMEYWYJV-UHFFFAOYSA-N -1 3 327.768 2.233 20 5 EEBDHM CC(C)CO[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603299631 1350682848 /nfs/dbraw/zinc/68/28/48/1350682848.db2.gz PMDUWVWPHZCJJK-LLVKDONJSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)CO[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603299631 1350682851 /nfs/dbraw/zinc/68/28/51/1350682851.db2.gz PMDUWVWPHZCJJK-LLVKDONJSA-N -1 3 332.364 2.026 20 5 EEBDHM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603462820 1350709501 /nfs/dbraw/zinc/70/95/01/1350709501.db2.gz AXRHHCUZTOZOKZ-RNCFNFMXSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@H]1CCC[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001603886464 1350793576 /nfs/dbraw/zinc/79/35/76/1350793576.db2.gz LOGZNTGNDRLDRB-IUCAKERBSA-N -1 3 336.327 2.284 20 5 EEBDHM C[C@H]1CCC[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001603886464 1350793579 /nfs/dbraw/zinc/79/35/79/1350793579.db2.gz LOGZNTGNDRLDRB-IUCAKERBSA-N -1 3 336.327 2.284 20 5 EEBDHM C[C@@](CC(=O)[O-])(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001604087498 1350852522 /nfs/dbraw/zinc/85/25/22/1350852522.db2.gz GPGPNGWWBGVFIU-YOEHRIQHSA-N -1 3 345.355 2.003 20 5 EEBDHM C[C@](CC(=O)[O-])(NCCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001604089768 1350853161 /nfs/dbraw/zinc/85/31/61/1350853161.db2.gz HGEUBPNQEVXGSM-QGZVFWFLSA-N -1 3 345.355 2.348 20 5 EEBDHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001604459470 1350942268 /nfs/dbraw/zinc/94/22/68/1350942268.db2.gz ABGIABFSZGRKAI-JTQLQIEISA-N -1 3 334.332 2.481 20 5 EEBDHM CN(CCCc1ccccc1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604756412 1350997795 /nfs/dbraw/zinc/99/77/95/1350997795.db2.gz VOAJFJDRZUBEMW-UHFFFAOYSA-N -1 3 339.359 2.239 20 5 EEBDHM CN(CCCc1ccccc1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604756412 1350997798 /nfs/dbraw/zinc/99/77/98/1350997798.db2.gz VOAJFJDRZUBEMW-UHFFFAOYSA-N -1 3 339.359 2.239 20 5 EEBDHM Cc1cc(NC[C@H]2CCOC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605730114 1351218944 /nfs/dbraw/zinc/21/89/44/1351218944.db2.gz FBYYVPFGZQBFAM-GHMZBOCLSA-N -1 3 332.364 2.168 20 5 EEBDHM Cc1cc(NC[C@H]2CCOC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605730114 1351218947 /nfs/dbraw/zinc/21/89/47/1351218947.db2.gz FBYYVPFGZQBFAM-GHMZBOCLSA-N -1 3 332.364 2.168 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)c1-c1nnn[n-]1 ZINC001606451461 1351304709 /nfs/dbraw/zinc/30/47/09/1351304709.db2.gz JWVODNLKHOTTPI-LPEHRKFASA-N -1 3 329.364 2.205 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)c1-c1nn[n-]n1 ZINC001606451461 1351304711 /nfs/dbraw/zinc/30/47/11/1351304711.db2.gz JWVODNLKHOTTPI-LPEHRKFASA-N -1 3 329.364 2.205 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccccc1F ZINC001607080992 1351409010 /nfs/dbraw/zinc/40/90/10/1351409010.db2.gz WTHJWUDOHGNEAI-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccccc1F ZINC001607080992 1351409013 /nfs/dbraw/zinc/40/90/13/1351409013.db2.gz WTHJWUDOHGNEAI-ZDUSSCGKSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCOC2(CCCCC2)C1 ZINC001607084236 1351410732 /nfs/dbraw/zinc/41/07/32/1351410732.db2.gz VVZGHDFPOVVZLB-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCOC2(CCCCC2)C1 ZINC001607084236 1351410735 /nfs/dbraw/zinc/41/07/35/1351410735.db2.gz VVZGHDFPOVVZLB-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001101625165 1371020525 /nfs/dbraw/zinc/02/05/25/1371020525.db2.gz YPBDWWADVWZNNT-UHFFFAOYSA-N -1 3 334.376 2.312 20 5 EEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccco2)n1 ZINC001355033586 1373136903 /nfs/dbraw/zinc/13/69/03/1373136903.db2.gz FNAMRRGAKIIUSG-UHFFFAOYSA-N -1 3 343.299 2.381 20 5 EEBDHM CC[C@@H]1CO[C@@H](CC)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590523235 1403883267 /nfs/dbraw/zinc/88/32/67/1403883267.db2.gz VVQZNROGKWFMIN-PWSUYJOCSA-N -1 3 332.364 2.169 20 5 EEBDHM Cc1noc(C)c1CN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592458326 1404695256 /nfs/dbraw/zinc/69/52/56/1404695256.db2.gz SUENRJKHDWOUCW-UHFFFAOYSA-N -1 3 343.347 2.012 20 5 EEBDHM Cc1noc(C)c1CN(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592458326 1404695266 /nfs/dbraw/zinc/69/52/66/1404695266.db2.gz SUENRJKHDWOUCW-UHFFFAOYSA-N -1 3 343.347 2.012 20 5 EEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)[n-]1 ZINC000195182307 1406128005 /nfs/dbraw/zinc/12/80/05/1406128005.db2.gz BBQYMCSJMCSLPD-UHFFFAOYSA-N -1 3 345.237 2.139 20 5 EEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc(C(F)(F)F)n[n-]1 ZINC000195182307 1406128007 /nfs/dbraw/zinc/12/80/07/1406128007.db2.gz BBQYMCSJMCSLPD-UHFFFAOYSA-N -1 3 345.237 2.139 20 5 EEBDHM O=C(CCCF)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104419058 760464625 /nfs/dbraw/zinc/46/46/25/760464625.db2.gz SVJXFSLFJXJEAV-UHFFFAOYSA-N -1 3 340.355 2.286 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CC=CC1 ZINC001106934042 779216581 /nfs/dbraw/zinc/21/65/81/779216581.db2.gz JDWUTDWECLUTQR-UHFFFAOYSA-N -1 3 334.376 2.312 20 5 EEBDHM CCc1ccoc1C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107502320 787452524 /nfs/dbraw/zinc/45/25/24/787452524.db2.gz FIIUIOMJKHIEBW-ONEGZZNKSA-N -1 3 346.343 2.249 20 5 EEBDHM O=C([O-])Cc1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000844206313 788926562 /nfs/dbraw/zinc/92/65/62/788926562.db2.gz CXUMNSKHQIJYQB-UHFFFAOYSA-N -1 3 333.388 2.287 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)c1ccccc1[O-] ZINC001094339004 796113179 /nfs/dbraw/zinc/11/31/79/796113179.db2.gz RIUWMFBPQMLSAI-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)n1 ZINC000952994108 796140091 /nfs/dbraw/zinc/14/00/91/796140091.db2.gz MCTJEYJBZHNZHR-GFCCVEGCSA-N -1 3 344.375 2.183 20 5 EEBDHM Cc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC001094658603 796495805 /nfs/dbraw/zinc/49/58/05/796495805.db2.gz GJFGJVDDLSCPHX-UHFFFAOYSA-N -1 3 348.334 2.375 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC000826173479 947536241 /nfs/dbraw/zinc/53/62/41/947536241.db2.gz GFAQWTKSHRMUOY-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC000826173479 947536251 /nfs/dbraw/zinc/53/62/51/947536251.db2.gz GFAQWTKSHRMUOY-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM O=[N+]([O-])c1ccc([C@H](O)COc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826498318 948414137 /nfs/dbraw/zinc/41/41/37/948414137.db2.gz PJRRHFFUOCNPMC-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1ccc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826498318 948414146 /nfs/dbraw/zinc/41/41/46/948414146.db2.gz PJRRHFFUOCNPMC-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM C[C@@](NCCO[C@H]1CCCCO1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593271732 994606861 /nfs/dbraw/zinc/60/68/61/994606861.db2.gz MCNCWGJEYYATBT-HOCLYGCPSA-N -1 3 338.360 2.027 20 5 EEBDHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273453834 256298103 /nfs/dbraw/zinc/29/81/03/256298103.db2.gz CXSSNYLCBMCWMX-QWRGUYRKSA-N -1 3 346.380 2.217 20 5 EEBDHM Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000074880990 159070989 /nfs/dbraw/zinc/07/09/89/159070989.db2.gz POLUCNMXCOIUTD-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343462688 161138240 /nfs/dbraw/zinc/13/82/40/161138240.db2.gz LMJGEMBYHMGUAV-MRVPVSSYSA-N -1 3 344.418 2.046 20 5 EEBDHM CSc1nsc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000352938927 162353960 /nfs/dbraw/zinc/35/39/60/162353960.db2.gz UHDWINQGBSXWCU-UHFFFAOYSA-N -1 3 340.342 2.149 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C2C(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC000360452373 164313731 /nfs/dbraw/zinc/31/37/31/164313731.db2.gz SGRLQFUNCKRDTB-UHFFFAOYSA-N -1 3 328.390 2.316 20 5 EEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000360667402 164360675 /nfs/dbraw/zinc/36/06/75/164360675.db2.gz XCMPHAIJDZSNMN-ZJUUUORDSA-N -1 3 347.824 2.009 20 5 EEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000364129568 165028592 /nfs/dbraw/zinc/02/85/92/165028592.db2.gz TZIDZIFSBBSIGK-HUUCEWRRSA-N -1 3 340.401 2.078 20 5 EEBDHM CN(C)CCN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158848198 225096852 /nfs/dbraw/zinc/09/68/52/225096852.db2.gz QGJZATAKTXCKJX-UHFFFAOYSA-N -1 3 333.344 2.097 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)CCCCC1 ZINC000123423708 222275463 /nfs/dbraw/zinc/27/54/63/222275463.db2.gz UJUXCFJTJGGXKU-UHFFFAOYSA-N -1 3 348.808 2.222 20 5 EEBDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186008685 279234454 /nfs/dbraw/zinc/23/44/54/279234454.db2.gz ZBISDNNKBTWFSO-TZMCWYRMSA-N -1 3 342.417 2.467 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000287475569 293062666 /nfs/dbraw/zinc/06/26/66/293062666.db2.gz PZMANJOZLZCVCV-JTQLQIEISA-N -1 3 346.430 2.025 20 5 EEBDHM COCC1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000292919119 293077834 /nfs/dbraw/zinc/07/78/34/293077834.db2.gz XUTYGADYYHJUDT-UHFFFAOYSA-N -1 3 328.390 2.080 20 5 EEBDHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299181195 294682520 /nfs/dbraw/zinc/68/25/20/294682520.db2.gz ZICCAQFWGJKONA-UHFFFAOYSA-N -1 3 344.371 2.050 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000267654285 301283421 /nfs/dbraw/zinc/28/34/21/301283421.db2.gz VNPLCEBORYVYBT-QMMMGPOBSA-N -1 3 336.822 2.340 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)C)C1 ZINC000416530805 313248008 /nfs/dbraw/zinc/24/80/08/313248008.db2.gz SMCGRMAECIWTAR-TXEJJXNPSA-N -1 3 328.390 2.138 20 5 EEBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416575629 313262902 /nfs/dbraw/zinc/26/29/02/313262902.db2.gz CRHCWWRUUNMZER-CJNGLKHVSA-N -1 3 348.380 2.186 20 5 EEBDHM CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000436954504 315015872 /nfs/dbraw/zinc/01/58/72/315015872.db2.gz WMLGJSIEFBHIDU-OAHLLOKOSA-N -1 3 343.383 2.203 20 5 EEBDHM 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SEFNJOIMDRIPAB-HAQNSBGRSA-N -1 3 334.376 2.335 20 5 EEBDHM O=[N+]([O-])c1cccc([O-])c1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216846977 1297312156 /nfs/dbraw/zinc/31/21/56/1297312156.db2.gz IWAMUZHGDPTZRC-UHFFFAOYSA-N -1 3 339.311 2.058 20 5 EEBDHM Cc1nc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)[n-]1 ZINC001226511320 1301441391 /nfs/dbraw/zinc/44/13/91/1301441391.db2.gz WRRUNBUTUGTDHC-UHFFFAOYSA-N -1 3 330.344 2.447 20 5 EEBDHM Cc1cc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000781469417 1303804202 /nfs/dbraw/zinc/80/42/02/1303804202.db2.gz JMDDYZPRHJJXKB-UHFFFAOYSA-N -1 3 331.328 2.302 20 5 EEBDHM O=[N+]([O-])C[C@@H](Oc1ccc2occ([O-])c2c1)c1ccc2c(c1)OCO2 ZINC001233680747 1304556440 /nfs/dbraw/zinc/55/64/40/1304556440.db2.gz NCBRKGVJEZOFRW-QGZVFWFLSA-N -1 3 343.291 2.387 20 5 EEBDHM COC(=O)c1cccc2nc(O[C@H](C[N+](=O)[O-])c3cccnc3)[n-]c21 ZINC001234043632 1304704640 /nfs/dbraw/zinc/70/46/40/1304704640.db2.gz GEGPDUWKFGYVBG-CYBMUJFWSA-N -1 3 342.311 2.141 20 5 EEBDHM Cc1ccnc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1-c1nnn[n-]1 ZINC001609438847 1351976992 /nfs/dbraw/zinc/97/69/92/1351976992.db2.gz NZWXGVMNLDOHKB-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM Cc1ccnc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1-c1nn[n-]n1 ZINC001609438847 1351976994 /nfs/dbraw/zinc/97/69/94/1351976994.db2.gz NZWXGVMNLDOHKB-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cscc1-c1nnn[n-]1 ZINC001609565019 1352018575 /nfs/dbraw/zinc/01/85/75/1352018575.db2.gz YWMFGDPMLJPZBA-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cscc1-c1nn[n-]n1 ZINC001609565019 1352018578 /nfs/dbraw/zinc/01/85/78/1352018578.db2.gz YWMFGDPMLJPZBA-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM CCO[C@@H]1C[C@@](NCc2cc(F)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001610028949 1352145091 /nfs/dbraw/zinc/14/50/91/1352145091.db2.gz FZGMXZZBDLUHEH-CZUORRHYSA-N -1 3 340.351 2.482 20 5 EEBDHM C=Cc1ccc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001100340989 1338277761 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ZINC001591969556 1349571617 /nfs/dbraw/zinc/57/16/17/1349571617.db2.gz DGKPGEMTVJYUMK-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1cc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC001591969556 1349571621 /nfs/dbraw/zinc/57/16/21/1349571621.db2.gz DGKPGEMTVJYUMK-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1csc([N+](=O)[O-])c1 ZINC001593294742 1349769572 /nfs/dbraw/zinc/76/95/72/1349769572.db2.gz LQWGFMPHSHNGAT-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1csc([N+](=O)[O-])c1 ZINC001593294742 1349769574 /nfs/dbraw/zinc/76/95/74/1349769574.db2.gz LQWGFMPHSHNGAT-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1nnc(C2CC2)s1 ZINC001593474323 1349808062 /nfs/dbraw/zinc/80/80/62/1349808062.db2.gz CFDRYUBWUIPMDI-UHFFFAOYSA-N -1 3 344.360 2.116 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1nnc(C2CC2)s1 ZINC001593474323 1349808066 /nfs/dbraw/zinc/80/80/66/1349808066.db2.gz CFDRYUBWUIPMDI-UHFFFAOYSA-N 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O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSc1nc2c([nH]1)CCC2 ZINC001593483096 1349813590 /nfs/dbraw/zinc/81/35/90/1349813590.db2.gz ULOYFFOPLJVUBA-UHFFFAOYSA-N -1 3 343.372 2.279 20 5 EEBDHM O=C([O-])C[C@H]1CCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001601954109 1350405009 /nfs/dbraw/zinc/40/50/09/1350405009.db2.gz VLJDRWGGOFRDAF-CYBMUJFWSA-N -1 3 330.344 2.355 20 5 EEBDHM CC(C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])=C1CCC1 ZINC001603037153 1350625575 /nfs/dbraw/zinc/62/55/75/1350625575.db2.gz LVVINPYRZGNFKZ-UHFFFAOYSA-N -1 3 329.316 2.319 20 5 EEBDHM CC(C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])=C1CCC1 ZINC001603037153 1350625580 /nfs/dbraw/zinc/62/55/80/1350625580.db2.gz LVVINPYRZGNFKZ-UHFFFAOYSA-N -1 3 329.316 2.319 20 5 EEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC001603807237 1350773198 /nfs/dbraw/zinc/77/31/98/1350773198.db2.gz OTGBMIUCPJCNJZ-ZFWWWQNUSA-N -1 3 332.364 2.128 20 5 EEBDHM CCc1cnc(CN(C)c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])s1 ZINC001604537876 1350956916 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2.076 20 5 EEBDHM CC(C)(CCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[N+](=O)[O-] ZINC001589272009 1348978222 /nfs/dbraw/zinc/97/82/22/1348978222.db2.gz CVWGEOLJKLLJGU-UHFFFAOYSA-N -1 3 338.755 2.294 20 5 EEBDHM CC(C)(CCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[N+](=O)[O-] ZINC001589272009 1348978225 /nfs/dbraw/zinc/97/82/25/1348978225.db2.gz CVWGEOLJKLLJGU-UHFFFAOYSA-N -1 3 338.755 2.294 20 5 EEBDHM CC(C)OC(=O)CC[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589803391 1349047939 /nfs/dbraw/zinc/04/79/39/1349047939.db2.gz PXUHOOGDTCTVNK-JTQLQIEISA-N -1 3 348.363 2.307 20 5 EEBDHM CC1(C)CC[C@H](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)OC1 ZINC001590089626 1349147955 /nfs/dbraw/zinc/14/79/55/1349147955.db2.gz SQVDVOJDIBMULI-LLVKDONJSA-N -1 3 347.379 2.177 20 5 EEBDHM CC1(C)CC[C@H](CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)OC1 ZINC001590089626 1349147960 /nfs/dbraw/zinc/14/79/60/1349147960.db2.gz SQVDVOJDIBMULI-LLVKDONJSA-N -1 3 347.379 2.177 20 5 EEBDHM CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1OC 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KMMFXNWBZDMFEJ-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM Cn1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001592552856 1349656434 /nfs/dbraw/zinc/65/64/34/1349656434.db2.gz KMMFXNWBZDMFEJ-UHFFFAOYSA-N -1 3 347.722 2.019 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593470439 1349805800 /nfs/dbraw/zinc/80/58/00/1349805800.db2.gz DOPDKEKHEVYTOH-ZDUSSCGKSA-N -1 3 340.318 2.493 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593470439 1349805805 /nfs/dbraw/zinc/80/58/05/1349805805.db2.gz DOPDKEKHEVYTOH-ZDUSSCGKSA-N -1 3 340.318 2.493 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCCC2(CCCC2)C1 ZINC001593471726 1349806573 /nfs/dbraw/zinc/80/65/73/1349806573.db2.gz WVGXJKFDMVBYRV-UHFFFAOYSA-N -1 3 329.364 2.331 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCCC2(CCCC2)C1 ZINC001593471726 1349806578 /nfs/dbraw/zinc/80/65/78/1349806578.db2.gz WVGXJKFDMVBYRV-UHFFFAOYSA-N -1 3 329.364 2.331 20 5 EEBDHM C[C@@]1(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1(F)F ZINC001603800352 1350770773 /nfs/dbraw/zinc/77/07/73/1350770773.db2.gz LQNFRKFCGDPGLK-GFCCVEGCSA-N -1 3 339.306 2.204 20 5 EEBDHM C[C@@]1(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1(F)F ZINC001603800352 1350770779 /nfs/dbraw/zinc/77/07/79/1350770779.db2.gz LQNFRKFCGDPGLK-GFCCVEGCSA-N -1 3 339.306 2.204 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603863779 1350785790 /nfs/dbraw/zinc/78/57/90/1350785790.db2.gz BNVIIOBFEWHWFX-YJRXYDGGSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603863779 1350785793 /nfs/dbraw/zinc/78/57/93/1350785793.db2.gz BNVIIOBFEWHWFX-YJRXYDGGSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@@H]1CC[C@]2(CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)C1 ZINC001603879373 1350790462 /nfs/dbraw/zinc/79/04/62/1350790462.db2.gz BPMCADWTTILDCQ-BMIGLBTASA-N -1 3 329.364 2.186 20 5 EEBDHM C[C@@H]1CC[C@]2(CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)C1 ZINC001603879373 1350790467 /nfs/dbraw/zinc/79/04/67/1350790467.db2.gz BPMCADWTTILDCQ-BMIGLBTASA-N -1 3 329.364 2.186 20 5 EEBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1cccc(-c2nnn[n-]2)c1 ZINC001604617163 1350970862 /nfs/dbraw/zinc/97/08/62/1350970862.db2.gz LFMKHTGYNKWVOV-UHFFFAOYSA-N -1 3 331.361 2.451 20 5 EEBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1cccc(-c2nn[n-]n2)c1 ZINC001604617163 1350970863 /nfs/dbraw/zinc/97/08/63/1350970863.db2.gz LFMKHTGYNKWVOV-UHFFFAOYSA-N -1 3 331.361 2.451 20 5 EEBDHM CNc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC001604896238 1351026847 /nfs/dbraw/zinc/02/68/47/1351026847.db2.gz HKUMGJZIZWUHOM-UHFFFAOYSA-N -1 3 340.347 2.132 20 5 EEBDHM CNc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC001604896238 1351026850 /nfs/dbraw/zinc/02/68/50/1351026850.db2.gz HKUMGJZIZWUHOM-UHFFFAOYSA-N -1 3 340.347 2.132 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1C=O ZINC001605542145 1351185538 /nfs/dbraw/zinc/18/55/38/1351185538.db2.gz YHHRFFCUCGKRGF-UHFFFAOYSA-N -1 3 339.311 2.475 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])cc1C=O ZINC001605542145 1351185539 /nfs/dbraw/zinc/18/55/39/1351185539.db2.gz YHHRFFCUCGKRGF-UHFFFAOYSA-N -1 3 339.311 2.475 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1-c1nnn[n-]1 ZINC001606450907 1351304810 /nfs/dbraw/zinc/30/48/10/1351304810.db2.gz BCRPWLQRUVIOPF-KXUCPTDWSA-N -1 3 329.364 2.205 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1-c1nn[n-]n1 ZINC001606450907 1351304812 /nfs/dbraw/zinc/30/48/12/1351304812.db2.gz BCRPWLQRUVIOPF-KXUCPTDWSA-N -1 3 329.364 2.205 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001606977173 1351389962 /nfs/dbraw/zinc/38/99/62/1351389962.db2.gz JCQFSMYYWDKBGY-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001606977173 1351389965 /nfs/dbraw/zinc/38/99/65/1351389965.db2.gz JCQFSMYYWDKBGY-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@H]1CCCOC1 ZINC001607080647 1351409337 /nfs/dbraw/zinc/40/93/37/1351409337.db2.gz VZXRAIUQVDCZDH-JTQLQIEISA-N -1 3 335.389 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@H]1CCCOC1 ZINC001607080647 1351409338 /nfs/dbraw/zinc/40/93/38/1351409338.db2.gz VZXRAIUQVDCZDH-JTQLQIEISA-N -1 3 335.389 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3cccnc3)C2)c(-c2nnn[n-]2)c1 ZINC001607082231 1351410154 /nfs/dbraw/zinc/41/01/54/1351410154.db2.gz SYFWUFSFOAKPED-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3cccnc3)C2)c(-c2nn[n-]n2)c1 ZINC001607082231 1351410157 /nfs/dbraw/zinc/41/01/57/1351410157.db2.gz SYFWUFSFOAKPED-LBPRGKRZSA-N -1 3 337.343 2.164 20 5 EEBDHM COc1cc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001579937144 1403799573 /nfs/dbraw/zinc/79/95/73/1403799573.db2.gz FGOFRQOFSKKOTR-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM COc1cc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001579937144 1403799576 /nfs/dbraw/zinc/79/95/76/1403799576.db2.gz FGOFRQOFSKKOTR-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM Cc1cc(C)c(C(=O)N(C)CCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001105377084 781097905 /nfs/dbraw/zinc/09/79/05/781097905.db2.gz OFJPHBRRMDHAJD-UHFFFAOYSA-N -1 3 348.359 2.114 20 5 EEBDHM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001091498268 790984615 /nfs/dbraw/zinc/98/46/15/790984615.db2.gz NXIDDAXHRHFARZ-UMSPYCQHSA-N -1 3 348.403 2.438 20 5 EEBDHM Cc1sccc1C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107161558 786172561 /nfs/dbraw/zinc/17/25/61/786172561.db2.gz KEPGUPZOUQZDFF-NSCUHMNNSA-N -1 3 348.384 2.463 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CSCCS2)c(-c2nnn[n-]2)c1 ZINC000823640161 787847806 /nfs/dbraw/zinc/84/78/06/787847806.db2.gz WGWAZXFGARNBPJ-SECBINFHSA-N -1 3 338.418 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CSCCS2)c(-c2nn[n-]n2)c1 ZINC000823640161 787847816 /nfs/dbraw/zinc/84/78/16/787847816.db2.gz WGWAZXFGARNBPJ-SECBINFHSA-N -1 3 338.418 2.035 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(C)(F)F ZINC001109668172 805847322 /nfs/dbraw/zinc/84/73/22/805847322.db2.gz QWDQWIRNDRLKNR-UHFFFAOYSA-N -1 3 346.334 2.391 20 5 EEBDHM O=C(c1nnc2ccccc2c1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000172359951 791641674 /nfs/dbraw/zinc/64/16/74/791641674.db2.gz OKXLNVCGJSKYQP-UHFFFAOYSA-N -1 3 336.307 2.034 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccoc1C ZINC001106679282 796091212 /nfs/dbraw/zinc/09/12/12/796091212.db2.gz QJPQSXYBYWGFBR-UHFFFAOYSA-N -1 3 334.332 2.171 20 5 EEBDHM Cc1cc(NCCCNC(=O)c2ccccc2[O-])ncc1[N+](=O)[O-] ZINC001094339061 796112975 /nfs/dbraw/zinc/11/29/75/796112975.db2.gz SHNCCMXHNLSLQF-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM CC([C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001589554040 987296557 /nfs/dbraw/zinc/29/65/57/987296557.db2.gz VVICHUFFJWEUHT-DNJQJEMRSA-N -1 3 325.292 2.186 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCCC[C@@H]2C(=O)[O-])c1 ZINC001598987952 998711748 /nfs/dbraw/zinc/71/17/48/998711748.db2.gz LAATTZHRQSZKHM-CQSZACIVSA-N -1 3 336.344 2.211 20 5 EEBDHM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C(=O)[O-])C1 ZINC001594424227 999587223 /nfs/dbraw/zinc/58/72/23/999587223.db2.gz ORASSMAHVQHWTB-YGRLFVJLSA-N -1 3 336.344 2.146 20 5 EEBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000346611183 282909684 /nfs/dbraw/zinc/90/96/84/282909684.db2.gz VPBMHNDLEYOYPP-NSHDSACASA-N -1 3 346.405 2.087 20 5 EEBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000266166801 248143857 /nfs/dbraw/zinc/14/38/57/248143857.db2.gz IJNYNRGLGGWNFS-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)cc1C ZINC000271250517 256225175 /nfs/dbraw/zinc/22/51/75/256225175.db2.gz HUADTUWARGQYPS-CHWSQXEVSA-N -1 3 342.417 2.305 20 5 EEBDHM CNC(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000120327035 142384383 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ZINC000599444977 469261162 /nfs/dbraw/zinc/26/11/62/469261162.db2.gz OQRYQTRRLANNNX-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC000617877520 469829304 /nfs/dbraw/zinc/82/93/04/469829304.db2.gz QLAAAJQSJNNKPM-UHFFFAOYSA-N -1 3 338.707 2.400 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c[n-]1 ZINC000617877520 469829308 /nfs/dbraw/zinc/82/93/08/469829308.db2.gz QLAAAJQSJNNKPM-UHFFFAOYSA-N -1 3 338.707 2.400 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000738361176 578010723 /nfs/dbraw/zinc/01/07/23/578010723.db2.gz VXJCSTPBBIHLHP-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000738361176 578010724 /nfs/dbraw/zinc/01/07/24/578010724.db2.gz VXJCSTPBBIHLHP-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM COCCN1CCC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737814004 577084214 /nfs/dbraw/zinc/08/42/14/577084214.db2.gz UCUBBTSXAJGFOC-VSKVDJIOSA-N -1 3 349.387 2.215 20 5 EEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1F ZINC000774881663 577421975 /nfs/dbraw/zinc/42/19/75/577421975.db2.gz DERMWFMHXICUSP-UHFFFAOYSA-N -1 3 329.309 2.150 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000751435467 577752404 /nfs/dbraw/zinc/75/24/04/577752404.db2.gz KKRNVNQPRGWWKA-JTQLQIEISA-N -1 3 342.398 2.058 20 5 EEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccs1 ZINC000736141045 578183040 /nfs/dbraw/zinc/18/30/40/578183040.db2.gz GJTZUYYULNRUDA-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccs1 ZINC000736141045 578183041 /nfs/dbraw/zinc/18/30/41/578183041.db2.gz GJTZUYYULNRUDA-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000823639753 599049585 /nfs/dbraw/zinc/04/95/85/599049585.db2.gz HBGKWGRAZGMQRE-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM Cc1nn(CN2CCC[C@@H](CC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000819030056 597227637 /nfs/dbraw/zinc/22/76/37/597227637.db2.gz TYEZSZKKOFWYKB-LBPRGKRZSA-N -1 3 332.360 2.397 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823635466 607382875 /nfs/dbraw/zinc/38/28/75/607382875.db2.gz XGLFCOLPKBAENE-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823635466 607382877 /nfs/dbraw/zinc/38/28/77/607382877.db2.gz XGLFCOLPKBAENE-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM CCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOCC1 ZINC000820961763 599688848 /nfs/dbraw/zinc/68/88/48/599688848.db2.gz AOCRJUSCOWTDGA-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM CCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOCC1 ZINC000820961763 599688849 /nfs/dbraw/zinc/68/88/49/599688849.db2.gz AOCRJUSCOWTDGA-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM Cc1c(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236604 607429008 /nfs/dbraw/zinc/42/90/08/607429008.db2.gz TWQZUXSBVAQMII-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM Cc1c(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236604 607429010 /nfs/dbraw/zinc/42/90/10/607429010.db2.gz TWQZUXSBVAQMII-UHFFFAOYSA-N -1 3 339.311 2.231 20 5 EEBDHM O=C([O-])c1sccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833347383 601828565 /nfs/dbraw/zinc/82/85/65/601828565.db2.gz BBMKDMXIFALCFA-LLVKDONJSA-N -1 3 348.384 2.436 20 5 EEBDHM COc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204367 607558523 /nfs/dbraw/zinc/55/85/23/607558523.db2.gz IGNQYMFQHDUWCB-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204367 607558524 /nfs/dbraw/zinc/55/85/24/607558524.db2.gz IGNQYMFQHDUWCB-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000826252830 607652181 /nfs/dbraw/zinc/65/21/81/607652181.db2.gz UBDPCKIQVQSONH-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000826252830 607652183 /nfs/dbraw/zinc/65/21/83/607652183.db2.gz UBDPCKIQVQSONH-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM CC(C)(C)c1cnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000819965576 606138238 /nfs/dbraw/zinc/13/82/38/606138238.db2.gz IVLAEIBUUVIJDB-UHFFFAOYSA-N -1 3 344.335 2.068 20 5 EEBDHM CC(C)(C)c1cnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000819965576 606138239 /nfs/dbraw/zinc/13/82/39/606138239.db2.gz IVLAEIBUUVIJDB-UHFFFAOYSA-N -1 3 344.335 2.068 20 5 EEBDHM Cc1nc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000822453563 606713955 /nfs/dbraw/zinc/71/39/55/606713955.db2.gz LREAJYNIGFOCLZ-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1nc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000822453563 606713956 /nfs/dbraw/zinc/71/39/56/606713956.db2.gz LREAJYNIGFOCLZ-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC000823426201 606996138 /nfs/dbraw/zinc/99/61/38/606996138.db2.gz CPHUEAFHKKYTCP-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1csc([N+](=O)[O-])c1 ZINC000823426201 606996140 /nfs/dbraw/zinc/99/61/40/606996140.db2.gz CPHUEAFHKKYTCP-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000825825420 607789976 /nfs/dbraw/zinc/78/99/76/607789976.db2.gz ATVPZGKPMVSNQN-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000825825420 607789977 /nfs/dbraw/zinc/78/99/77/607789977.db2.gz ATVPZGKPMVSNQN-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM Cc1cccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000826300539 607873409 /nfs/dbraw/zinc/87/34/09/607873409.db2.gz YQHCNQJXPFWVBA-ZDUSSCGKSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000826300539 607873410 /nfs/dbraw/zinc/87/34/10/607873410.db2.gz YQHCNQJXPFWVBA-ZDUSSCGKSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000826498079 609342146 /nfs/dbraw/zinc/34/21/46/609342146.db2.gz HGOYASNWAYVMSH-UHFFFAOYSA-N -1 3 346.297 2.343 20 5 EEBDHM O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1[O-] ZINC001059153359 682728074 /nfs/dbraw/zinc/72/80/74/682728074.db2.gz MGNIGPZPEKWAKM-XYPYZODXSA-N -1 3 328.328 2.068 20 5 EEBDHM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c(C)o1 ZINC001059565345 687117836 /nfs/dbraw/zinc/11/78/36/687117836.db2.gz KCVDHNKFUMVHRY-PHIMTYICSA-N -1 3 346.343 2.278 20 5 EEBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)c2cc[nH]c2)CC1 ZINC001067300336 1230688886 /nfs/dbraw/zinc/68/88/86/1230688886.db2.gz LTRPSEMCBQQEHN-UHFFFAOYSA-N -1 3 345.359 2.130 20 5 EEBDHM O=C(N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001068570459 1251321859 /nfs/dbraw/zinc/32/18/59/1251321859.db2.gz ICZPPSDXVKEYOK-VFDFPUOBSA-N -1 3 346.387 2.048 20 5 EEBDHM CC1(C)OC[C@H]2OC=C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)[C@@H]2O1 ZINC001227743447 1301949239 /nfs/dbraw/zinc/94/92/39/1301949239.db2.gz PIZXIDAUIUYMJQ-MCIONIFRSA-N -1 3 347.327 2.283 20 5 EEBDHM CC1(C)OC[C@H]2OC=C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)[C@@H]2O1 ZINC001227743447 1301949244 /nfs/dbraw/zinc/94/92/44/1301949244.db2.gz PIZXIDAUIUYMJQ-MCIONIFRSA-N -1 3 347.327 2.283 20 5 EEBDHM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CN2CCC1CC2 ZINC001228860856 1302488234 /nfs/dbraw/zinc/48/82/34/1302488234.db2.gz XMBUJYTXKJWBMF-SECBINFHSA-N -1 3 333.266 2.187 20 5 EEBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCS(=O)(=O)CC3)nc2cc1Cl ZINC001233501039 1304486241 /nfs/dbraw/zinc/48/62/41/1304486241.db2.gz WWENZABBCYKQEM-UHFFFAOYSA-N -1 3 345.764 2.081 20 5 EEBDHM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000799537581 1305292264 /nfs/dbraw/zinc/29/22/64/1305292264.db2.gz MEKBLRULOLYLNB-UHFFFAOYSA-N -1 3 343.748 2.453 20 5 EEBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c2nccn21 ZINC001590205979 1349199618 /nfs/dbraw/zinc/19/96/18/1349199618.db2.gz GBBAWQXKLUSDSW-GZMMTYOYSA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c2nccn21 ZINC001590205979 1349199623 /nfs/dbraw/zinc/19/96/23/1349199623.db2.gz GBBAWQXKLUSDSW-GZMMTYOYSA-N -1 3 326.320 2.089 20 5 EEBDHM CC1(C)C[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001609144034 1351859799 /nfs/dbraw/zinc/85/97/99/1351859799.db2.gz GAGFTTJMVXWIBB-JTQLQIEISA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)C[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001609144034 1351859802 /nfs/dbraw/zinc/85/98/02/1351859802.db2.gz GAGFTTJMVXWIBB-JTQLQIEISA-N -1 3 332.364 2.392 20 5 EEBDHM Cc1csc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001609442541 1351979084 /nfs/dbraw/zinc/97/90/84/1351979084.db2.gz RHFKPCAAZSPBGC-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM Cc1csc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001609442541 1351979087 /nfs/dbraw/zinc/97/90/87/1351979087.db2.gz RHFKPCAAZSPBGC-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC001590105974 1349157429 /nfs/dbraw/zinc/15/74/29/1349157429.db2.gz LJODZVJZIGTOST-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM C[C@H]1CCC(F)(F)CN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590231372 1349215118 /nfs/dbraw/zinc/21/51/18/1349215118.db2.gz ROCLURVEYXTVOA-VIFPVBQESA-N -1 3 338.318 2.395 20 5 EEBDHM C[C@H]1CCC(F)(F)CN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590231372 1349215121 /nfs/dbraw/zinc/21/51/21/1349215121.db2.gz ROCLURVEYXTVOA-VIFPVBQESA-N -1 3 338.318 2.395 20 5 EEBDHM COCC1(C)CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591386507 1349477804 /nfs/dbraw/zinc/47/78/04/1349477804.db2.gz NMFZOFBYDNRBHB-UHFFFAOYSA-N -1 3 346.391 2.336 20 5 EEBDHM COCC1(C)CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591386507 1349477816 /nfs/dbraw/zinc/47/78/16/1349477816.db2.gz NMFZOFBYDNRBHB-UHFFFAOYSA-N -1 3 346.391 2.336 20 5 EEBDHM COc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591614238 1349515653 /nfs/dbraw/zinc/51/56/53/1349515653.db2.gz INZYGSGAFXJPAH-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591614238 1349515663 /nfs/dbraw/zinc/51/56/63/1349515663.db2.gz INZYGSGAFXJPAH-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591623338 1349519189 /nfs/dbraw/zinc/51/91/89/1349519189.db2.gz PSZWPYXKEFRBJV-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001593296950 1349771027 /nfs/dbraw/zinc/77/10/27/1349771027.db2.gz STRSRUWAQKSFEG-UHFFFAOYSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001593296950 1349771031 /nfs/dbraw/zinc/77/10/31/1349771031.db2.gz STRSRUWAQKSFEG-UHFFFAOYSA-N -1 3 343.343 2.254 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1Cc2cccc(O)c2C1 ZINC001593470770 1349806077 /nfs/dbraw/zinc/80/60/77/1349806077.db2.gz LASNWKGPMBVPBH-NSHDSACASA-N -1 3 338.327 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1Cc2cccc(O)c2C1 ZINC001593470770 1349806081 /nfs/dbraw/zinc/80/60/81/1349806081.db2.gz LASNWKGPMBVPBH-NSHDSACASA-N -1 3 338.327 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCC2(CCC2)O1 ZINC001593471057 1349806132 /nfs/dbraw/zinc/80/61/32/1349806132.db2.gz MTUBQMVPHQRRIB-NSHDSACASA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCC2(CCC2)O1 ZINC001593471057 1349806135 /nfs/dbraw/zinc/80/61/35/1349806135.db2.gz MTUBQMVPHQRRIB-NSHDSACASA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC001593471254 1349806500 /nfs/dbraw/zinc/80/65/00/1349806500.db2.gz MTOMEYMYXJCUHC-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC001593471254 1349806502 /nfs/dbraw/zinc/80/65/02/1349806502.db2.gz MTOMEYMYXJCUHC-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(NCCOc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001593474889 1349809439 /nfs/dbraw/zinc/80/94/39/1349809439.db2.gz VIDHMNHDTHKWNI-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(F)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593475990 1349809758 /nfs/dbraw/zinc/80/97/58/1349809758.db2.gz HUGPAZAXEOUXRT-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC001593484899 1349815518 /nfs/dbraw/zinc/81/55/18/1349815518.db2.gz MLMDBAFDFVQPTM-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC001593484899 1349815526 /nfs/dbraw/zinc/81/55/26/1349815526.db2.gz MLMDBAFDFVQPTM-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603231420 1350667165 /nfs/dbraw/zinc/66/71/65/1350667165.db2.gz USOOVGNMMHTVFA-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@@H](O)C(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603231420 1350667171 /nfs/dbraw/zinc/66/71/71/1350667171.db2.gz USOOVGNMMHTVFA-CYBMUJFWSA-N -1 3 334.380 2.230 20 5 EEBDHM C[C@H](C1CC1)n1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001603436082 1350705090 /nfs/dbraw/zinc/70/50/90/1350705090.db2.gz DXMOREGEMAURRV-MRVPVSSYSA-N -1 3 341.335 2.081 20 5 EEBDHM C[C@H](C1CC1)n1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC001603436082 1350705093 /nfs/dbraw/zinc/70/50/93/1350705093.db2.gz DXMOREGEMAURRV-MRVPVSSYSA-N -1 3 341.335 2.081 20 5 EEBDHM C[C@@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603449679 1350706864 /nfs/dbraw/zinc/70/68/64/1350706864.db2.gz XJYUDAPFIQFCRY-VIFPVBQESA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603449679 1350706866 /nfs/dbraw/zinc/70/68/66/1350706866.db2.gz XJYUDAPFIQFCRY-VIFPVBQESA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001603691311 1350743007 /nfs/dbraw/zinc/74/30/07/1350743007.db2.gz YGCKRMLGVUVTAJ-INIZCTEOSA-N -1 3 340.343 2.095 20 5 EEBDHM C[C@@H](SCCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001603719392 1350750073 /nfs/dbraw/zinc/75/00/73/1350750073.db2.gz KTLQONYLNMAIRY-SNVBAGLBSA-N -1 3 345.388 2.466 20 5 EEBDHM C[C@@H](SCCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001603719392 1350750076 /nfs/dbraw/zinc/75/00/76/1350750076.db2.gz KTLQONYLNMAIRY-SNVBAGLBSA-N -1 3 345.388 2.466 20 5 EEBDHM C[C@H]1CCC[C@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC001603883931 1350791653 /nfs/dbraw/zinc/79/16/53/1350791653.db2.gz DBRMXWHFELVNCK-QWRGUYRKSA-N -1 3 343.391 2.432 20 5 EEBDHM C[C@H]1CCC[C@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC001603883931 1350791656 /nfs/dbraw/zinc/79/16/56/1350791656.db2.gz DBRMXWHFELVNCK-QWRGUYRKSA-N -1 3 343.391 2.432 20 5 EEBDHM CCN(Cc1ccoc1)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604325016 1350916225 /nfs/dbraw/zinc/91/62/25/1350916225.db2.gz MSXSSSAJQYRRNU-UHFFFAOYSA-N -1 3 328.332 2.390 20 5 EEBDHM CCN(Cc1ccoc1)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604325016 1350916228 /nfs/dbraw/zinc/91/62/28/1350916228.db2.gz MSXSSSAJQYRRNU-UHFFFAOYSA-N -1 3 328.332 2.390 20 5 EEBDHM COc1ccc(Oc2ncc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC001605305576 1351130806 /nfs/dbraw/zinc/13/08/06/1351130806.db2.gz NXINWGXKNVNYJM-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM COc1ccc(Oc2ncc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC001605305576 1351130809 /nfs/dbraw/zinc/13/08/09/1351130809.db2.gz NXINWGXKNVNYJM-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CSc1ccncc1-c1nnn[n-]1 ZINC001605307514 1351131696 /nfs/dbraw/zinc/13/16/96/1351131696.db2.gz DIHVMTWBYHTISV-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CSc1ccncc1-c1nn[n-]n1 ZINC001605307514 1351131699 /nfs/dbraw/zinc/13/16/99/1351131699.db2.gz DIHVMTWBYHTISV-UHFFFAOYSA-N -1 3 344.356 2.471 20 5 EEBDHM Cc1cc(N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724281 1351218088 /nfs/dbraw/zinc/21/80/88/1351218088.db2.gz ZAYPMLSLTMOIEJ-YCWTYVPXSA-N -1 3 332.364 2.307 20 5 EEBDHM Cc1cc(N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724281 1351218092 /nfs/dbraw/zinc/21/80/92/1351218092.db2.gz ZAYPMLSLTMOIEJ-YCWTYVPXSA-N -1 3 332.364 2.307 20 5 EEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cscc1-c1nnn[n-]1 ZINC001606981743 1351391423 /nfs/dbraw/zinc/39/14/23/1351391423.db2.gz DAVFFCYVWAAMJT-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cscc1-c1nn[n-]n1 ZINC001606981743 1351391427 /nfs/dbraw/zinc/39/14/27/1351391427.db2.gz DAVFFCYVWAAMJT-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1CCOC2(CCC2)C1 ZINC001607077829 1351407455 /nfs/dbraw/zinc/40/74/55/1351407455.db2.gz SQBYHJSKCCWHEF-VIFPVBQESA-N -1 3 348.338 2.428 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1CCOC2(CCC2)C1 ZINC001607077829 1351407457 /nfs/dbraw/zinc/40/74/57/1351407457.db2.gz SQBYHJSKCCWHEF-VIFPVBQESA-N -1 3 348.338 2.428 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC(F)(F)C(F)F ZINC001607078038 1351407527 /nfs/dbraw/zinc/40/75/27/1351407527.db2.gz YPKYZAIIBWEKNW-UHFFFAOYSA-N -1 3 338.196 2.226 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC(F)(F)C(F)F ZINC001607078038 1351407529 /nfs/dbraw/zinc/40/75/29/1351407529.db2.gz YPKYZAIIBWEKNW-UHFFFAOYSA-N -1 3 338.196 2.226 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCc2ccsc2C1 ZINC001607077444 1351408048 /nfs/dbraw/zinc/40/80/48/1351408048.db2.gz NCEFGOGAYJDXFG-UHFFFAOYSA-N -1 3 342.384 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCc2ccsc2C1 ZINC001607077444 1351408049 /nfs/dbraw/zinc/40/80/49/1351408049.db2.gz NCEFGOGAYJDXFG-UHFFFAOYSA-N -1 3 342.384 2.395 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)ccc1-c1nnn[n-]1 ZINC001607079957 1351409395 /nfs/dbraw/zinc/40/93/95/1351409395.db2.gz PUFQVEBNXPNALL-OLUVUFQESA-N -1 3 330.348 2.144 20 5 EEBDHM CC1(CC(=O)NC2(C)CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110602732 1369145547 /nfs/dbraw/zinc/14/55/47/1369145547.db2.gz DBSFJSAPDOTTGN-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM Cc1cc(Nc2cc3n(n2)CCCC3)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592056715 1403991411 /nfs/dbraw/zinc/99/14/11/1403991411.db2.gz KMRPZONFUCKBDK-UHFFFAOYSA-N -1 3 340.347 2.360 20 5 EEBDHM Cc1cc(Nc2cc3n(n2)CCCC3)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592056715 1403991417 /nfs/dbraw/zinc/99/14/17/1403991417.db2.gz KMRPZONFUCKBDK-UHFFFAOYSA-N -1 3 340.347 2.360 20 5 EEBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)ccn1 ZINC001593228303 1404747478 /nfs/dbraw/zinc/74/74/78/1404747478.db2.gz NURXPYMAACLWNC-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)ccn1 ZINC001593228303 1404747479 /nfs/dbraw/zinc/74/74/79/1404747479.db2.gz NURXPYMAACLWNC-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM CN(CCNC(=O)CC(C)(C)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100061289 1410584389 /nfs/dbraw/zinc/58/43/89/1410584389.db2.gz WLCBNSBKULQVME-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM CCCCC(=O)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127569590 773979559 /nfs/dbraw/zinc/97/95/59/773979559.db2.gz JAEKSYLPTSQNAY-UHFFFAOYSA-N -1 3 334.376 2.138 20 5 EEBDHM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000178615030 780023981 /nfs/dbraw/zinc/02/39/81/780023981.db2.gz ISCQHJGRSPXDMM-LLVKDONJSA-N -1 3 336.369 2.127 20 5 EEBDHM CC(C)(F)C(=O)N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001063347090 790764276 /nfs/dbraw/zinc/76/42/76/790764276.db2.gz BFSNZIBDFSGMAS-MGCOHNPYSA-N -1 3 340.355 2.283 20 5 EEBDHM O=C(N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001063351475 790777966 /nfs/dbraw/zinc/77/79/66/790777966.db2.gz AFQHIWUIFAQFCG-XYPYZODXSA-N -1 3 345.359 2.177 20 5 EEBDHM Cc1cc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c(C)o1 ZINC001110044606 806447980 /nfs/dbraw/zinc/44/79/80/806447980.db2.gz SOTOVCVALJHHDM-UHFFFAOYSA-N -1 3 346.343 2.280 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000915464931 796049262 /nfs/dbraw/zinc/04/92/62/796049262.db2.gz VLTXZBIQNMEWBJ-UHFFFAOYSA-N -1 3 347.327 2.002 20 5 EEBDHM C=C/C(C)=C/CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110297362 801184693 /nfs/dbraw/zinc/18/46/93/801184693.db2.gz YTCLUUABADZTJR-NYYWCZLTSA-N -1 3 332.360 2.279 20 5 EEBDHM CN(CCNC(=O)CC1(C)CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100051429 802586618 /nfs/dbraw/zinc/58/66/18/802586618.db2.gz AMINTJRMWOBXTI-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001113464812 809036190 /nfs/dbraw/zinc/03/61/90/809036190.db2.gz PYHSOSHSEWGMCX-UHFFFAOYSA-N -1 3 347.375 2.234 20 5 EEBDHM Cc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)[n-]1 ZINC000073001906 203254480 /nfs/dbraw/zinc/25/44/80/203254480.db2.gz LQHYOSABPSVZIY-UHFFFAOYSA-N -1 3 334.307 2.005 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000491503034 246051510 /nfs/dbraw/zinc/05/15/10/246051510.db2.gz 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/nfs/dbraw/zinc/12/79/08/607127908.db2.gz VJTPBGCYDNVFLV-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826304315 607981873 /nfs/dbraw/zinc/98/18/73/607981873.db2.gz GPMYJGSLIDHPQB-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826304315 607981874 /nfs/dbraw/zinc/98/18/74/607981874.db2.gz GPMYJGSLIDHPQB-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCSCC(F)(F)F ZINC000826497812 608800329 /nfs/dbraw/zinc/80/03/29/608800329.db2.gz VRGSEZGDLJHRGJ-UHFFFAOYSA-N -1 3 348.310 2.482 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCSCC(F)(F)F ZINC000826497812 608800331 /nfs/dbraw/zinc/80/03/31/608800331.db2.gz VRGSEZGDLJHRGJ-UHFFFAOYSA-N -1 3 348.310 2.482 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826263548 609424546 /nfs/dbraw/zinc/42/45/46/609424546.db2.gz GUUAWGXFVSEPDP-UHFFFAOYSA-N -1 3 326.316 2.366 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826263548 609424547 /nfs/dbraw/zinc/42/45/47/609424547.db2.gz GUUAWGXFVSEPDP-UHFFFAOYSA-N -1 3 326.316 2.366 20 5 EEBDHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179132 609437296 /nfs/dbraw/zinc/43/72/96/609437296.db2.gz AIQUAOYEYKLSBJ-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001105596309 1188234263 /nfs/dbraw/zinc/23/42/63/1188234263.db2.gz FGQBLIURQLMTHD-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM CCC(=O)c1ccc(N2CCc3c(=O)[n-]cnc3C2)c([N+](=O)[O-])c1 ZINC000795127855 1200742595 /nfs/dbraw/zinc/74/25/95/1200742595.db2.gz SWFIMUTWDIRIOA-UHFFFAOYSA-N -1 3 328.328 2.246 20 5 EEBDHM Cc1ccnc2nc(C(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)nn21 ZINC000813245250 1201183145 /nfs/dbraw/zinc/18/31/45/1201183145.db2.gz NDJVUACXSOPOFI-UHFFFAOYSA-N -1 3 332.707 2.247 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000016719463 1201662217 /nfs/dbraw/zinc/66/22/17/1201662217.db2.gz URSVHYAVQBGFQO-UKTHLTGXSA-N -1 3 339.307 2.326 20 5 EEBDHM O=C(NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1[O-] ZINC001046702266 1235087712 /nfs/dbraw/zinc/08/77/12/1235087712.db2.gz ADVVMEBHZHZKJO-HAQNSBGRSA-N -1 3 342.355 2.316 20 5 EEBDHM CCCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097584011 1244416485 /nfs/dbraw/zinc/41/64/85/1244416485.db2.gz UTHCERLJRAMKGV-PJXYFTJBSA-N -1 3 348.403 2.073 20 5 EEBDHM CC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCCC1 ZINC001110432502 1281153129 /nfs/dbraw/zinc/15/31/29/1281153129.db2.gz AONVIISYRSPUEI-UHFFFAOYSA-N -1 3 336.392 2.361 20 5 EEBDHM CC(C)OCCO[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861794184 1295543214 /nfs/dbraw/zinc/54/32/14/1295543214.db2.gz KDVCXMOBJZDQDZ-UHFFFAOYSA-N -1 3 347.165 2.444 20 5 EEBDHM CCn1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001101898135 1299995667 /nfs/dbraw/zinc/99/56/67/1299995667.db2.gz VRFWMBJMMKTKSM-UHFFFAOYSA-N -1 3 347.375 2.009 20 5 EEBDHM CCOC(=O)C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(F)(F)F ZINC001227693307 1301931088 /nfs/dbraw/zinc/93/10/88/1301931088.db2.gz RXJWJXHDQBBGPR-SSDOTTSWSA-N -1 3 348.237 2.129 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(OC3CCN(c4ncccn4)CC3)[n-]c2c1 ZINC001227746795 1301951750 /nfs/dbraw/zinc/95/17/50/1301951750.db2.gz URIRRDRGTHOGBT-UHFFFAOYSA-N -1 3 340.343 2.309 20 5 EEBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCN(c4ncccn4)CC3)nc2c1 ZINC001227746795 1301951754 /nfs/dbraw/zinc/95/17/54/1301951754.db2.gz URIRRDRGTHOGBT-UHFFFAOYSA-N -1 3 340.343 2.309 20 5 EEBDHM Cc1[n-]c(=O)cc(O[C@H]2CC(=O)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228689953 1302382712 /nfs/dbraw/zinc/38/27/12/1302382712.db2.gz XVZNBONWOWMIBG-ZDUSSCGKSA-N -1 3 343.339 2.184 20 5 EEBDHM CC(C)C(=O)NCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001103671750 1303208066 /nfs/dbraw/zinc/20/80/66/1303208066.db2.gz UAIUIJBAQAQYBY-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM COc1cccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001248001600 1310813283 /nfs/dbraw/zinc/81/32/83/1310813283.db2.gz LCVQMDBNEZNNQS-UHFFFAOYSA-N -1 3 341.283 2.301 20 5 EEBDHM C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590037611 1349120573 /nfs/dbraw/zinc/12/05/73/1349120573.db2.gz OMWDQAJJUVTRAV-ZETCQYMHSA-N -1 3 344.360 2.000 20 5 EEBDHM C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590037611 1349120581 /nfs/dbraw/zinc/12/05/81/1349120581.db2.gz OMWDQAJJUVTRAV-ZETCQYMHSA-N -1 3 344.360 2.000 20 5 EEBDHM C[C@]1(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1(F)F ZINC001590127078 1349165672 /nfs/dbraw/zinc/16/56/72/1349165672.db2.gz JUTSJSIRSVEATA-NSHDSACASA-N -1 3 325.279 2.017 20 5 EEBDHM C[C@]1(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1(F)F ZINC001590127078 1349165676 /nfs/dbraw/zinc/16/56/76/1349165676.db2.gz JUTSJSIRSVEATA-NSHDSACASA-N -1 3 325.279 2.017 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001604979475 1351044292 /nfs/dbraw/zinc/04/42/92/1351044292.db2.gz ZJRIWFGEQXMZRO-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604979475 1351044298 /nfs/dbraw/zinc/04/42/98/1351044298.db2.gz ZJRIWFGEQXMZRO-UHFFFAOYSA-N -1 3 341.283 2.354 20 5 EEBDHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309086373 1331616670 /nfs/dbraw/zinc/61/66/70/1331616670.db2.gz YZGSQQWULBWIJS-SNVBAGLBSA-N -1 3 339.348 2.038 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cnn2ccccc12 ZINC001609601739 1352031483 /nfs/dbraw/zinc/03/14/83/1352031483.db2.gz XNZKZZQYSNAGNZ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cnn2ccccc12 ZINC001609601739 1352031487 /nfs/dbraw/zinc/03/14/87/1352031487.db2.gz XNZKZZQYSNAGNZ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC001609602449 1352031610 /nfs/dbraw/zinc/03/16/10/1352031610.db2.gz MNYSPGZBYLFRBU-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001609602449 1352031615 /nfs/dbraw/zinc/03/16/15/1352031615.db2.gz MNYSPGZBYLFRBU-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609601918 1352032100 /nfs/dbraw/zinc/03/21/00/1352032100.db2.gz IAQRNULPKUKQPV-UHFFFAOYSA-N -1 3 325.332 2.299 20 5 EEBDHM CCN(CCNC(=O)c1cc(C)c(C)o1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100485717 1338425875 /nfs/dbraw/zinc/42/58/75/1338425875.db2.gz XOPKIXKJXUAJEM-UHFFFAOYSA-N -1 3 348.359 2.162 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCCCc2ccccc2)c1-c1nnn[n-]1 ZINC001581909881 1344687229 /nfs/dbraw/zinc/68/72/29/1344687229.db2.gz YUHYQLSLPDWWFU-UHFFFAOYSA-N -1 3 339.359 2.402 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCCCc2ccccc2)c1-c1nn[n-]n1 ZINC001581909881 1344687235 /nfs/dbraw/zinc/68/72/35/1344687235.db2.gz YUHYQLSLPDWWFU-UHFFFAOYSA-N -1 3 339.359 2.402 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001589104980 1348961180 /nfs/dbraw/zinc/96/11/80/1348961180.db2.gz LPLIHTDWPXRFIK-SMDDNHRTSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001589104980 1348961183 /nfs/dbraw/zinc/96/11/83/1348961183.db2.gz LPLIHTDWPXRFIK-SMDDNHRTSA-N -1 3 346.391 2.008 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589803764 1349047782 /nfs/dbraw/zinc/04/77/82/1349047782.db2.gz QHVZGGLTSSEAKP-BXKDBHETSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589803764 1349047788 /nfs/dbraw/zinc/04/77/88/1349047788.db2.gz QHVZGGLTSSEAKP-BXKDBHETSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccns1 ZINC001589967270 1349084849 /nfs/dbraw/zinc/08/48/49/1349084849.db2.gz IXRKYRGEPGQQRS-MRVPVSSYSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccns1 ZINC001589967270 1349084857 /nfs/dbraw/zinc/08/48/57/1349084857.db2.gz IXRKYRGEPGQQRS-MRVPVSSYSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001590002285 1349101664 /nfs/dbraw/zinc/10/16/64/1349101664.db2.gz AAXGHLGYTHEAGM-SNVBAGLBSA-N -1 3 340.343 2.440 20 5 EEBDHM C[C@@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001590002285 1349101669 /nfs/dbraw/zinc/10/16/69/1349101669.db2.gz AAXGHLGYTHEAGM-SNVBAGLBSA-N -1 3 340.343 2.440 20 5 EEBDHM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)O1 ZINC001590095763 1349153331 /nfs/dbraw/zinc/15/33/31/1349153331.db2.gz ZTYMDAYSXGNMAG-SECBINFHSA-N -1 3 347.379 2.117 20 5 EEBDHM CC1(C)CCC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)O1 ZINC001590095763 1349153337 /nfs/dbraw/zinc/15/33/37/1349153337.db2.gz ZTYMDAYSXGNMAG-SECBINFHSA-N -1 3 347.379 2.117 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334731 1349271652 /nfs/dbraw/zinc/27/16/52/1349271652.db2.gz LJMCWLLGDPPIBC-LJYOZPSBSA-N -1 3 336.327 2.138 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334731 1349271662 /nfs/dbraw/zinc/27/16/62/1349271662.db2.gz LJMCWLLGDPPIBC-LJYOZPSBSA-N -1 3 336.327 2.138 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334737 1349272471 /nfs/dbraw/zinc/27/24/71/1349272471.db2.gz LJMCWLLGDPPIBC-WEJSYRTGSA-N -1 3 336.327 2.138 20 5 EEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334737 1349272476 /nfs/dbraw/zinc/27/24/76/1349272476.db2.gz LJMCWLLGDPPIBC-WEJSYRTGSA-N -1 3 336.327 2.138 20 5 EEBDHM CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1(C)C ZINC001591357542 1349471952 /nfs/dbraw/zinc/47/19/52/1349471952.db2.gz GEFQCDZGIIFKDK-CYBMUJFWSA-N -1 3 332.364 2.026 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC2CCC(F)(F)CC2)c1-c1nnn[n-]1 ZINC001592756619 1349712398 /nfs/dbraw/zinc/71/23/98/1349712398.db2.gz DLWDPSTXXNRURD-UHFFFAOYSA-N -1 3 339.306 2.347 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC2CCC(F)(F)CC2)c1-c1nn[n-]n1 ZINC001592756619 1349712401 /nfs/dbraw/zinc/71/24/01/1349712401.db2.gz DLWDPSTXXNRURD-UHFFFAOYSA-N -1 3 339.306 2.347 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001593294878 1349769446 /nfs/dbraw/zinc/76/94/46/1349769446.db2.gz PKLYGGKISIVONI-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001593294878 1349769448 /nfs/dbraw/zinc/76/94/48/1349769448.db2.gz PKLYGGKISIVONI-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1SC[C@@H]1CCCO1 ZINC001593467447 1349803675 /nfs/dbraw/zinc/80/36/75/1349803675.db2.gz QTMQRIUUKWUTSQ-ZETCQYMHSA-N -1 3 325.325 2.185 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)CC1CCCC1 ZINC001593468918 1349804442 /nfs/dbraw/zinc/80/44/42/1349804442.db2.gz VYUCNCKCMWOHAP-GFCCVEGCSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)CC1CCCC1 ZINC001593468918 1349804448 /nfs/dbraw/zinc/80/44/48/1349804448.db2.gz VYUCNCKCMWOHAP-GFCCVEGCSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccn2ccnc2c1 ZINC001593476136 1349809767 /nfs/dbraw/zinc/80/97/67/1349809767.db2.gz WLBYEAQJAAZUKQ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccn2ccnc2c1 ZINC001593476136 1349809769 /nfs/dbraw/zinc/80/97/69/1349809769.db2.gz WLBYEAQJAAZUKQ-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001593484443 1349814408 /nfs/dbraw/zinc/81/44/08/1349814408.db2.gz ZSJCKAZSTZQQSY-UHFFFAOYSA-N -1 3 327.300 2.233 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001593484443 1349814411 /nfs/dbraw/zinc/81/44/11/1349814411.db2.gz ZSJCKAZSTZQQSY-UHFFFAOYSA-N -1 3 327.300 2.233 20 5 EEBDHM CC(C)[C@@H](CO)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001603223744 1350664999 /nfs/dbraw/zinc/66/49/99/1350664999.db2.gz OXJDEPMIWIZDHS-IUODEOHRSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](CO)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001603223744 1350665004 /nfs/dbraw/zinc/66/50/04/1350665004.db2.gz OXJDEPMIWIZDHS-IUODEOHRSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603278145 1350677905 /nfs/dbraw/zinc/67/79/05/1350677905.db2.gz KGHAYQDPCZDOFO-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603278145 1350677910 /nfs/dbraw/zinc/67/79/10/1350677910.db2.gz KGHAYQDPCZDOFO-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603278144 1350678522 /nfs/dbraw/zinc/67/85/22/1350678522.db2.gz KGHAYQDPCZDOFO-HNNXBMFYSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603278144 1350678526 /nfs/dbraw/zinc/67/85/26/1350678526.db2.gz KGHAYQDPCZDOFO-HNNXBMFYSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)c1nnc([C@@H](C)Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[nH]1 ZINC001603411987 1350702029 /nfs/dbraw/zinc/70/20/29/1350702029.db2.gz CRFGRMGSOIEKCN-ZCFIWIBFSA-N -1 3 349.380 2.251 20 5 EEBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccncc1 ZINC001603552534 1350718932 /nfs/dbraw/zinc/71/89/32/1350718932.db2.gz CPBHSJVGFMLROH-JTQLQIEISA-N -1 3 325.332 2.386 20 5 EEBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccncc1 ZINC001603552534 1350718936 /nfs/dbraw/zinc/71/89/36/1350718936.db2.gz CPBHSJVGFMLROH-JTQLQIEISA-N -1 3 325.332 2.386 20 5 EEBDHM C[C@@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603890930 1350794532 /nfs/dbraw/zinc/79/45/32/1350794532.db2.gz ORFQKPSQYFJXBV-ZWNOBZJWSA-N -1 3 347.379 2.177 20 5 EEBDHM C[C@@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603890930 1350794535 /nfs/dbraw/zinc/79/45/35/1350794535.db2.gz ORFQKPSQYFJXBV-ZWNOBZJWSA-N -1 3 347.379 2.177 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001607077921 1351408067 /nfs/dbraw/zinc/40/80/67/1351408067.db2.gz VOFDYQXSTGHHDD-LKFCYVNXSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001607077921 1351408069 /nfs/dbraw/zinc/40/80/69/1351408069.db2.gz VOFDYQXSTGHHDD-LKFCYVNXSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(C2(O)CCC2)CCC1 ZINC001607078694 1351408232 /nfs/dbraw/zinc/40/82/32/1351408232.db2.gz CGVLILDQTUUCFG-UHFFFAOYSA-N -1 3 344.375 2.272 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(C2(O)CCC2)CCC1 ZINC001607078694 1351408236 /nfs/dbraw/zinc/40/82/36/1351408236.db2.gz CGVLILDQTUUCFG-UHFFFAOYSA-N -1 3 344.375 2.272 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](c2ccncc2)C1 ZINC001607079138 1351408526 /nfs/dbraw/zinc/40/85/26/1351408526.db2.gz JPONYOXDNRUWAJ-ZDUSSCGKSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccncc2)C1 ZINC001607079138 1351408527 /nfs/dbraw/zinc/40/85/27/1351408527.db2.gz JPONYOXDNRUWAJ-ZDUSSCGKSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1ccc(F)cc1 ZINC001607079052 1351408708 /nfs/dbraw/zinc/40/87/08/1351408708.db2.gz FUKIBXQCLNNBLP-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1ccc(F)cc1 ZINC001607079052 1351408710 /nfs/dbraw/zinc/40/87/10/1351408710.db2.gz FUKIBXQCLNNBLP-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3cccnc3)C2)c(-c2nnn[n-]2)c1 ZINC001607082230 1351409919 /nfs/dbraw/zinc/40/99/19/1351409919.db2.gz SYFWUFSFOAKPED-GFCCVEGCSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3cccnc3)C2)c(-c2nn[n-]n2)c1 ZINC001607082230 1351409921 /nfs/dbraw/zinc/40/99/21/1351409921.db2.gz SYFWUFSFOAKPED-GFCCVEGCSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(c2ccon2)CC1 ZINC001607084249 1351411312 /nfs/dbraw/zinc/41/13/12/1351411312.db2.gz WJZQOJBVPCVOBM-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(c2ccon2)CC1 ZINC001607084249 1351411313 /nfs/dbraw/zinc/41/13/13/1351411313.db2.gz WJZQOJBVPCVOBM-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=C(N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001063407544 790949150 /nfs/dbraw/zinc/94/91/50/790949150.db2.gz RJUYETPNRAWTRH-HAQNSBGRSA-N -1 3 345.359 2.177 20 5 EEBDHM C=C/C(C)=C/CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107447096 787261988 /nfs/dbraw/zinc/26/19/88/787261988.db2.gz FTVQNFBWARKUCU-ICLXBRQCSA-N -1 3 332.360 2.302 20 5 EEBDHM CCc1ccc(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001107590347 787753288 /nfs/dbraw/zinc/75/32/88/787753288.db2.gz QTWOKLLVZDERQW-ARJAWSKDSA-N -1 3 346.343 2.249 20 5 EEBDHM CN(CCNC(=O)C=C1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099977720 800491305 /nfs/dbraw/zinc/49/13/05/800491305.db2.gz DWFQKKPGSWUMPW-UHFFFAOYSA-N -1 3 334.376 2.138 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000446037722 242150210 /nfs/dbraw/zinc/15/02/10/242150210.db2.gz QNTGGHJIKMKOIX-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000446037722 242150214 /nfs/dbraw/zinc/15/02/14/242150214.db2.gz QNTGGHJIKMKOIX-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)cc1[N+](=O)[O-] ZINC000451543457 243150680 /nfs/dbraw/zinc/15/06/80/243150680.db2.gz BVPAXTXPGMQQTA-LLVKDONJSA-N -1 3 344.418 2.363 20 5 EEBDHM COc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000272853957 256244022 /nfs/dbraw/zinc/24/40/22/256244022.db2.gz VYJBYPBPYLTMDU-UHFFFAOYSA-N -1 3 346.343 2.287 20 5 EEBDHM C[C@@H](CO[N-]C(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C ZINC000273043699 256260163 /nfs/dbraw/zinc/26/01/63/256260163.db2.gz GONOKBJFYBOOTG-QMMMGPOBSA-N -1 3 345.377 2.231 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(F)(F)F)cc1C ZINC000353856185 291992613 /nfs/dbraw/zinc/99/26/13/291992613.db2.gz VNZSJHCSTMODJQ-UHFFFAOYSA-N -1 3 342.295 2.026 20 5 EEBDHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000368422097 153784979 /nfs/dbraw/zinc/78/49/79/153784979.db2.gz KSGIQICOTSRJFQ-UHFFFAOYSA-N -1 3 342.311 2.223 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000126672679 292314202 /nfs/dbraw/zinc/31/42/02/292314202.db2.gz UFTKCXHOELPBSO-SNVBAGLBSA-N -1 3 334.419 2.202 20 5 EEBDHM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000131383478 292387052 /nfs/dbraw/zinc/38/70/52/292387052.db2.gz YVWPRYHXMVRDOX-UHFFFAOYSA-N -1 3 328.390 2.462 20 5 EEBDHM CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000118494221 159366113 /nfs/dbraw/zinc/36/61/13/159366113.db2.gz XJPOYQNACSLIIK-UHFFFAOYSA-N -1 3 345.355 2.493 20 5 EEBDHM Cc1c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000121003064 159398798 /nfs/dbraw/zinc/39/87/98/159398798.db2.gz ACIMGXPVVCHIDT-UHFFFAOYSA-N -1 3 347.302 2.003 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000342513261 161070944 /nfs/dbraw/zinc/07/09/44/161070944.db2.gz KIUKLHMJWSSGQA-SECBINFHSA-N -1 3 341.414 2.269 20 5 EEBDHM Cc1nc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)o1 ZINC000342533002 161072254 /nfs/dbraw/zinc/07/22/54/161072254.db2.gz UAOPLAWGMJVDJZ-UHFFFAOYSA-N -1 3 345.402 2.091 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000343900322 161178947 /nfs/dbraw/zinc/17/89/47/161178947.db2.gz AJRCLQKMGINZGA-OLZOCXBDSA-N -1 3 342.417 2.387 20 5 EEBDHM COc1cc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000344948987 161258402 /nfs/dbraw/zinc/25/84/02/161258402.db2.gz JYFCOHAMPMRLEK-JTQLQIEISA-N -1 3 337.357 2.038 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)cc1C ZINC000345525153 161308516 /nfs/dbraw/zinc/30/85/16/161308516.db2.gz QBHUCWWPKFDRJC-UHFFFAOYSA-N -1 3 337.357 2.421 20 5 EEBDHM Cc1nc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1C ZINC000355810283 163309385 /nfs/dbraw/zinc/30/93/85/163309385.db2.gz LNUNWDPVUNKHPM-UHFFFAOYSA-N -1 3 344.356 2.408 20 5 EEBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)[nH]1 ZINC000359646223 164144508 /nfs/dbraw/zinc/14/45/08/164144508.db2.gz YQTXDVVBRKZRLY-UHFFFAOYSA-N -1 3 343.748 2.458 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157723571 292571925 /nfs/dbraw/zinc/57/19/25/292571925.db2.gz CZOAJEBEXWDCAY-YPMHNXCESA-N -1 3 328.390 2.139 20 5 EEBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000175625513 273999554 /nfs/dbraw/zinc/99/95/54/273999554.db2.gz YYSFZTOIASRFIV-SECBINFHSA-N -1 3 327.387 2.399 20 5 EEBDHM CO[C@](C)(C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CC1 ZINC000291700072 275331503 /nfs/dbraw/zinc/33/15/03/275331503.db2.gz NPACVDIOAFAJHR-OAHLLOKOSA-N -1 3 342.417 2.305 20 5 EEBDHM C[C@H](C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237441451 279239570 /nfs/dbraw/zinc/23/95/70/279239570.db2.gz KVOQCMOUOJAZEO-SECBINFHSA-N -1 3 347.293 2.209 20 5 EEBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC ZINC000295357192 293694540 /nfs/dbraw/zinc/69/45/40/293694540.db2.gz RTOWIDTWGXPIDM-RISCZKNCSA-N -1 3 330.406 2.075 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@H](C)O[C@@H](C)C2)c1C ZINC000162892420 311379859 /nfs/dbraw/zinc/37/98/59/311379859.db2.gz UOWAMOYVJPHWSF-QWRGUYRKSA-N -1 3 342.417 2.446 20 5 EEBDHM O=C(Nc1cc(F)ccc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000174877124 311429405 /nfs/dbraw/zinc/42/94/05/311429405.db2.gz LFUXVXZDXUCVJP-UHFFFAOYSA-N -1 3 343.274 2.273 20 5 EEBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000360892834 312414479 /nfs/dbraw/zinc/41/44/79/312414479.db2.gz ACNYVFRBMDIWDH-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000443344734 315243197 /nfs/dbraw/zinc/24/31/97/315243197.db2.gz PQNTWRQOCSTLHI-MFKMUULPSA-N -1 3 344.433 2.287 20 5 EEBDHM O=C(Nc1nnc(-c2ccco2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444858148 315329499 /nfs/dbraw/zinc/32/94/99/315329499.db2.gz LCPULUXWWPTJPN-UHFFFAOYSA-N -1 3 333.285 2.059 20 5 EEBDHM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)on1 ZINC000555587301 318596787 /nfs/dbraw/zinc/59/67/87/318596787.db2.gz SWYJNBCRCSKVAS-UHFFFAOYSA-N -1 3 339.373 2.241 20 5 EEBDHM CN(C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000580716224 324117988 /nfs/dbraw/zinc/11/79/88/324117988.db2.gz CLBTYBYFWSQUDD-LLVKDONJSA-N -1 3 336.373 2.464 20 5 EEBDHM CCc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000581819388 324322520 /nfs/dbraw/zinc/32/25/20/324322520.db2.gz QRVZCZNTNPQAIU-ZETCQYMHSA-N -1 3 326.296 2.386 20 5 EEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1Cc2ccccc2O1 ZINC000130453470 462757674 /nfs/dbraw/zinc/75/76/74/462757674.db2.gz IXBUWMGZUCOUIW-CQSZACIVSA-N -1 3 348.380 2.018 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000023400709 463066307 /nfs/dbraw/zinc/06/63/07/463066307.db2.gz JEMZYAOLEKJAHE-JTQLQIEISA-N -1 3 337.357 2.038 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000028324741 463223796 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/nfs/dbraw/zinc/11/54/03/1301115403.db2.gz CUKKKHSITGMLNV-ZDUSSCGKSA-N -1 3 326.312 2.392 20 5 EEBDHM CC(C)(C)C(=O)OC1CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690016 1301929977 /nfs/dbraw/zinc/92/99/77/1301929977.db2.gz DPNPJNDVMTUIFH-UHFFFAOYSA-N -1 3 334.332 2.365 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1)C1CC2(CC2)C1 ZINC001111900926 1304070213 /nfs/dbraw/zinc/07/02/13/1304070213.db2.gz LPSRMPJOHLEKCH-UHFFFAOYSA-N -1 3 346.387 2.336 20 5 EEBDHM COc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000837487521 1315086965 /nfs/dbraw/zinc/08/69/65/1315086965.db2.gz IIFDANUXXROPCK-UHFFFAOYSA-N -1 3 345.311 2.333 20 5 EEBDHM O=C([O-])[C@@H](Cc1cncs1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001608547143 1351713900 /nfs/dbraw/zinc/71/39/00/1351713900.db2.gz ZMNDAYHFEGQRNT-LLVKDONJSA-N -1 3 341.776 2.490 20 5 EEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309210599 1331621279 /nfs/dbraw/zinc/62/12/79/1331621279.db2.gz JVFWGJNJDMAYCV-CYBMUJFWSA-N -1 3 348.396 2.118 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)nc1 ZINC001309522945 1331633054 /nfs/dbraw/zinc/63/30/54/1331633054.db2.gz DGQGOOGJQLDFLH-UHFFFAOYSA-N -1 3 333.325 2.215 20 5 EEBDHM CC(C)c1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)on1 ZINC001609104458 1351844634 /nfs/dbraw/zinc/84/46/34/1351844634.db2.gz RRUUBAHPEHEBIN-UHFFFAOYSA-N -1 3 329.320 2.498 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609116003 1351850295 /nfs/dbraw/zinc/85/02/95/1351850295.db2.gz SZOYGPZYQLABEU-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCOC[C@@H]2CC2CCC2)ccc1-c1nnn[n-]1 ZINC001609601469 1352030953 /nfs/dbraw/zinc/03/09/53/1352030953.db2.gz YEZKQRFMBQZXHE-ZDUSSCGKSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCc2ccccc21 ZINC001609600683 1352031042 /nfs/dbraw/zinc/03/10/42/1352031042.db2.gz YLXOEPNVZHYWAR-NSHDSACASA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCc2ccccc21 ZINC001609600683 1352031045 /nfs/dbraw/zinc/03/10/45/1352031045.db2.gz YLXOEPNVZHYWAR-NSHDSACASA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@H](O)c1ccccc1 ZINC001609601422 1352031255 /nfs/dbraw/zinc/03/12/55/1352031255.db2.gz KTZCCIAYCKTQNH-HNNXBMFYSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@H](O)c1ccccc1 ZINC001609601422 1352031259 /nfs/dbraw/zinc/03/12/59/1352031259.db2.gz KTZCCIAYCKTQNH-HNNXBMFYSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(OCC2CC2)CC1 ZINC001609603058 1352031600 /nfs/dbraw/zinc/03/16/00/1352031600.db2.gz XITHGZMBVKCUKU-UHFFFAOYSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(OCC2CC2)CC1 ZINC001609603058 1352031602 /nfs/dbraw/zinc/03/16/02/1352031602.db2.gz XITHGZMBVKCUKU-UHFFFAOYSA-N -1 3 344.375 2.170 20 5 EEBDHM COc1cc(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)c([N+](=O)[O-])cc1[O-] ZINC001343647694 1337343148 /nfs/dbraw/zinc/34/31/48/1337343148.db2.gz 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C[C@H](C[C@H]1CCOC1)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589803013 1349047521 /nfs/dbraw/zinc/04/75/21/1349047521.db2.gz MSPROSPQYSPTJQ-RKDXNWHRSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@@H](CCO)C1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1 ZINC001589833892 1349052683 /nfs/dbraw/zinc/05/26/83/1349052683.db2.gz WGUGZIDHVSTFQH-NSHDSACASA-N -1 3 346.391 2.376 20 5 EEBDHM C[C@@H]1C[C@@H](C)N1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590191024 1349193662 /nfs/dbraw/zinc/19/36/62/1349193662.db2.gz OKOBMXMENHLRFY-RKDXNWHRSA-N -1 3 325.332 2.310 20 5 EEBDHM C[C@@H]1C[C@@H](C)N1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590191024 1349193665 /nfs/dbraw/zinc/19/36/65/1349193665.db2.gz OKOBMXMENHLRFY-RKDXNWHRSA-N -1 3 325.332 2.310 20 5 EEBDHM COc1ccc(OC(=O)c2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591619468 1349517227 /nfs/dbraw/zinc/51/72/27/1349517227.db2.gz LILNNSTXXDXSHR-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(N2CCc3c(cccc3[N+](=O)[O-])C2)n1 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337.343 2.207 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC001600106676 1349972159 /nfs/dbraw/zinc/97/21/59/1349972159.db2.gz JDTNWGYIMXYSGL-QWHCGFSZSA-N -1 3 334.376 2.425 20 5 EEBDHM O=C([O-])COc1ccc(CNCCNc2ccccc2)cc1[N+](=O)[O-] ZINC001602082515 1350433103 /nfs/dbraw/zinc/43/31/03/1350433103.db2.gz AFKDZLLOMCMRLS-UHFFFAOYSA-N -1 3 345.355 2.260 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603278354 1350678384 /nfs/dbraw/zinc/67/83/84/1350678384.db2.gz NQXCKTQSNAFPJX-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603278354 1350678388 /nfs/dbraw/zinc/67/83/88/1350678388.db2.gz NQXCKTQSNAFPJX-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC001603757413 1350759348 /nfs/dbraw/zinc/75/93/48/1350759348.db2.gz NXQKFQUQEXXYJI-CYZMBNFOSA-N -1 3 330.348 2.000 20 5 EEBDHM 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1351219119 /nfs/dbraw/zinc/21/91/19/1351219119.db2.gz FBYYVPFGZQBFAM-MNOVXSKESA-N -1 3 332.364 2.168 20 5 EEBDHM Cc1nn(C)cc1CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001606114910 1351272941 /nfs/dbraw/zinc/27/29/41/1351272941.db2.gz APPAWEBUERBNTE-UHFFFAOYSA-N -1 3 345.388 2.250 20 5 EEBDHM Cc1nn(C)cc1CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001606114910 1351272943 /nfs/dbraw/zinc/27/29/43/1351272943.db2.gz APPAWEBUERBNTE-UHFFFAOYSA-N -1 3 345.388 2.250 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC001606452024 1351305085 /nfs/dbraw/zinc/30/50/85/1351305085.db2.gz XHLDVIWNIUZCGK-LLVKDONJSA-N -1 3 337.343 2.457 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC001606452024 1351305086 /nfs/dbraw/zinc/30/50/86/1351305086.db2.gz XHLDVIWNIUZCGK-LLVKDONJSA-N -1 3 337.343 2.457 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001606451873 1351305385 /nfs/dbraw/zinc/30/53/85/1351305385.db2.gz RKPWBKZOMWDETK-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001606451873 1351305389 /nfs/dbraw/zinc/30/53/89/1351305389.db2.gz RKPWBKZOMWDETK-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC001606977084 1351389873 /nfs/dbraw/zinc/38/98/73/1351389873.db2.gz FGUIXHVSWKRAFY-UHFFFAOYSA-N -1 3 349.690 2.378 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC001606977084 1351389877 /nfs/dbraw/zinc/38/98/77/1351389877.db2.gz FGUIXHVSWKRAFY-UHFFFAOYSA-N -1 3 349.690 2.378 20 5 EEBDHM O=[N+]([O-])c1cc(N2CC[C@H]3CC[C@@H](C2)S3)ccc1-c1nnn[n-]1 ZINC001607079205 1351408195 /nfs/dbraw/zinc/40/81/95/1351408195.db2.gz XWLDTAXNFQJCFA-MNOVXSKESA-N -1 3 332.389 2.249 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H](CO)c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC001607079768 1351408569 /nfs/dbraw/zinc/40/85/69/1351408569.db2.gz LHRSGLUILBGZJH-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H](CO)C1CCCCC1 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COC(=O)N1CCC([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000495795985 316111294 /nfs/dbraw/zinc/11/12/94/316111294.db2.gz RTGVODHUPFGNFS-NSHDSACASA-N -1 3 337.376 2.257 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[n-]1 ZINC000542833750 448726352 /nfs/dbraw/zinc/72/63/52/448726352.db2.gz MSWDQGKOHYTVSQ-UHFFFAOYSA-N -1 3 344.283 2.493 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[n-]n1 ZINC000542833750 448726355 /nfs/dbraw/zinc/72/63/55/448726355.db2.gz MSWDQGKOHYTVSQ-UHFFFAOYSA-N -1 3 344.283 2.493 20 5 EEBDHM C[C@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000358321993 465058608 /nfs/dbraw/zinc/05/86/08/465058608.db2.gz CFZQBHZZHHMOMJ-VIFPVBQESA-N -1 3 341.327 2.073 20 5 EEBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000092264614 462939449 /nfs/dbraw/zinc/93/94/49/462939449.db2.gz MXRCGTWVONLHKE-UHFFFAOYSA-N -1 3 335.385 2.246 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1 ZINC000121810449 463198762 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2.097 20 5 EEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001609351014 1351942409 /nfs/dbraw/zinc/94/24/09/1351942409.db2.gz FACIFCSRSQBQIJ-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM Cc1cccc(CN(C)c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001609431560 1351974425 /nfs/dbraw/zinc/97/44/25/1351974425.db2.gz PGHFUNCRCYXPHZ-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1cccc(CN(C)c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001609431560 1351974428 /nfs/dbraw/zinc/97/44/28/1351974428.db2.gz PGHFUNCRCYXPHZ-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1cnc(CCN(C)c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])s1 ZINC001609441259 1351978420 /nfs/dbraw/zinc/97/84/20/1351978420.db2.gz VTDJJQCBYYDHCM-UHFFFAOYSA-N -1 3 345.388 2.219 20 5 EEBDHM Cc1cnc(CCN(C)c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])s1 ZINC001609441259 1351978422 /nfs/dbraw/zinc/97/84/22/1351978422.db2.gz VTDJJQCBYYDHCM-UHFFFAOYSA-N -1 3 345.388 2.219 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001609575830 1352022539 /nfs/dbraw/zinc/02/25/39/1352022539.db2.gz LGSYZILQXSCGQG-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001609575830 1352022544 /nfs/dbraw/zinc/02/25/44/1352022544.db2.gz LGSYZILQXSCGQG-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@]2(CCSC2)C1 ZINC001609601245 1352030531 /nfs/dbraw/zinc/03/05/31/1352030531.db2.gz SUGQVLKQGPFNCK-OAHLLOKOSA-N -1 3 346.416 2.498 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@]2(CCSC2)C1 ZINC001609601245 1352030535 /nfs/dbraw/zinc/03/05/35/1352030535.db2.gz SUGQVLKQGPFNCK-OAHLLOKOSA-N -1 3 346.416 2.498 20 5 EEBDHM CC(C)OCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589749085 1349029320 /nfs/dbraw/zinc/02/93/20/1349029320.db2.gz WSWLKYQKUXCKEI-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM CC(C)OCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589749085 1349029322 /nfs/dbraw/zinc/02/93/22/1349029322.db2.gz WSWLKYQKUXCKEI-UHFFFAOYSA-N -1 3 349.347 2.023 20 5 EEBDHM C[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590278085 1349245732 /nfs/dbraw/zinc/24/57/32/1349245732.db2.gz WIMKMROESOAZGW-SNVBAGLBSA-N -1 3 329.364 2.186 20 5 EEBDHM C[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590278085 1349245735 /nfs/dbraw/zinc/24/57/35/1349245735.db2.gz WIMKMROESOAZGW-SNVBAGLBSA-N -1 3 329.364 2.186 20 5 EEBDHM CCCN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(F)F ZINC001590627579 1349379043 /nfs/dbraw/zinc/37/90/43/1349379043.db2.gz HHRSOPBGTVNXAA-UHFFFAOYSA-N -1 3 326.307 2.252 20 5 EEBDHM CCCN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC(F)F ZINC001590627579 1349379050 /nfs/dbraw/zinc/37/90/50/1349379050.db2.gz HHRSOPBGTVNXAA-UHFFFAOYSA-N -1 3 326.307 2.252 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001593294466 1349769002 /nfs/dbraw/zinc/76/90/02/1349769002.db2.gz WDZDAWFDYGRMBX-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001593294466 1349769006 /nfs/dbraw/zinc/76/90/06/1349769006.db2.gz WDZDAWFDYGRMBX-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C1CCCC12CCN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CC2 ZINC001593394475 1349796826 /nfs/dbraw/zinc/79/68/26/1349796826.db2.gz WLPRVEHAUXYCIM-UHFFFAOYSA-N -1 3 342.359 2.115 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Nc1cnn(CC2CC2)c1 ZINC001593466732 1349802952 /nfs/dbraw/zinc/80/29/52/1349802952.db2.gz FWAYZRYFKCXVNJ-UHFFFAOYSA-N -1 3 344.310 2.264 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Nc1cnn(CC2CC2)c1 ZINC001593466732 1349802958 /nfs/dbraw/zinc/80/29/58/1349802958.db2.gz FWAYZRYFKCXVNJ-UHFFFAOYSA-N -1 3 344.310 2.264 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCCCC1(F)F ZINC001593470329 1349806176 /nfs/dbraw/zinc/80/61/76/1349806176.db2.gz HXNWKAAJHXZGQZ-SECBINFHSA-N -1 3 339.306 2.407 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCCCC1(F)F ZINC001593470329 1349806180 /nfs/dbraw/zinc/80/61/80/1349806180.db2.gz HXNWKAAJHXZGQZ-SECBINFHSA-N -1 3 339.306 2.407 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCO[C@@H]1CCCCO1 ZINC001593475281 1349809282 /nfs/dbraw/zinc/80/92/82/1349809282.db2.gz NZDOEYFSWMAIGV-CQSZACIVSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCO[C@@H]1CCCCO1 ZINC001593475281 1349809284 /nfs/dbraw/zinc/80/92/84/1349809284.db2.gz NZDOEYFSWMAIGV-CQSZACIVSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001593476383 1349810146 /nfs/dbraw/zinc/81/01/46/1349810146.db2.gz ODGXBXWMIHYEGZ-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001593476383 1349810150 /nfs/dbraw/zinc/81/01/50/1349810150.db2.gz ODGXBXWMIHYEGZ-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC001593478518 1349811154 /nfs/dbraw/zinc/81/11/54/1349811154.db2.gz UWWBIUFVPQNOQQ-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC001593478518 1349811159 /nfs/dbraw/zinc/81/11/59/1349811159.db2.gz UWWBIUFVPQNOQQ-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCC2(CCC2)O1 ZINC001593480116 1349812682 /nfs/dbraw/zinc/81/26/82/1349812682.db2.gz FWTYXBUEGOPMKX-JTQLQIEISA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCC2(CCC2)O1 ZINC001593480116 1349812689 /nfs/dbraw/zinc/81/26/89/1349812689.db2.gz FWTYXBUEGOPMKX-JTQLQIEISA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCNc1ccccc1 ZINC001593483587 1349813684 /nfs/dbraw/zinc/81/36/84/1349813684.db2.gz WUHBREICGHGXRX-UHFFFAOYSA-N -1 3 325.332 2.299 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCNc1ccccc1 ZINC001593483587 1349813690 /nfs/dbraw/zinc/81/36/90/1349813690.db2.gz WUHBREICGHGXRX-UHFFFAOYSA-N -1 3 325.332 2.299 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485676 1349815254 /nfs/dbraw/zinc/81/52/54/1349815254.db2.gz WCXBGYPHSNFTRO-JQWIXIFHSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485676 1349815257 /nfs/dbraw/zinc/81/52/57/1349815257.db2.gz WCXBGYPHSNFTRO-JQWIXIFHSA-N -1 3 329.364 2.408 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCC(=O)[O-])CC(C)C ZINC001600487822 1350063352 /nfs/dbraw/zinc/06/33/52/1350063352.db2.gz ABVYWPGGALERJI-UHFFFAOYSA-N -1 3 337.376 2.274 20 5 EEBDHM C[C@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603449678 1350706674 /nfs/dbraw/zinc/70/66/74/1350706674.db2.gz XJYUDAPFIQFCRY-SECBINFHSA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603449678 1350706677 /nfs/dbraw/zinc/70/66/77/1350706677.db2.gz XJYUDAPFIQFCRY-SECBINFHSA-N -1 3 348.363 2.307 20 5 EEBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1[C@H]1CCCO1 ZINC001603786990 1350767756 /nfs/dbraw/zinc/76/77/56/1350767756.db2.gz GFEQGUAXKUJOBF-ZIAGYGMSSA-N -1 3 344.375 2.169 20 5 EEBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1[C@H]1CCCO1 ZINC001603786990 1350767759 /nfs/dbraw/zinc/76/77/59/1350767759.db2.gz GFEQGUAXKUJOBF-ZIAGYGMSSA-N -1 3 344.375 2.169 20 5 EEBDHM CCOC1CC2(C[C@@H]2Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604412374 1350933059 /nfs/dbraw/zinc/93/30/59/1350933059.db2.gz PDSVEEVSYZVHAT-IQYSWEBNSA-N -1 3 330.348 2.144 20 5 EEBDHM CCOC1CC2(C[C@@H]2Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604412374 1350933061 /nfs/dbraw/zinc/93/30/61/1350933061.db2.gz PDSVEEVSYZVHAT-IQYSWEBNSA-N -1 3 330.348 2.144 20 5 EEBDHM CN(C)c1ccccc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604702491 1350988189 /nfs/dbraw/zinc/98/81/89/1350988189.db2.gz OHSSCSDDPFLVPN-UHFFFAOYSA-N -1 3 339.359 2.453 20 5 EEBDHM CN(C)c1ccccc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604702491 1350988192 /nfs/dbraw/zinc/98/81/92/1350988192.db2.gz OHSSCSDDPFLVPN-UHFFFAOYSA-N -1 3 339.359 2.453 20 5 EEBDHM C[C@]12CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605450508 1351160379 /nfs/dbraw/zinc/16/03/79/1351160379.db2.gz CIJBZGOCDDALGA-YRZLHWLASA-N -1 3 338.371 2.423 20 5 EEBDHM C[C@]12CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605450508 1351160382 /nfs/dbraw/zinc/16/03/82/1351160382.db2.gz CIJBZGOCDDALGA-YRZLHWLASA-N -1 3 338.371 2.423 20 5 EEBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc(C)n2)cc([N+](=O)[O-])c1 ZINC001605624161 1351203290 /nfs/dbraw/zinc/20/32/90/1351203290.db2.gz BHWCPHJSTRBZGF-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc(C)n2)cc([N+](=O)[O-])c1 ZINC001605624161 1351203292 /nfs/dbraw/zinc/20/32/92/1351203292.db2.gz BHWCPHJSTRBZGF-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC[C@]2(O)CCCC2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605732584 1351220062 /nfs/dbraw/zinc/22/00/62/1351220062.db2.gz ZUSFWWVUBABHLF-MRXNPFEDSA-N -1 3 346.391 2.436 20 5 EEBDHM Cc1cc(NC[C@]2(O)CCCC2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605732584 1351220068 /nfs/dbraw/zinc/22/00/68/1351220068.db2.gz ZUSFWWVUBABHLF-MRXNPFEDSA-N -1 3 346.391 2.436 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCc2ccc(F)cc21 ZINC001607080878 1351409165 /nfs/dbraw/zinc/40/91/65/1351409165.db2.gz SPWPYNWBYHNAOW-GFCCVEGCSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCc2ccc(F)cc21 ZINC001607080878 1351409168 /nfs/dbraw/zinc/40/91/68/1351409168.db2.gz SPWPYNWBYHNAOW-GFCCVEGCSA-N -1 3 341.306 2.408 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](F)C3)cc(-c3nnn[n-]3)c2c1 ZINC001607083933 1351411103 /nfs/dbraw/zinc/41/11/03/1351411103.db2.gz TXSZVSNLPGBBKG-SECBINFHSA-N -1 3 343.322 2.261 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](F)C3)cc(-c3nn[n-]n3)c2c1 ZINC001607083933 1351411105 /nfs/dbraw/zinc/41/11/05/1351411105.db2.gz TXSZVSNLPGBBKG-SECBINFHSA-N -1 3 343.322 2.261 20 5 EEBDHM CC[C@H](C)CO[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000816975432 784405854 /nfs/dbraw/zinc/40/58/54/784405854.db2.gz HSSLVAQSABPRCY-ZETCQYMHSA-N -1 3 332.154 2.460 20 5 EEBDHM C=C/C(C)=C/CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107447098 787261868 /nfs/dbraw/zinc/26/18/68/787261868.db2.gz FTVQNFBWARKUCU-QENXGIAESA-N -1 3 332.360 2.302 20 5 EEBDHM CC(C)c1cccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001094252728 796040829 /nfs/dbraw/zinc/04/08/29/796040829.db2.gz FYZJDMYOXRGPBR-UHFFFAOYSA-N -1 3 345.359 2.056 20 5 EEBDHM CC(C)C(C)(C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110243875 800761599 /nfs/dbraw/zinc/76/15/99/800761599.db2.gz UKRNWVYXWISNOA-UHFFFAOYSA-N -1 3 336.392 2.438 20 5 EEBDHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826278677 947801377 /nfs/dbraw/zinc/80/13/77/947801377.db2.gz NWPGIRUQHNTGNS-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826278677 947801381 /nfs/dbraw/zinc/80/13/81/947801381.db2.gz NWPGIRUQHNTGNS-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccnc(NCCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826314363 947914199 /nfs/dbraw/zinc/91/41/99/947914199.db2.gz STCNCGKTQCEMCM-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1ccnc(NCCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826314363 947914204 /nfs/dbraw/zinc/91/42/04/947914204.db2.gz STCNCGKTQCEMCM-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM C[C@](NCC1(Br)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593247609 994464794 /nfs/dbraw/zinc/46/47/94/994464794.db2.gz HGNDTCXCNGJZDE-GFCCVEGCSA-N -1 3 343.177 2.412 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000069042781 201165148 /nfs/dbraw/zinc/16/51/48/201165148.db2.gz IQYPOVJKOYYFNG-NSHDSACASA-N -1 3 326.374 2.238 20 5 EEBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000451806244 243271915 /nfs/dbraw/zinc/27/19/15/243271915.db2.gz ZVDNFUBPWPJSNT-LBPRGKRZSA-N -1 3 336.797 2.342 20 5 EEBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000071888462 203137696 /nfs/dbraw/zinc/13/76/96/203137696.db2.gz BMBBTANPTSOMRD-UHFFFAOYSA-N -1 3 349.730 2.322 20 5 EEBDHM O=C(Nc1ccc(-n2cccn2)nc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000040510442 284295305 /nfs/dbraw/zinc/29/53/05/284295305.db2.gz XDGZVMCWCWSHEV-UHFFFAOYSA-N -1 3 349.310 2.304 20 5 EEBDHM Cc1nn(CCC(=O)N2CCCc3cccc([O-])c32)c(C)c1[N+](=O)[O-] ZINC000155556154 206015432 /nfs/dbraw/zinc/01/54/32/206015432.db2.gz ZYYIWYNNXXJPON-UHFFFAOYSA-N -1 3 344.371 2.483 20 5 EEBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000092268851 159217039 /nfs/dbraw/zinc/21/70/39/159217039.db2.gz HGQXSKIIWQQXLV-UHFFFAOYSA-N -1 3 332.381 2.431 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO ZINC000188929531 160132727 /nfs/dbraw/zinc/13/27/27/160132727.db2.gz LKHOWKOSXXCKAT-KOLCDFICSA-N -1 3 348.808 2.078 20 5 EEBDHM CC(C)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000342497956 161070011 /nfs/dbraw/zinc/07/00/11/161070011.db2.gz NKCOOGSQQLTSII-UHFFFAOYSA-N -1 3 332.316 2.378 20 5 EEBDHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)C1 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ZINC000619489829 469623308 /nfs/dbraw/zinc/62/33/08/469623308.db2.gz QNUKXBNCZSKRHX-LBPRGKRZSA-N -1 3 328.390 2.460 20 5 EEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738233722 578005244 /nfs/dbraw/zinc/00/52/44/578005244.db2.gz GMNJRFAWACDBGP-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738233722 578005245 /nfs/dbraw/zinc/00/52/45/578005245.db2.gz GMNJRFAWACDBGP-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000738374471 578011536 /nfs/dbraw/zinc/01/15/36/578011536.db2.gz OWOFGQYPQURFMB-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000738374471 578011537 /nfs/dbraw/zinc/01/15/37/578011537.db2.gz OWOFGQYPQURFMB-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM Cc1nnc(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)o1 ZINC000776350363 577458108 /nfs/dbraw/zinc/45/81/08/577458108.db2.gz LWHUOQULWUAKMH-UHFFFAOYSA-N -1 3 341.283 2.306 20 5 EEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cccc2c1CCCC2 ZINC000759167351 577638330 /nfs/dbraw/zinc/63/83/30/577638330.db2.gz GTOZNVFJJIALOQ-UHFFFAOYSA-N -1 3 348.384 2.174 20 5 EEBDHM COc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821846299 599312151 /nfs/dbraw/zinc/31/21/51/599312151.db2.gz PXWLEEBMMRXBGW-UHFFFAOYSA-N -1 3 330.329 2.330 20 5 EEBDHM COC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000821684145 606174359 /nfs/dbraw/zinc/17/43/59/606174359.db2.gz STXCULIGOSYLAL-CYBMUJFWSA-N -1 3 344.331 2.476 20 5 EEBDHM COC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000821684145 606174360 /nfs/dbraw/zinc/17/43/60/606174360.db2.gz STXCULIGOSYLAL-CYBMUJFWSA-N -1 3 344.331 2.476 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000823639755 606801744 /nfs/dbraw/zinc/80/17/44/606801744.db2.gz HCFWQJRNFDXHJR-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000823639755 606801747 /nfs/dbraw/zinc/80/17/47/606801747.db2.gz HCFWQJRNFDXHJR-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826500481 607958208 /nfs/dbraw/zinc/95/82/08/607958208.db2.gz ZQRAYDHPOBUQHH-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826500481 607958209 /nfs/dbraw/zinc/95/82/09/607958209.db2.gz ZQRAYDHPOBUQHH-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000826498158 608442560 /nfs/dbraw/zinc/44/25/60/608442560.db2.gz JGYKIUGXVJZKTD-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826498158 608442562 /nfs/dbraw/zinc/44/25/62/608442562.db2.gz JGYKIUGXVJZKTD-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000825980934 608532882 /nfs/dbraw/zinc/53/28/82/608532882.db2.gz MKJAPWNJLJFURG-UHFFFAOYSA-N -1 3 330.373 2.468 20 5 EEBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000825980934 608532883 /nfs/dbraw/zinc/53/28/83/608532883.db2.gz MKJAPWNJLJFURG-UHFFFAOYSA-N -1 3 330.373 2.468 20 5 EEBDHM CO[C@@H]1[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000826144711 608587985 /nfs/dbraw/zinc/58/79/85/608587985.db2.gz PYDWGPNZQWTLBQ-OXHMUOHRSA-N -1 3 332.364 2.246 20 5 EEBDHM CO[C@@H]1[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000826144711 608587986 /nfs/dbraw/zinc/58/79/86/608587986.db2.gz PYDWGPNZQWTLBQ-OXHMUOHRSA-N -1 3 332.364 2.246 20 5 EEBDHM COc1cc(COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826180068 609413004 /nfs/dbraw/zinc/41/30/04/609413004.db2.gz QWBCIXOVBZLHIP-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc(COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826180068 609413005 /nfs/dbraw/zinc/41/30/05/609413005.db2.gz QWBCIXOVBZLHIP-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM Cc1csc(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC001059208261 683260791 /nfs/dbraw/zinc/26/07/91/683260791.db2.gz ADMUHIAFKCFYMV-MGCOHNPYSA-N -1 3 348.384 2.438 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC2(CCC2)C1 ZINC001059779644 689521835 /nfs/dbraw/zinc/52/18/35/689521835.db2.gz WQPOVLISIGLLOR-TXEJJXNPSA-N -1 3 346.387 2.335 20 5 EEBDHM O=C(CC1CCCC1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107014838 1192662436 /nfs/dbraw/zinc/66/24/36/1192662436.db2.gz QQWRBBRTGBRKCN-ONEGZZNKSA-N -1 3 334.376 2.360 20 5 EEBDHM COC(=O)c1cc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000814533431 1199566427 /nfs/dbraw/zinc/56/64/27/1199566427.db2.gz XPIVLBBMTOMKFN-UHFFFAOYSA-N -1 3 348.311 2.335 20 5 EEBDHM COc1ncc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1C ZINC001212844095 1204428667 /nfs/dbraw/zinc/42/86/67/1204428667.db2.gz JZDZVUWKFKRMQM-UHFFFAOYSA-N -1 3 329.272 2.124 20 5 EEBDHM O=C(NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1[O-] ZINC001046228302 1234575738 /nfs/dbraw/zinc/57/57/38/1234575738.db2.gz ADVVMEBHZHZKJO-TXEJJXNPSA-N -1 3 342.355 2.316 20 5 EEBDHM CCc1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001101603609 1246016910 /nfs/dbraw/zinc/01/69/10/1246016910.db2.gz ZSHAFQYIUXAATN-UHFFFAOYSA-N -1 3 344.371 2.442 20 5 EEBDHM CN(CCNC(=O)CCCC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099958909 1258467889 /nfs/dbraw/zinc/46/78/89/1258467889.db2.gz KZXFJNVTSTVJLF-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM CN(CCNC(=O)c1ccccc1[O-])c1cccc(F)c1[N+](=O)[O-] ZINC001099980688 1299561802 /nfs/dbraw/zinc/56/18/02/1299561802.db2.gz FWWUSAALYLNJNW-UHFFFAOYSA-N -1 3 333.319 2.306 20 5 EEBDHM Cc1ccc2c(ccnc2NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001164371290 1321364213 /nfs/dbraw/zinc/36/42/13/1321364213.db2.gz ZOXIXILSHPGJJF-LLVKDONJSA-N -1 3 327.344 2.375 20 5 EEBDHM C[C@H](O)C[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589998037 1349098382 /nfs/dbraw/zinc/09/83/82/1349098382.db2.gz OVRVJPXKFOSWFP-AAEUAGOBSA-N -1 3 346.391 2.295 20 5 EEBDHM C[C@H](O)C[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589998037 1349098385 /nfs/dbraw/zinc/09/83/85/1349098385.db2.gz OVRVJPXKFOSWFP-AAEUAGOBSA-N -1 3 346.391 2.295 20 5 EEBDHM C[C@]1([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC001308085353 1331563460 /nfs/dbraw/zinc/56/34/60/1331563460.db2.gz LLGYFAIYZNTTPD-BLLLJJGKSA-N -1 3 335.360 2.011 20 5 EEBDHM CCC[C@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309911920 1331647423 /nfs/dbraw/zinc/64/74/23/1331647423.db2.gz IDNNVWQJVLSWOM-JTQLQIEISA-N -1 3 336.797 2.078 20 5 EEBDHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001609202897 1351889453 /nfs/dbraw/zinc/88/94/53/1351889453.db2.gz RJQGUYCHSCNPKS-PHIMTYICSA-N -1 3 332.364 2.169 20 5 EEBDHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC001609202897 1351889456 /nfs/dbraw/zinc/88/94/56/1351889456.db2.gz RJQGUYCHSCNPKS-PHIMTYICSA-N -1 3 332.364 2.169 20 5 EEBDHM CO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C12CCC2 ZINC001609313932 1351930697 /nfs/dbraw/zinc/93/06/97/1351930697.db2.gz XWQWGOLHNBVSAZ-UONOGXRCSA-N -1 3 344.375 2.169 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC001609603527 1352032864 /nfs/dbraw/zinc/03/28/64/1352032864.db2.gz KQOPWMUQXNKTJS-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC001609603527 1352032869 /nfs/dbraw/zinc/03/28/69/1352032869.db2.gz KQOPWMUQXNKTJS-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM CC(C)CC1(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001100173961 1338108570 /nfs/dbraw/zinc/10/85/70/1338108570.db2.gz VMVCSMACEMFRLI-UHFFFAOYSA-N -1 3 336.392 2.074 20 5 EEBDHM C[C@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccn1 ZINC001575380205 1343784079 /nfs/dbraw/zinc/78/40/79/1343784079.db2.gz SKNMRJSXLPWADU-JTQLQIEISA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccn1 ZINC001575380205 1343784089 /nfs/dbraw/zinc/78/40/89/1343784089.db2.gz SKNMRJSXLPWADU-JTQLQIEISA-N -1 3 325.332 2.021 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1OCc2ccccc21 ZINC001582804264 1344793178 /nfs/dbraw/zinc/79/31/78/1344793178.db2.gz PARFQXHIAYCZEW-OAHLLOKOSA-N -1 3 338.327 2.458 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1OCc2ccccc21 ZINC001582804264 1344793181 /nfs/dbraw/zinc/79/31/81/1344793181.db2.gz PARFQXHIAYCZEW-OAHLLOKOSA-N -1 3 338.327 2.458 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001582804284 1344793258 /nfs/dbraw/zinc/79/32/58/1344793258.db2.gz PWUDLFVRBOWTMF-LBPRGKRZSA-N -1 3 340.318 2.493 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001582804284 1344793261 /nfs/dbraw/zinc/79/32/61/1344793261.db2.gz PWUDLFVRBOWTMF-LBPRGKRZSA-N -1 3 340.318 2.493 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001589105108 1348960812 /nfs/dbraw/zinc/96/08/12/1348960812.db2.gz PHAGLRICUAZVET-CQSZACIVSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCO1 ZINC001589517825 1348998926 /nfs/dbraw/zinc/99/89/26/1348998926.db2.gz OVMFXDKVBYLLFK-CQSZACIVSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCO1 ZINC001589517825 1348998927 /nfs/dbraw/zinc/99/89/27/1348998927.db2.gz OVMFXDKVBYLLFK-CQSZACIVSA-N -1 3 332.364 2.026 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591623339 1349518400 /nfs/dbraw/zinc/51/84/00/1349518400.db2.gz PTNXSMBFEVHQNY-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591623339 1349518401 /nfs/dbraw/zinc/51/84/01/1349518401.db2.gz PTNXSMBFEVHQNY-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM Cc1ccncc1[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001592277071 1349616545 /nfs/dbraw/zinc/61/65/45/1349616545.db2.gz GZBDUQWHNDJFOD-VIFPVBQESA-N -1 3 340.347 2.234 20 5 EEBDHM Cc1ccncc1[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001592277071 1349616546 /nfs/dbraw/zinc/61/65/46/1349616546.db2.gz GZBDUQWHNDJFOD-VIFPVBQESA-N -1 3 340.347 2.234 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1[C@H]1CCCOC1 ZINC001593469177 1349805332 /nfs/dbraw/zinc/80/53/32/1349805332.db2.gz ZKUXQTMVOMAGAN-QWHCGFSZSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1[C@H]1CCCOC1 ZINC001593469177 1349805333 /nfs/dbraw/zinc/80/53/33/1349805333.db2.gz ZKUXQTMVOMAGAN-QWHCGFSZSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCc3c(F)cccc3C2)ccc1-c1nnn[n-]1 ZINC001593470703 1349806392 /nfs/dbraw/zinc/80/63/92/1349806392.db2.gz HXYWGSZQJOFNEW-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCCc2ccccc2C1 ZINC001593471760 1349806907 /nfs/dbraw/zinc/80/69/07/1349806907.db2.gz YUERPJZTALZZDZ-UHFFFAOYSA-N -1 3 337.343 2.123 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCCc2ccccc2C1 ZINC001593471760 1349806908 /nfs/dbraw/zinc/80/69/08/1349806908.db2.gz YUERPJZTALZZDZ-UHFFFAOYSA-N -1 3 337.343 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Cc1cc(NCCc2cccc(O)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581029959 1344582950 /nfs/dbraw/zinc/58/29/50/1344582950.db2.gz GBDZQHVZFHJAOG-UHFFFAOYSA-N -1 3 340.343 2.444 20 5 EEBDHM Cc1cc(NCCc2cccc(O)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581029959 1344582952 /nfs/dbraw/zinc/58/29/52/1344582952.db2.gz GBDZQHVZFHJAOG-UHFFFAOYSA-N -1 3 340.343 2.444 20 5 EEBDHM CC(C)C[C@H]1COCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589572143 1349005522 /nfs/dbraw/zinc/00/55/22/1349005522.db2.gz AIIPATFSDHDDBS-LBPRGKRZSA-N -1 3 346.391 2.022 20 5 EEBDHM CC(C)C[C@H]1COCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589572143 1349005526 /nfs/dbraw/zinc/00/55/26/1349005526.db2.gz AIIPATFSDHDDBS-LBPRGKRZSA-N -1 3 346.391 2.022 20 5 EEBDHM CC1(C)CO[C@@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590111951 1349160022 /nfs/dbraw/zinc/16/00/22/1349160022.db2.gz VGNRYSGSBAFHCT-JTQLQIEISA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)CO[C@@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590111951 1349160031 /nfs/dbraw/zinc/16/00/31/1349160031.db2.gz VGNRYSGSBAFHCT-JTQLQIEISA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)OCC[C@@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590119387 1349162993 /nfs/dbraw/zinc/16/29/93/1349162993.db2.gz RJNPKQFYFSMGEU-MRVPVSSYSA-N -1 3 336.327 2.141 20 5 EEBDHM CC1(C)OCC[C@@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590119387 1349162997 /nfs/dbraw/zinc/16/29/97/1349162997.db2.gz RJNPKQFYFSMGEU-MRVPVSSYSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@@H]1C[C@H](C)N1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590191019 1349192409 /nfs/dbraw/zinc/19/24/09/1349192409.db2.gz OKOBMXMENHLRFY-DTORHVGOSA-N -1 3 325.332 2.310 20 5 EEBDHM C[C@@H]1C[C@H](C)N1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590191019 1349192415 /nfs/dbraw/zinc/19/24/15/1349192415.db2.gz OKOBMXMENHLRFY-DTORHVGOSA-N -1 3 325.332 2.310 20 5 EEBDHM COc1cc(C=O)ccc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591523608 1349499322 /nfs/dbraw/zinc/49/93/22/1349499322.db2.gz LPUZJMNRSXZISB-UHFFFAOYSA-N -1 3 341.283 2.388 20 5 EEBDHM COc1cc(C=O)ccc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591523608 1349499324 /nfs/dbraw/zinc/49/93/24/1349499324.db2.gz LPUZJMNRSXZISB-UHFFFAOYSA-N -1 3 341.283 2.388 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Nc1ccc2nccn2c1 ZINC001593466989 1349803711 /nfs/dbraw/zinc/80/37/11/1349803711.db2.gz JCVORNLLWKEOQM-UHFFFAOYSA-N -1 3 340.278 2.305 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nnn[n-]2)s1 ZINC001593470663 1349806225 /nfs/dbraw/zinc/80/62/25/1349806225.db2.gz GZJYPQLPBDHFQQ-UHFFFAOYSA-N -1 3 337.752 2.497 20 5 EEBDHM O=[N+]([O-])c1cc(N2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC001593470365 1349806440 /nfs/dbraw/zinc/80/64/40/1349806440.db2.gz CJPXOUNKSONIMI-DZGCQCFKSA-N -1 3 326.360 2.400 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1NCc1cncc(-c2nnn[n-]2)c1 ZINC001593473121 1349807119 /nfs/dbraw/zinc/80/71/19/1349807119.db2.gz LTNORHPGAHVBTO-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1NCc1cncc(-c2nn[n-]n2)c1 ZINC001593473121 1349807123 /nfs/dbraw/zinc/80/71/23/1349807123.db2.gz LTNORHPGAHVBTO-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1cnn2c1CCCC2 ZINC001593483323 1349813941 /nfs/dbraw/zinc/81/39/41/1349813941.db2.gz NUGGAQIKTSUZRA-UHFFFAOYSA-N -1 3 326.320 2.051 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1cnn2c1CCCC2 ZINC001593483323 1349813945 /nfs/dbraw/zinc/81/39/45/1349813945.db2.gz NUGGAQIKTSUZRA-UHFFFAOYSA-N -1 3 326.320 2.051 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCSCC(F)(F)F ZINC001593483163 1349814366 /nfs/dbraw/zinc/81/43/66/1349814366.db2.gz LSZYRPXWVIZVFG-UHFFFAOYSA-N -1 3 348.310 2.482 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCSCC(F)(F)F ZINC001593483163 1349814370 /nfs/dbraw/zinc/81/43/70/1349814370.db2.gz LSZYRPXWVIZVFG-UHFFFAOYSA-N -1 3 348.310 2.482 20 5 EEBDHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001605630500 1351205693 /nfs/dbraw/zinc/20/56/93/1351205693.db2.gz RENLVGKUEIRJJY-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001605630500 1351205695 /nfs/dbraw/zinc/20/56/95/1351205695.db2.gz RENLVGKUEIRJJY-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001606896868 1351371227 /nfs/dbraw/zinc/37/12/27/1351371227.db2.gz AQYKZMZANLFMCA-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001606896868 1351371232 /nfs/dbraw/zinc/37/12/32/1351371232.db2.gz AQYKZMZANLFMCA-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC23CCCC3)c(-c2nnn[n-]2)c1 ZINC001607082712 1351410860 /nfs/dbraw/zinc/41/08/60/1351410860.db2.gz TWUPLLFBRZNQDR-CYBMUJFWSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC23CCCC3)c(-c2nn[n-]n2)c1 ZINC001607082712 1351410861 /nfs/dbraw/zinc/41/08/61/1351410861.db2.gz TWUPLLFBRZNQDR-CYBMUJFWSA-N -1 3 330.348 2.289 20 5 EEBDHM CN(CCNC(=O)c1ccccc1[O-])Cc1cccc([N+](=O)[O-])c1 ZINC001753041629 1406627657 /nfs/dbraw/zinc/62/76/57/1406627657.db2.gz HVMKUVXMQJKOHG-UHFFFAOYSA-N -1 3 329.356 2.162 20 5 EEBDHM CCC(CC)C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112030934 765016467 /nfs/dbraw/zinc/01/64/67/765016467.db2.gz MCDPCNYRSBLNBK-UHFFFAOYSA-N -1 3 338.408 2.416 20 5 EEBDHM CCc1occc1C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105392690 781688564 /nfs/dbraw/zinc/68/85/64/781688564.db2.gz QMRWCPFPZPOHEW-UHFFFAOYSA-N -1 3 348.359 2.059 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C2CC2)CCC1 ZINC001107440618 787267101 /nfs/dbraw/zinc/26/71/01/787267101.db2.gz SBTQTTSQWWOQMI-OWOJBTEDSA-N -1 3 346.387 2.360 20 5 EEBDHM CCCC(=O)NCc1nc(CNc2ccc([N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC001091711296 792349256 /nfs/dbraw/zinc/34/92/56/792349256.db2.gz VWCZPBISHWCLOR-UHFFFAOYSA-N -1 3 345.359 2.119 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001106656672 796059929 /nfs/dbraw/zinc/05/99/29/796059929.db2.gz OQSHDCQOHPTASD-UHFFFAOYSA-N -1 3 348.334 2.409 20 5 EEBDHM Cc1cscc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094361508 796160623 /nfs/dbraw/zinc/16/06/23/796160623.db2.gz KQYAGAZEZBUBCF-UHFFFAOYSA-N -1 3 336.373 2.297 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000804601508 810953999 /nfs/dbraw/zinc/95/39/99/810953999.db2.gz NXBUHMSSRRNJCH-ZROIWOOFSA-N -1 3 338.323 2.131 20 5 EEBDHM O=C([O-])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001574776664 957764483 /nfs/dbraw/zinc/76/44/83/957764483.db2.gz HIPMTRBGMADLBW-QWHCGFSZSA-N -1 3 335.316 2.046 20 5 EEBDHM CC(C)C[C@@H]1CN(C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000903943281 981067630 /nfs/dbraw/zinc/06/76/30/981067630.db2.gz HRJWNPNRRPDNGE-OAHLLOKOSA-N -1 3 335.404 2.455 20 5 EEBDHM C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]1(C)C(=O)[O-] ZINC001599931313 985319893 /nfs/dbraw/zinc/31/98/93/985319893.db2.gz CBAJIYDSBJWMMZ-QFYYESIMSA-N -1 3 346.343 2.187 20 5 EEBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000490578022 282120379 /nfs/dbraw/zinc/12/03/79/282120379.db2.gz IOAVOACLWFNDPX-UHFFFAOYSA-N -1 3 330.406 2.387 20 5 EEBDHM C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295757003 201350728 /nfs/dbraw/zinc/35/07/28/201350728.db2.gz OUVHTNFVYULCKN-SECBINFHSA-N -1 3 336.797 2.078 20 5 EEBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000076298397 203346865 /nfs/dbraw/zinc/34/68/65/203346865.db2.gz RBTVDISADZTGOS-GFCCVEGCSA-N -1 3 330.406 2.387 20 5 EEBDHM O=C([N-]c1cc2c(cc1Cl)NC(=O)CO2)c1ccc([N+](=O)[O-])o1 ZINC000033193741 284284562 /nfs/dbraw/zinc/28/45/62/284284562.db2.gz IYXNUHKBJJGECK-UHFFFAOYSA-N -1 3 337.675 2.424 20 5 EEBDHM CCc1cc(=O)[n-]c(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000268591476 252048973 /nfs/dbraw/zinc/04/89/73/252048973.db2.gz MYRJCGYMEAUQTD-UHFFFAOYSA-N -1 3 348.384 2.185 20 5 EEBDHM CCOC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000188379447 286169077 /nfs/dbraw/zinc/16/90/77/286169077.db2.gz XWBFFAIYQJPGKZ-LBPRGKRZSA-N -1 3 330.406 2.243 20 5 EEBDHM Cc1ccc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000120519987 292254909 /nfs/dbraw/zinc/25/49/09/292254909.db2.gz FZXMEEKMHCWGCE-UHFFFAOYSA-N -1 3 349.412 2.436 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104365262 159285910 /nfs/dbraw/zinc/28/59/10/159285910.db2.gz BMSPTHCPAZLBHF-XCVCLJGOSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104365262 159285911 /nfs/dbraw/zinc/28/59/11/159285911.db2.gz BMSPTHCPAZLBHF-XCVCLJGOSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(Nc1cccc(-n2ccnc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187556372 160105030 /nfs/dbraw/zinc/10/50/30/160105030.db2.gz BHJGEBYXJPCDGO-UHFFFAOYSA-N -1 3 325.284 2.133 20 5 EEBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342504283 161070372 /nfs/dbraw/zinc/07/03/72/161070372.db2.gz CWYAMZVISSOPEN-PSASIEDQSA-N -1 3 336.435 2.040 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000342667602 161081758 /nfs/dbraw/zinc/08/17/58/161081758.db2.gz DTWRVIMFWAFAQK-MRVPVSSYSA-N -1 3 327.387 2.399 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000343967767 161185362 /nfs/dbraw/zinc/18/53/62/161185362.db2.gz GJRYEIWDOIHEQW-LLVKDONJSA-N -1 3 346.430 2.167 20 5 EEBDHM Cc1nc(C)c(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(=O)[n-]1 ZINC000345697864 161323752 /nfs/dbraw/zinc/32/37/52/161323752.db2.gz FTOBPMHOPYTCFV-UHFFFAOYSA-N -1 3 327.300 2.348 20 5 EEBDHM CCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000352500631 162159974 /nfs/dbraw/zinc/15/99/74/162159974.db2.gz PUQOZSSLTLTJKJ-CYBMUJFWSA-N -1 3 341.433 2.056 20 5 EEBDHM Cc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])n[nH]3)n2)s1 ZINC000352584757 162199475 /nfs/dbraw/zinc/19/94/75/162199475.db2.gz VMHJJAPZHREWHB-UHFFFAOYSA-N -1 3 336.358 2.459 20 5 EEBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1O ZINC000359083246 164054136 /nfs/dbraw/zinc/05/41/36/164054136.db2.gz HULCAURLDCJOFR-UHFFFAOYSA-N -1 3 328.284 2.438 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@]2(C)CCCOC2)c1[N+](=O)[O-] ZINC000360006277 164213743 /nfs/dbraw/zinc/21/37/43/164213743.db2.gz IXVNLXSFQIZWMA-AWEZNQCLSA-N -1 3 328.390 2.059 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000157826147 292573844 /nfs/dbraw/zinc/57/38/44/292573844.db2.gz RQMKQVOTVXNELG-VXGBXAGGSA-N -1 3 348.808 2.484 20 5 EEBDHM O=c1[n-]cnc2c1CN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000278307647 269222575 /nfs/dbraw/zinc/22/25/75/269222575.db2.gz GZXNXKIKLRGBDF-UHFFFAOYSA-N -1 3 341.249 2.067 20 5 EEBDHM C[C@@H](C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237508438 278217307 /nfs/dbraw/zinc/21/73/07/278217307.db2.gz KVOQCMOUOJAZEO-VIFPVBQESA-N -1 3 347.293 2.209 20 5 EEBDHM CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179437936 289171824 /nfs/dbraw/zinc/17/18/24/289171824.db2.gz NWVBPLCYJNLIPC-UHFFFAOYSA-N -1 3 345.355 2.493 20 5 EEBDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360010773 294525875 /nfs/dbraw/zinc/52/58/75/294525875.db2.gz JOEFGKOWDKXVFS-OLZOCXBDSA-N -1 3 342.417 2.305 20 5 EEBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000416633362 313280568 /nfs/dbraw/zinc/28/05/68/313280568.db2.gz OZSOGUOSOYETFS-UHFFFAOYSA-N -1 3 335.385 2.246 20 5 EEBDHM O=C([N-]c1nc2ccccn2n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000537306976 448555449 /nfs/dbraw/zinc/55/54/49/448555449.db2.gz GCQCRAFSWYCFIJ-UHFFFAOYSA-N -1 3 334.295 2.438 20 5 EEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000184831208 465028360 /nfs/dbraw/zinc/02/83/60/465028360.db2.gz OVAKERGMMPUZIN-ZDUSSCGKSA-N -1 3 342.417 2.360 20 5 EEBDHM Cc1c(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000119082362 462873410 /nfs/dbraw/zinc/87/34/10/462873410.db2.gz ZKRHHXDBGISTIN-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000119082362 462873414 /nfs/dbraw/zinc/87/34/14/462873414.db2.gz ZKRHHXDBGISTIN-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000021832299 463041045 /nfs/dbraw/zinc/04/10/45/463041045.db2.gz PURNUTPKZKEAQN-UHFFFAOYSA-N -1 3 338.316 2.390 20 5 EEBDHM Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000120976934 463060643 /nfs/dbraw/zinc/06/06/43/463060643.db2.gz BZDCXHGVIZZWGU-UHFFFAOYSA-N -1 3 347.302 2.003 20 5 EEBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000160238595 463323338 /nfs/dbraw/zinc/32/33/38/463323338.db2.gz NPIZOWDFHKRQLK-CQSZACIVSA-N -1 3 333.388 2.391 20 5 EEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124384546 463416012 /nfs/dbraw/zinc/41/60/12/463416012.db2.gz MPJNOFJBZPYAJZ-LLVKDONJSA-N -1 3 336.435 2.040 20 5 EEBDHM O=C(Nc1ncccc1[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033221352 463418557 /nfs/dbraw/zinc/41/85/57/463418557.db2.gz MXQLVLGCWBPOKJ-UHFFFAOYSA-N -1 3 325.284 2.133 20 5 EEBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCC1 ZINC000125560874 463556046 /nfs/dbraw/zinc/55/60/46/463556046.db2.gz JTLYFTMDFGVRKV-UHFFFAOYSA-N -1 3 348.446 2.450 20 5 EEBDHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000044331913 463675665 /nfs/dbraw/zinc/67/56/65/463675665.db2.gz ADJHJGXMBLSNHA-UHFFFAOYSA-N -1 3 344.345 2.451 20 5 EEBDHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000177536689 463730980 /nfs/dbraw/zinc/73/09/80/463730980.db2.gz BPEJADCUWRJRIL-UHFFFAOYSA-N -1 3 328.371 2.143 20 5 EEBDHM O=C(Nc1cc(-c2cccs2)[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171189518 463807745 /nfs/dbraw/zinc/80/77/45/463807745.db2.gz XNPXKNFTARZPLP-UHFFFAOYSA-N -1 3 331.313 2.399 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccn2ccnc2c1 ZINC000178403408 463895072 /nfs/dbraw/zinc/89/50/72/463895072.db2.gz FLOUOGDYPLSRRK-UHFFFAOYSA-N -1 3 346.368 2.029 20 5 EEBDHM C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2c([O-])cccc21 ZINC000186318693 463974880 /nfs/dbraw/zinc/97/48/80/463974880.db2.gz DFHWOSKZHHVOES-LLVKDONJSA-N -1 3 343.339 2.003 20 5 EEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000186686390 464050030 /nfs/dbraw/zinc/05/00/30/464050030.db2.gz FMSOGUVBJYVHEY-VIFPVBQESA-N -1 3 327.387 2.133 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])n[n-]1 ZINC000239637119 464444243 /nfs/dbraw/zinc/44/42/43/464444243.db2.gz BIXSRLDZEAUBTP-UHFFFAOYSA-N -1 3 348.315 2.146 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])[n-]n1 ZINC000239637119 464444244 /nfs/dbraw/zinc/44/42/44/464444244.db2.gz BIXSRLDZEAUBTP-UHFFFAOYSA-N -1 3 348.315 2.146 20 5 EEBDHM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295669852 464923450 /nfs/dbraw/zinc/92/34/50/464923450.db2.gz UFOCDUQFEOHJTJ-LLVKDONJSA-N -1 3 329.312 2.452 20 5 EEBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000337774749 465571806 /nfs/dbraw/zinc/57/18/06/465571806.db2.gz GXILFPFIYSEMOE-UHFFFAOYSA-N -1 3 336.369 2.390 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]CCCOCC(C)C)c([N+](=O)[O-])c1 ZINC000337840577 465620437 /nfs/dbraw/zinc/62/04/37/465620437.db2.gz LURHFUMTLRKMCZ-UHFFFAOYSA-N -1 3 330.406 2.244 20 5 EEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330617622 465734162 /nfs/dbraw/zinc/73/41/62/465734162.db2.gz WQWBNNBPEWNPHQ-WPRPVWTQSA-N -1 3 334.781 2.094 20 5 EEBDHM C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346261275 466038276 /nfs/dbraw/zinc/03/82/76/466038276.db2.gz MNALXHQGHPOPNH-MQIPJXDCSA-N -1 3 333.388 2.103 20 5 EEBDHM C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331868387 466283587 /nfs/dbraw/zinc/28/35/87/466283587.db2.gz GJJPZQKAQKNZRN-PVAVHDDUSA-N -1 3 336.388 2.052 20 5 EEBDHM Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1[O-] ZINC000354385411 466525077 /nfs/dbraw/zinc/52/50/77/466525077.db2.gz IHMXHTZTEQIEKG-ZDUSSCGKSA-N -1 3 342.355 2.330 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c1C 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3 339.373 2.241 20 5 EEBDHM O=[N+]([O-])c1ccc([N-]c2ccn(CCO)n2)nc1-c1ccc(F)cc1 ZINC000572668851 468969225 /nfs/dbraw/zinc/96/92/25/468969225.db2.gz BZMMMEGLEKOXHA-UHFFFAOYSA-N -1 3 343.318 2.728 20 5 EEBDHM C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]1(C)C(=O)[O-] ZINC000593754276 469124855 /nfs/dbraw/zinc/12/48/55/469124855.db2.gz UEBMYBBIPNTSAY-HWPZZCPQSA-N -1 3 346.343 2.187 20 5 EEBDHM O=C([O-])c1cnccc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000563205820 469198168 /nfs/dbraw/zinc/19/81/68/469198168.db2.gz CRWDMKVZUHRQKT-UHFFFAOYSA-N -1 3 328.328 2.015 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](c2ccco2)C1 ZINC000738357510 578010542 /nfs/dbraw/zinc/01/05/42/578010542.db2.gz DZHCIGDSVPPVSP-NSHDSACASA-N -1 3 326.316 2.362 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccco2)C1 ZINC000738357510 578010543 /nfs/dbraw/zinc/01/05/43/578010543.db2.gz DZHCIGDSVPPVSP-NSHDSACASA-N -1 3 326.316 2.362 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccno2)cc1[N+](=O)[O-] ZINC000758539071 577626552 /nfs/dbraw/zinc/62/65/52/577626552.db2.gz MKEQFHDPLBRUGY-UHFFFAOYSA-N -1 3 331.737 2.023 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821956029 607385619 /nfs/dbraw/zinc/38/56/19/607385619.db2.gz FUCCBEMYDDMGJY-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821956029 607385621 /nfs/dbraw/zinc/38/56/21/607385621.db2.gz FUCCBEMYDDMGJY-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826203942 607559810 /nfs/dbraw/zinc/55/98/10/607559810.db2.gz NOVGPXBDVKEDQT-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826203942 607559811 /nfs/dbraw/zinc/55/98/11/607559811.db2.gz NOVGPXBDVKEDQT-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508071 606358360 /nfs/dbraw/zinc/35/83/60/606358360.db2.gz LYAFTRKDPKYNQC-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508071 606358363 /nfs/dbraw/zinc/35/83/63/606358363.db2.gz LYAFTRKDPKYNQC-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822270867 606463621 /nfs/dbraw/zinc/46/36/21/606463621.db2.gz AZWLQWTXHBJVFX-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822270867 606463622 /nfs/dbraw/zinc/46/36/22/606463622.db2.gz AZWLQWTXHBJVFX-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823644763 606926858 /nfs/dbraw/zinc/92/68/58/606926858.db2.gz MGVBFRLPBYXDDO-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823644763 606926859 /nfs/dbraw/zinc/92/68/59/606926859.db2.gz MGVBFRLPBYXDDO-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM Cc1cccc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822289382 607127687 /nfs/dbraw/zinc/12/76/87/607127687.db2.gz WMDKXRFKYORRJQ-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822289382 607127688 /nfs/dbraw/zinc/12/76/88/607127688.db2.gz WMDKXRFKYORRJQ-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccccc1[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826305674 607876586 /nfs/dbraw/zinc/87/65/86/607876586.db2.gz FCCHGTSMBURLGP-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1ccccc1[C@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826305674 607876587 /nfs/dbraw/zinc/87/65/87/607876587.db2.gz FCCHGTSMBURLGP-CQSZACIVSA-N -1 3 341.327 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1cnccc1-c1nnn[n-]1 ZINC000826497367 609321844 /nfs/dbraw/zinc/32/18/44/609321844.db2.gz FDRMLHUZKPFGDA-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1cnccc1-c1nn[n-]n1 ZINC000826497367 609321846 /nfs/dbraw/zinc/32/18/46/609321846.db2.gz FDRMLHUZKPFGDA-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM CC[C@@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000894406709 682845115 /nfs/dbraw/zinc/84/51/15/682845115.db2.gz HVBKCQFTSQPVGF-FNIMQGLVSA-N -1 3 342.417 2.040 20 5 EEBDHM COc1c([O-])ccc(CN2C[C@@H](CO)Cc3ccccc32)c1[N+](=O)[O-] ZINC000894580051 682980115 /nfs/dbraw/zinc/98/01/15/682980115.db2.gz ICWYVEVIQSHREM-LBPRGKRZSA-N -1 3 344.367 2.480 20 5 EEBDHM COc1c([O-])ccc(CN2C[C@@H](CO)c3ccccc32)c1[N+](=O)[O-] ZINC000894613047 682995250 /nfs/dbraw/zinc/99/52/50/682995250.db2.gz QQSYGYPCKQIZDH-LBPRGKRZSA-N -1 3 330.340 2.405 20 5 EEBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1cccs1 ZINC001059556176 687073524 /nfs/dbraw/zinc/07/35/24/687073524.db2.gz KVQFQXCXPZYIRK-DTORHVGOSA-N -1 3 334.357 2.130 20 5 EEBDHM CCOc1cc(COC(=O)c2c[n-]c(C(=O)OC)c2)ccc1[N+](=O)[O-] ZINC000814532328 1199564690 /nfs/dbraw/zinc/56/46/90/1199564690.db2.gz SAQNFXNHVRTHOR-UHFFFAOYSA-N -1 3 348.311 2.465 20 5 EEBDHM CCC1(C(=O)NCC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001095381220 1204524812 /nfs/dbraw/zinc/52/48/12/1204524812.db2.gz XEKRSLDMNUCLMS-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM Cc1ccc(C(=O)NCCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001095546373 1205867567 /nfs/dbraw/zinc/86/75/67/1205867567.db2.gz WFGGEOCITROOGH-UHFFFAOYSA-N -1 3 344.371 2.260 20 5 EEBDHM CCN(CCCNC(=O)C1CC2(CC2)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095969896 1232718039 /nfs/dbraw/zinc/71/80/39/1232718039.db2.gz QZKNOAXGDXSIMA-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM CC1(C)CC(C(=O)NC[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001046804946 1235204258 /nfs/dbraw/zinc/20/42/58/1235204258.db2.gz CTSIYBNZXHZDMU-UMSPYCQHSA-N -1 3 348.403 2.438 20 5 EEBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853412799 1292375478 /nfs/dbraw/zinc/37/54/78/1292375478.db2.gz HZMFLSSIFBXZGO-SNVBAGLBSA-N -1 3 338.364 2.141 20 5 EEBDHM CCOC(=O)C[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F 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WAAZYLSUCSJFEY-NWDGAFQWSA-N -1 3 347.379 2.176 20 5 EEBDHM CC(C)C[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001609093904 1351839998 /nfs/dbraw/zinc/83/99/98/1351839998.db2.gz WAAZYLSUCSJFEY-NWDGAFQWSA-N -1 3 347.379 2.176 20 5 EEBDHM COCC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001609319643 1351932067 /nfs/dbraw/zinc/93/20/67/1351932067.db2.gz VUMPYRKMXNLWHF-UHFFFAOYSA-N -1 3 332.364 2.312 20 5 EEBDHM COCC1(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001609319643 1351932073 /nfs/dbraw/zinc/93/20/73/1351932073.db2.gz VUMPYRKMXNLWHF-UHFFFAOYSA-N -1 3 332.364 2.312 20 5 EEBDHM CS[C@H]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609369830 1351948669 /nfs/dbraw/zinc/94/86/69/1351948669.db2.gz NHBQXBKNANKPRA-ONGXEEELSA-N -1 3 334.405 2.495 20 5 EEBDHM CS[C@H]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609369830 1351948672 /nfs/dbraw/zinc/94/86/72/1351948672.db2.gz NHBQXBKNANKPRA-ONGXEEELSA-N -1 3 334.405 2.495 20 5 EEBDHM Cc1ccncc1CN(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609439052 1351977834 /nfs/dbraw/zinc/97/78/34/1351977834.db2.gz FWLMNFDGMBGEHS-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM Cc1ccncc1CN(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609439052 1351977835 /nfs/dbraw/zinc/97/78/35/1351977835.db2.gz FWLMNFDGMBGEHS-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001609565778 1352018722 /nfs/dbraw/zinc/01/87/22/1352018722.db2.gz FGRSFBQONNKODY-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001609565778 1352018727 /nfs/dbraw/zinc/01/87/27/1352018727.db2.gz FGRSFBQONNKODY-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001609576075 1352022758 /nfs/dbraw/zinc/02/27/58/1352022758.db2.gz YRNPYRBIWJKWBS-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001609576075 1352022760 /nfs/dbraw/zinc/02/27/60/1352022760.db2.gz YRNPYRBIWJKWBS-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610017984 1352142000 /nfs/dbraw/zinc/14/20/00/1352142000.db2.gz IAORISAAYFPPKZ-OLZOCXBDSA-N -1 3 336.344 2.114 20 5 EEBDHM CC(=O)c1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588917151 1348947345 /nfs/dbraw/zinc/94/73/45/1348947345.db2.gz DXOCBNHNKFOEJG-UHFFFAOYSA-N -1 3 326.272 2.165 20 5 EEBDHM CC(=O)c1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588917151 1348947347 /nfs/dbraw/zinc/94/73/47/1348947347.db2.gz DXOCBNHNKFOEJG-UHFFFAOYSA-N -1 3 326.272 2.165 20 5 EEBDHM CC(C)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001589500092 1348997062 /nfs/dbraw/zinc/99/70/62/1348997062.db2.gz HAFRALIMIQARNS-GXFFZTMASA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001589500092 1348997067 /nfs/dbraw/zinc/99/70/67/1348997067.db2.gz HAFRALIMIQARNS-GXFFZTMASA-N 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CN(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001590994809 1349428913 /nfs/dbraw/zinc/42/89/13/1349428913.db2.gz YRWGTWSXSWXMFH-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM COc1ccc(Oc2cc(-c3nnn[n-]3)cc(C)n2)c([N+](=O)[O-])c1 ZINC001591621169 1349517080 /nfs/dbraw/zinc/51/70/80/1349517080.db2.gz IZYZQJRARFYPNA-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1ccc(Oc2cc(-c3nn[n-]n3)cc(C)n2)c([N+](=O)[O-])c1 ZINC001591621169 1349517086 /nfs/dbraw/zinc/51/70/86/1349517086.db2.gz IZYZQJRARFYPNA-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1ccccc1CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591652769 1349525509 /nfs/dbraw/zinc/52/55/09/1349525509.db2.gz FRAGSAQOUPUXGY-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1ccccc1CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591652769 1349525517 /nfs/dbraw/zinc/52/55/17/1349525517.db2.gz FRAGSAQOUPUXGY-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043461 1349587573 /nfs/dbraw/zinc/58/75/73/1349587573.db2.gz GPWYGMNPSHAVBZ-VWYCJHECSA-N -1 3 332.364 2.309 20 5 EEBDHM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043461 1349587576 /nfs/dbraw/zinc/58/75/76/1349587576.db2.gz GPWYGMNPSHAVBZ-VWYCJHECSA-N -1 3 332.364 2.309 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592197480 1349603883 /nfs/dbraw/zinc/60/38/83/1349603883.db2.gz LSKNPSBGAXTDIL-LLVKDONJSA-N -1 3 339.359 2.329 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592197480 1349603891 /nfs/dbraw/zinc/60/38/91/1349603891.db2.gz LSKNPSBGAXTDIL-LLVKDONJSA-N -1 3 339.359 2.329 20 5 EEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1csc([N+](=O)[O-])c1 ZINC001593300823 1349772882 /nfs/dbraw/zinc/77/28/82/1349772882.db2.gz GCADARALKCMPAY-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC001593300823 1349772883 /nfs/dbraw/zinc/77/28/83/1349772883.db2.gz GCADARALKCMPAY-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1S[C@@H]1CCCOC1 ZINC001593467450 1349803799 /nfs/dbraw/zinc/80/37/99/1349803799.db2.gz QZYYNEWRWVAJHH-SSDOTTSWSA-N -1 3 325.325 2.185 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCSC2(CCC2)C1 ZINC001593470057 1349806278 /nfs/dbraw/zinc/80/62/78/1349806278.db2.gz DVFCXHRIYUJRCF-SNVBAGLBSA-N -1 3 347.404 2.400 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCSC2(CCC2)C1 ZINC001593470057 1349806282 /nfs/dbraw/zinc/80/62/82/1349806282.db2.gz DVFCXHRIYUJRCF-SNVBAGLBSA-N -1 3 347.404 2.400 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@@H]1CC1(Cl)Cl ZINC001593472322 1349807158 /nfs/dbraw/zinc/80/71/58/1349807158.db2.gz YPDRRMCPLPEVOX-SSDOTTSWSA-N -1 3 344.162 2.166 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@@H]1CC1(Cl)Cl ZINC001593472322 1349807165 /nfs/dbraw/zinc/80/71/65/1349807165.db2.gz YPDRRMCPLPEVOX-SSDOTTSWSA-N -1 3 344.162 2.166 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2cccc(F)c2C1 ZINC001593474402 1349808506 /nfs/dbraw/zinc/80/85/06/1349808506.db2.gz HUXXQRKLSVIXDM-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2cccc(F)c2C1 ZINC001593474402 1349808509 /nfs/dbraw/zinc/80/85/09/1349808509.db2.gz HUXXQRKLSVIXDM-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM C[C@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603890928 1350795033 /nfs/dbraw/zinc/79/50/33/1350795033.db2.gz ORFQKPSQYFJXBV-GXFFZTMASA-N -1 3 347.379 2.177 20 5 EEBDHM C[C@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603890928 1350795034 /nfs/dbraw/zinc/79/50/34/1350795034.db2.gz ORFQKPSQYFJXBV-GXFFZTMASA-N -1 3 347.379 2.177 20 5 EEBDHM CCC1(O)CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001604092526 1350853636 /nfs/dbraw/zinc/85/36/36/1350853636.db2.gz LTGYDPKUQOJILJ-UHFFFAOYSA-N -1 3 332.364 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1Cc2ccccc2C1 ZINC001607077037 1351407198 /nfs/dbraw/zinc/40/71/98/1351407198.db2.gz GHJRYEYLSDSLRO-UHFFFAOYSA-N -1 3 326.291 2.434 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1Cc2ccccc2C1 ZINC001607077037 1351407199 /nfs/dbraw/zinc/40/71/99/1351407199.db2.gz GHJRYEYLSDSLRO-UHFFFAOYSA-N -1 3 326.291 2.434 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCOC3(CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC001607078830 1351408386 /nfs/dbraw/zinc/40/83/86/1351408386.db2.gz PBCMIMNCNVXVPE-UHFFFAOYSA-N -1 3 344.375 2.314 20 5 EEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1 ZINC001607085707 1351411766 /nfs/dbraw/zinc/41/17/66/1351411766.db2.gz ZKTFLXAAMGVGJG-UHFFFAOYSA-N -1 3 328.244 2.475 20 5 EEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001607085707 1351411767 /nfs/dbraw/zinc/41/17/67/1351411767.db2.gz ZKTFLXAAMGVGJG-UHFFFAOYSA-N -1 3 328.244 2.475 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001607086900 1351412762 /nfs/dbraw/zinc/41/27/62/1351412762.db2.gz UGSYSGSOPRTXRW-JQWIXIFHSA-N -1 3 329.364 2.408 20 5 EEBDHM 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1349095192 /nfs/dbraw/zinc/09/51/92/1349095192.db2.gz NWHAADLZTOZSOY-AWEZNQCLSA-N -1 3 346.372 2.156 20 5 EEBDHM CCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCOCC1 ZINC001590496908 1349355521 /nfs/dbraw/zinc/35/55/21/1349355521.db2.gz WRHSKAHDEAGBBJ-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM CCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCOCC1 ZINC001590496908 1349355528 /nfs/dbraw/zinc/35/55/28/1349355528.db2.gz WRHSKAHDEAGBBJ-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM CCc1nc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cs1 ZINC001590914356 1349409678 /nfs/dbraw/zinc/40/96/78/1349409678.db2.gz NUBHNNHIYSGBID-UHFFFAOYSA-N -1 3 345.388 2.448 20 5 EEBDHM CCc1nc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cs1 ZINC001590914356 1349409684 /nfs/dbraw/zinc/40/96/84/1349409684.db2.gz NUBHNNHIYSGBID-UHFFFAOYSA-N -1 3 345.388 2.448 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001592071008 1349589391 /nfs/dbraw/zinc/58/93/91/1349589391.db2.gz YJDSEHJJEFOXJY-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001592071008 1349589394 /nfs/dbraw/zinc/58/93/94/1349589394.db2.gz YJDSEHJJEFOXJY-UHFFFAOYSA-N -1 3 331.361 2.176 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@H]2CCCS2)c1-c1nnn[n-]1 ZINC001592758327 1349714110 /nfs/dbraw/zinc/71/41/10/1349714110.db2.gz UIEBMTFMSUEVLG-MRVPVSSYSA-N -1 3 335.393 2.055 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@H]2CCCS2)c1-c1nn[n-]n1 ZINC001592758327 1349714115 /nfs/dbraw/zinc/71/41/15/1349714115.db2.gz UIEBMTFMSUEVLG-MRVPVSSYSA-N -1 3 335.393 2.055 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Nc1cnn(C(F)F)c1 ZINC001593468034 1349804679 /nfs/dbraw/zinc/80/46/79/1349804679.db2.gz YBHYLUSUUGFYQD-UHFFFAOYSA-N -1 3 340.225 2.249 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Nc1cnn(C(F)F)c1 ZINC001593468034 1349804680 /nfs/dbraw/zinc/80/46/80/1349804680.db2.gz YBHYLUSUUGFYQD-UHFFFAOYSA-N -1 3 340.225 2.249 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1ccccc1Cl ZINC001593470633 1349805620 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EEBDHM O=[N+]([O-])c1cc(N2CCC([C@@H]3CCOC3)CC2)ccc1-c1nnn[n-]1 ZINC001593472138 1349806995 /nfs/dbraw/zinc/80/69/95/1349806995.db2.gz WADDROMLPPLYCU-GFCCVEGCSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1CN1CCc2c1cccc2-c1nnn[n-]1 ZINC001593471252 1349807104 /nfs/dbraw/zinc/80/71/04/1349807104.db2.gz MSHCJLMDHBXHHB-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1CN1CCc2c1cccc2-c1nn[n-]n1 ZINC001593471252 1349807110 /nfs/dbraw/zinc/80/71/10/1349807110.db2.gz MSHCJLMDHBXHHB-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cc(NCCCO[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593474011 1349807806 /nfs/dbraw/zinc/80/78/06/1349807806.db2.gz NNXJSILPAWGZLB-CQSZACIVSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2ccccc2CC1 ZINC001593474405 1349808624 /nfs/dbraw/zinc/80/86/24/1349808624.db2.gz HXILMGPCVAXZRV-UHFFFAOYSA-N -1 3 336.355 2.380 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2ccccc2CC1 ZINC001593474405 1349808628 /nfs/dbraw/zinc/80/86/28/1349808628.db2.gz HXILMGPCVAXZRV-UHFFFAOYSA-N -1 3 336.355 2.380 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCc3cccnc32)c(-c2nnn[n-]2)c1 ZINC001593477989 1349810097 /nfs/dbraw/zinc/81/00/97/1349810097.db2.gz NPKNSGIUEDIHGK-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCc3cccnc32)c(-c2nn[n-]n2)c1 ZINC001593477989 1349810101 /nfs/dbraw/zinc/81/01/01/1349810101.db2.gz NPKNSGIUEDIHGK-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H]2Cc3cccc(O)c3C2)c(-c2nnn[n-]2)c1 ZINC001593478222 1349810790 /nfs/dbraw/zinc/81/07/90/1349810790.db2.gz RLRDJUPOACEXLF-JTQLQIEISA-N -1 3 338.327 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H]2Cc3cccc(O)c3C2)c(-c2nn[n-]n2)c1 ZINC001593478222 1349810794 /nfs/dbraw/zinc/81/07/94/1349810794.db2.gz RLRDJUPOACEXLF-JTQLQIEISA-N -1 3 338.327 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1(O)CCCCCC1 ZINC001593479902 1349811559 /nfs/dbraw/zinc/81/15/59/1349811559.db2.gz CCEVKBBZFSAUAT-UHFFFAOYSA-N -1 3 332.364 2.272 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1(O)CCCCCC1 ZINC001593479902 1349811565 /nfs/dbraw/zinc/81/15/65/1349811565.db2.gz CCEVKBBZFSAUAT-UHFFFAOYSA-N -1 3 332.364 2.272 20 5 EEBDHM O=[N+]([O-])c1ncccc1CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001593486904 1349815140 /nfs/dbraw/zinc/81/51/40/1349815140.db2.gz CLXFELBYCDIQAD-UHFFFAOYSA-N -1 3 337.343 2.123 20 5 EEBDHM O=[N+]([O-])c1ncccc1CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001593486904 1349815141 /nfs/dbraw/zinc/81/51/41/1349815141.db2.gz CLXFELBYCDIQAD-UHFFFAOYSA-N -1 3 337.343 2.123 20 5 EEBDHM Cc1nn(CN2CCC[C@@](C)(C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC001600787539 1350137390 /nfs/dbraw/zinc/13/73/90/1350137390.db2.gz IAWAMVVRBSHYOX-MRXNPFEDSA-N -1 3 332.360 2.397 20 5 EEBDHM CC(C)(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001603067923 1350631553 /nfs/dbraw/zinc/63/15/53/1350631553.db2.gz UITXYYLQHOIZRU-ZDUSSCGKSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001603067923 1350631557 /nfs/dbraw/zinc/63/15/57/1350631557.db2.gz UITXYYLQHOIZRU-ZDUSSCGKSA-N -1 3 332.364 2.026 20 5 EEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC001604828134 1351017067 /nfs/dbraw/zinc/01/70/67/1351017067.db2.gz JRWOPPYQWBUXMH-LLVKDONJSA-N -1 3 334.380 2.008 20 5 EEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC001604828134 1351017070 /nfs/dbraw/zinc/01/70/70/1351017070.db2.gz JRWOPPYQWBUXMH-LLVKDONJSA-N -1 3 334.380 2.008 20 5 EEBDHM COc1ccc(OC(=O)c2cscc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605303781 1351130899 /nfs/dbraw/zinc/13/08/99/1351130899.db2.gz WACOGSVRYKVCEY-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1ccc(OC(=O)c2cscc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605303781 1351130901 /nfs/dbraw/zinc/13/09/01/1351130901.db2.gz WACOGSVRYKVCEY-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM Nc1c(F)c(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001606451507 1351304525 /nfs/dbraw/zinc/30/45/25/1351304525.db2.gz MHPCFPCJFWDFNS-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM Nc1c(F)c(NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001606451507 1351304528 /nfs/dbraw/zinc/30/45/28/1351304528.db2.gz MHPCFPCJFWDFNS-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM O=C(COc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001606571840 1351324370 /nfs/dbraw/zinc/32/43/70/1351324370.db2.gz BLWPETJIUSOZQZ-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=C(COc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001606571840 1351324373 /nfs/dbraw/zinc/32/43/73/1351324373.db2.gz BLWPETJIUSOZQZ-UHFFFAOYSA-N -1 3 343.274 2.176 20 5 EEBDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607053247 1351404507 /nfs/dbraw/zinc/40/45/07/1351404507.db2.gz UJPHKYCKGPZYKC-QPEQYQDCSA-N -1 3 334.295 2.268 20 5 EEBDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607053247 1351404510 /nfs/dbraw/zinc/40/45/10/1351404510.db2.gz UJPHKYCKGPZYKC-QPEQYQDCSA-N -1 3 334.295 2.268 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC1SCCS1 ZINC001607084344 1351411307 /nfs/dbraw/zinc/41/13/07/1351411307.db2.gz ACCOTKDLTMQEIO-UHFFFAOYSA-N -1 3 338.418 2.383 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC1SCCS1 ZINC001607084344 1351411309 /nfs/dbraw/zinc/41/13/09/1351411309.db2.gz ACCOTKDLTMQEIO-UHFFFAOYSA-N -1 3 338.418 2.383 20 5 EEBDHM C[C@@H]1CN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C(=O)[O-] ZINC001607438857 1351494429 /nfs/dbraw/zinc/49/44/29/1351494429.db2.gz AMSVYSVPPOMJEH-IAQYHMDHSA-N -1 3 330.344 2.068 20 5 EEBDHM Cc1nnc(CSCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592443934 1404032901 /nfs/dbraw/zinc/03/29/01/1404032901.db2.gz QRZVEXRWZQKAIV-UHFFFAOYSA-N -1 3 349.401 2.368 20 5 EEBDHM Cc1nnc(CSCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592443934 1404032909 /nfs/dbraw/zinc/03/29/09/1404032909.db2.gz QRZVEXRWZQKAIV-UHFFFAOYSA-N -1 3 349.401 2.368 20 5 EEBDHM CC(C)=C(F)C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091441987 790853234 /nfs/dbraw/zinc/85/32/34/790853234.db2.gz MONNYDGOAYYHDE-MGCOHNPYSA-N -1 3 338.339 2.266 20 5 EEBDHM Cc1coc(C)c1C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107177251 786210224 /nfs/dbraw/zinc/21/02/24/786210224.db2.gz GMUCWAISRZUXQY-ONEGZZNKSA-N -1 3 346.343 2.303 20 5 EEBDHM Cc1cc(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)[nH]1 ZINC001107543520 787562495 /nfs/dbraw/zinc/56/24/95/787562495.db2.gz ZKFIPQYEKZCCEI-ARJAWSKDSA-N -1 3 345.359 2.038 20 5 EEBDHM O=[N+]([O-])c1ccccc1CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000823647510 787850938 /nfs/dbraw/zinc/85/09/38/787850938.db2.gz LDERUIHLAIJBQY-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1ccccc1CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000823647510 787850943 /nfs/dbraw/zinc/85/09/43/787850943.db2.gz LDERUIHLAIJBQY-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC000824078737 788042862 /nfs/dbraw/zinc/04/28/62/788042862.db2.gz KANFZRYLVPLMCR-SMDDNHRTSA-N -1 3 346.391 2.008 20 5 EEBDHM CC(C)(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC000824078737 788042870 /nfs/dbraw/zinc/04/28/70/788042870.db2.gz KANFZRYLVPLMCR-SMDDNHRTSA-N -1 3 346.391 2.008 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1ccccc1 ZINC001110045501 806444879 /nfs/dbraw/zinc/44/48/79/806444879.db2.gz NHVGLVQZQFOCTI-UHFFFAOYSA-N -1 3 328.328 2.070 20 5 EEBDHM Cc1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])oc1C ZINC001094368397 796166436 /nfs/dbraw/zinc/16/64/36/796166436.db2.gz VUKJIPMUHVODLR-UHFFFAOYSA-N -1 3 334.332 2.137 20 5 EEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC=CCC1 ZINC001094438007 796243093 /nfs/dbraw/zinc/24/30/93/796243093.db2.gz XGPOUKWVRKTTPB-UHFFFAOYSA-N -1 3 334.376 2.360 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccc(F)c1 ZINC001109358892 805358065 /nfs/dbraw/zinc/35/80/65/805358065.db2.gz IXHUASFWEAQFEI-UHFFFAOYSA-N -1 3 348.334 2.409 20 5 EEBDHM CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC001596363303 983845148 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20 5 EEBDHM COCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821687033 599477834 /nfs/dbraw/zinc/47/78/34/599477834.db2.gz KZYLAYOLTZILEI-UHFFFAOYSA-N -1 3 343.347 2.162 20 5 EEBDHM COCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821687033 599477835 /nfs/dbraw/zinc/47/78/35/599477835.db2.gz KZYLAYOLTZILEI-UHFFFAOYSA-N -1 3 343.347 2.162 20 5 EEBDHM Cc1nn(CN(C[C@H](C)C(=O)[O-])C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000833016761 602193154 /nfs/dbraw/zinc/19/31/54/602193154.db2.gz GJYMEDIGQFPCNT-JTQLQIEISA-N -1 3 332.360 2.396 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NCCNc1ncccc1-c1nnn[n-]1 ZINC000822212687 606460735 /nfs/dbraw/zinc/46/07/35/606460735.db2.gz CBEHKEIGAJTJPN-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1NCCNc1ncccc1-c1nn[n-]n1 ZINC000822212687 606460736 /nfs/dbraw/zinc/46/07/36/606460736.db2.gz CBEHKEIGAJTJPN-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821845549 606461719 /nfs/dbraw/zinc/46/17/19/606461719.db2.gz HVGXVJJAZWZILZ-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821845549 606461720 /nfs/dbraw/zinc/46/17/20/606461720.db2.gz HVGXVJJAZWZILZ-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]1c1ncc[nH]1 ZINC000823630319 606481721 /nfs/dbraw/zinc/48/17/21/606481721.db2.gz WVUUYECJTYBZKW-LBPRGKRZSA-N -1 3 340.347 2.230 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@H]1c1ncc[nH]1 ZINC000823630319 606481723 /nfs/dbraw/zinc/48/17/23/606481723.db2.gz WVUUYECJTYBZKW-LBPRGKRZSA-N -1 3 340.347 2.230 20 5 EEBDHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821794410 606644370 /nfs/dbraw/zinc/64/43/70/606644370.db2.gz GEHBCFXZVMODNV-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820232495 607045587 /nfs/dbraw/zinc/04/55/87/607045587.db2.gz GMUDWCUWHUVALZ-ZANVPECISA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820232495 607045589 /nfs/dbraw/zinc/04/55/89/607045589.db2.gz GMUDWCUWHUVALZ-ZANVPECISA-N -1 3 344.331 2.292 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H](c2cccnc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000826500553 607969142 /nfs/dbraw/zinc/96/91/42/607969142.db2.gz BTJQLOSAPVHRAH-ZDUSSCGKSA-N -1 3 338.331 2.128 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H](c2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000826500553 607969143 /nfs/dbraw/zinc/96/91/43/607969143.db2.gz BTJQLOSAPVHRAH-ZDUSSCGKSA-N -1 3 338.331 2.128 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826304314 607981819 /nfs/dbraw/zinc/98/18/19/607981819.db2.gz GPMYJGSLIDHPQB-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826304314 607981820 /nfs/dbraw/zinc/98/18/20/607981820.db2.gz GPMYJGSLIDHPQB-AWEZNQCLSA-N -1 3 341.327 2.196 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000826450953 608162271 /nfs/dbraw/zinc/16/22/71/608162271.db2.gz JXJCECJVYHDVSF-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000826450953 608162272 /nfs/dbraw/zinc/16/22/72/608162272.db2.gz JXJCECJVYHDVSF-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CSc1nc2nncc-2c(O)[n-]1 ZINC000914866337 683995947 /nfs/dbraw/zinc/99/59/47/683995947.db2.gz HFGKDVCLUGADHE-UHFFFAOYSA-N -1 3 333.329 2.268 20 5 EEBDHM O=C(CC1CCCC1)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059553869 687052552 /nfs/dbraw/zinc/05/25/52/687052552.db2.gz FOAWBZSHFBJARW-TXEJJXNPSA-N -1 3 334.376 2.335 20 5 EEBDHM Cc1c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000007155782 694224720 /nfs/dbraw/zinc/22/47/20/694224720.db2.gz GDNKYWHOBRKRAW-UHFFFAOYSA-N -1 3 348.336 2.078 20 5 EEBDHM Cc1ccccc1C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107009546 1192635531 /nfs/dbraw/zinc/63/55/31/1192635531.db2.gz GYFYHXKZZHFKEU-PLNGDYQASA-N -1 3 342.355 2.402 20 5 EEBDHM CC/C=C(\C)C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095405700 1204891969 /nfs/dbraw/zinc/89/19/69/1204891969.db2.gz UKHGYSRPPJDAPT-NYYWCZLTSA-N -1 3 334.376 2.137 20 5 EEBDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005694155 1205470126 /nfs/dbraw/zinc/47/01/26/1205470126.db2.gz MMZFQWJFHILRBY-JTQLQIEISA-N -1 3 330.296 2.484 20 5 EEBDHM CC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN(C(=O)c2ccco2)CC1 ZINC001067231773 1224928228 /nfs/dbraw/zinc/92/82/28/1224928228.db2.gz IVWNIOVWIHSGKA-UHFFFAOYSA-N -1 3 346.343 2.395 20 5 EEBDHM COC(=O)[C@@](C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778006416 1207407544 /nfs/dbraw/zinc/40/75/44/1207407544.db2.gz UOUIABVDWKRVLF-AWEZNQCLSA-N -1 3 342.298 2.145 20 5 EEBDHM CCC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001097094575 1243692824 /nfs/dbraw/zinc/69/28/24/1243692824.db2.gz KKKZBKLZMHDPHW-XYPYZODXSA-N -1 3 334.376 2.335 20 5 EEBDHM C=C/C(C)=C/CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097239770 1243868054 /nfs/dbraw/zinc/86/80/54/1243868054.db2.gz CCJUBWKBXWVLSJ-OBVNTCLNSA-N -1 3 332.360 2.277 20 5 EEBDHM CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097565975 1244367524 /nfs/dbraw/zinc/36/75/24/1244367524.db2.gz JIKBIYKDTRZVIR-JYAVWHMHSA-N -1 3 348.403 2.217 20 5 EEBDHM O=C(CC1=CCCCC1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055746295 1250743523 /nfs/dbraw/zinc/74/35/23/1250743523.db2.gz PGSJUURRNWCBTE-UHFFFAOYSA-N -1 3 346.387 2.235 20 5 EEBDHM CC(C)C(=O)N1C[C@@]2(C)CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001068416226 1251001319 /nfs/dbraw/zinc/00/13/19/1251001319.db2.gz WIFMAZMPDRKHMT-CALCHBBNSA-N -1 3 348.403 2.026 20 5 EEBDHM Cc1ccc(N2CCC[C@H](Oc3nccc([O-])c3[N+](=O)[O-])C2)nc1 ZINC001225664940 1301115823 /nfs/dbraw/zinc/11/58/23/1301115823.db2.gz UTVCLCTZOWWNNM-LBPRGKRZSA-N -1 3 330.344 2.447 20 5 EEBDHM Cc1ccc(N2CCC[C@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])C2)nc1 ZINC001225664940 1301115829 /nfs/dbraw/zinc/11/58/29/1301115829.db2.gz UTVCLCTZOWWNNM-LBPRGKRZSA-N -1 3 330.344 2.447 20 5 EEBDHM COC(=O)C[C@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690108 1301929884 /nfs/dbraw/zinc/92/98/84/1301929884.db2.gz GCFVJGUIFCUILO-UWVGGRQHSA-N -1 3 334.332 2.367 20 5 EEBDHM C/C(=C\C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001609060478 1351827360 /nfs/dbraw/zinc/82/73/60/1351827360.db2.gz MTTRPMLSCDZFEA-VQHVLOKHSA-N -1 3 329.316 2.174 20 5 EEBDHM C/C(=C\C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001609060478 1351827364 /nfs/dbraw/zinc/82/73/64/1351827364.db2.gz MTTRPMLSCDZFEA-VQHVLOKHSA-N -1 3 329.316 2.174 20 5 EEBDHM CC[C@H](C)C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC ZINC001609186300 1351881355 /nfs/dbraw/zinc/88/13/55/1351881355.db2.gz XIHXKXDVBTYCQX-CABZTGNLSA-N -1 3 348.363 2.165 20 5 EEBDHM CC[C@H](C)C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC ZINC001609186300 1351881357 /nfs/dbraw/zinc/88/13/57/1351881357.db2.gz XIHXKXDVBTYCQX-CABZTGNLSA-N -1 3 348.363 2.165 20 5 EEBDHM Cc1cc(N2CC(C(F)(F)F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405149 1351963770 /nfs/dbraw/zinc/96/37/70/1351963770.db2.gz YAKNMHDIKTZESM-UHFFFAOYSA-N -1 3 328.254 2.082 20 5 EEBDHM Cc1cc(N2CC(C(F)(F)F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405149 1351963771 /nfs/dbraw/zinc/96/37/71/1351963771.db2.gz YAKNMHDIKTZESM-UHFFFAOYSA-N -1 3 328.254 2.082 20 5 EEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc([N+](=O)[O-])cc1 ZINC001609518157 1352003392 /nfs/dbraw/zinc/00/33/92/1352003392.db2.gz CTYIKKWMWZMXOP-BJMVGYQFSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc([N+](=O)[O-])cc1 ZINC001609518157 1352003397 /nfs/dbraw/zinc/00/33/97/1352003397.db2.gz CTYIKKWMWZMXOP-BJMVGYQFSA-N -1 3 336.311 2.427 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H]2CCO[C@H](C3CC3)C2)ccc1-c1nnn[n-]1 ZINC001609601297 1352030781 /nfs/dbraw/zinc/03/07/81/1352030781.db2.gz WBIDWYAPSIJDJQ-FZMZJTMJSA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1ncsc1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581586427 1344640332 /nfs/dbraw/zinc/64/03/32/1344640332.db2.gz OJRCBTPMDYYNCL-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM Cc1ncsc1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581586427 1344640338 /nfs/dbraw/zinc/64/03/38/1344640338.db2.gz OJRCBTPMDYYNCL-UHFFFAOYSA-N -1 3 331.361 2.194 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1cccc(CO)c1 ZINC001582803547 1344793167 /nfs/dbraw/zinc/79/31/67/1344793167.db2.gz LOMGGHMCYLECKJ-UHFFFAOYSA-N -1 3 329.341 2.418 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1cccc(CO)c1 ZINC001582803547 1344793172 /nfs/dbraw/zinc/79/31/72/1344793172.db2.gz LOMGGHMCYLECKJ-UHFFFAOYSA-N -1 3 329.341 2.418 20 5 EEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1Cc2ccccc2C1 ZINC001591157477 1349443875 /nfs/dbraw/zinc/44/38/75/1349443875.db2.gz VTALVFUQRYHJTL-UHFFFAOYSA-N -1 3 336.355 2.379 20 5 EEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1Cc2ccccc2C1 ZINC001591157477 1349443878 /nfs/dbraw/zinc/44/38/78/1349443878.db2.gz VTALVFUQRYHJTL-UHFFFAOYSA-N -1 3 336.355 2.379 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1COc1cccc(-c2nnn[n-]2)c1 ZINC001591622814 1349519098 /nfs/dbraw/zinc/51/90/98/1349519098.db2.gz FKBNJVDNTGORRM-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1COc1cccc(-c2nn[n-]n2)c1 ZINC001591622814 1349519103 /nfs/dbraw/zinc/51/91/03/1349519103.db2.gz FKBNJVDNTGORRM-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccccc2F)c1-c1nnn[n-]1 ZINC001592756628 1349712613 /nfs/dbraw/zinc/71/26/13/1349712613.db2.gz DOGVSZCXFYIMHC-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccccc2F)c1-c1nn[n-]n1 ZINC001592756628 1349712615 /nfs/dbraw/zinc/71/26/15/1349712615.db2.gz DOGVSZCXFYIMHC-UHFFFAOYSA-N -1 3 329.295 2.108 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC001592758032 1349713515 /nfs/dbraw/zinc/71/35/15/1349713515.db2.gz QKTYENGJCZPVQY-NWGYLPEXSA-N -1 3 329.364 2.348 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC001592758032 1349713521 /nfs/dbraw/zinc/71/35/21/1349713521.db2.gz QKTYENGJCZPVQY-NWGYLPEXSA-N -1 3 329.364 2.348 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC2C[C@H]3CC[C@@H](C2)S3)c1-c1nnn[n-]1 ZINC001592757874 1349713874 /nfs/dbraw/zinc/71/38/74/1349713874.db2.gz PFBFWQDYKSHNDG-CBLAIPOGSA-N -1 3 347.404 2.196 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC2C[C@H]3CC[C@@H](C2)S3)c1-c1nn[n-]n1 ZINC001592757874 1349713875 /nfs/dbraw/zinc/71/38/75/1349713875.db2.gz PFBFWQDYKSHNDG-CBLAIPOGSA-N -1 3 347.404 2.196 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001593302002 1349774567 /nfs/dbraw/zinc/77/45/67/1349774567.db2.gz IISCTRQSPMMEOA-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001593302002 1349774569 /nfs/dbraw/zinc/77/45/69/1349774569.db2.gz IISCTRQSPMMEOA-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593415408 1349799244 /nfs/dbraw/zinc/79/92/44/1349799244.db2.gz FZLNJMXESRBIGS-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593415408 1349799249 /nfs/dbraw/zinc/79/92/49/1349799249.db2.gz FZLNJMXESRBIGS-UHFFFAOYSA-N -1 3 343.274 2.306 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593469409 1349804787 /nfs/dbraw/zinc/80/47/87/1349804787.db2.gz PERGRTLFYLJORT-JGVFFNPUSA-N -1 3 340.265 2.005 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593469409 1349804793 /nfs/dbraw/zinc/80/47/93/1349804793.db2.gz PERGRTLFYLJORT-JGVFFNPUSA-N -1 3 340.265 2.005 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1COc2ccccc21 ZINC001593469914 1349806349 /nfs/dbraw/zinc/80/63/49/1349806349.db2.gz CEAGPBCDXBOGFJ-NSHDSACASA-N -1 3 338.327 2.363 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1COc2ccccc21 ZINC001593469914 1349806351 /nfs/dbraw/zinc/80/63/51/1349806351.db2.gz CEAGPBCDXBOGFJ-NSHDSACASA-N -1 3 338.327 2.363 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCOC[C@H](C3CCC3)C2)ccc1-c1nnn[n-]1 ZINC001593471200 1349807422 /nfs/dbraw/zinc/80/74/22/1349807422.db2.gz KTTDWYITOVHYBP-GFCCVEGCSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001593475594 1349809211 /nfs/dbraw/zinc/80/92/11/1349809211.db2.gz QJSUWTKEEQHTRZ-JGVFFNPUSA-N -1 3 328.254 2.385 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@H]1C(F)(F)F ZINC001593475594 1349809213 /nfs/dbraw/zinc/80/92/13/1349809213.db2.gz QJSUWTKEEQHTRZ-JGVFFNPUSA-N -1 3 328.254 2.385 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)N(CCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001593479578 1349812002 /nfs/dbraw/zinc/81/20/02/1349812002.db2.gz LPRCUBHKPXAVRO-UHFFFAOYSA-N -1 3 336.355 2.380 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)N(CCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001593479578 1349812003 /nfs/dbraw/zinc/81/20/03/1349812003.db2.gz LPRCUBHKPXAVRO-UHFFFAOYSA-N -1 3 336.355 2.380 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H](O)c1ccccc1F ZINC001593480267 1349813405 /nfs/dbraw/zinc/81/34/05/1349813405.db2.gz HSJFPJXZPDXJDM-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H](O)c1ccccc1F ZINC001593480267 1349813408 /nfs/dbraw/zinc/81/34/08/1349813408.db2.gz HSJFPJXZPDXJDM-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cc(C(F)F)on1 ZINC001593483613 1349813884 /nfs/dbraw/zinc/81/38/84/1349813884.db2.gz YIOCYRFBVAVZGC-UHFFFAOYSA-N -1 3 337.246 2.313 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cc(C(F)F)on1 ZINC001593483613 1349813888 /nfs/dbraw/zinc/81/38/88/1349813888.db2.gz YIOCYRFBVAVZGC-UHFFFAOYSA-N -1 3 337.246 2.313 20 5 EEBDHM O=[N+]([O-])c1ncccc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001593487001 1349814695 /nfs/dbraw/zinc/81/46/95/1349814695.db2.gz GWUJWVHTJZHQBJ-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM 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COc1cc(C[NH2+][C@@H](C)CCCCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001116762143 1305916247 /nfs/dbraw/zinc/91/62/47/1305916247.db2.gz CVTLDLHIWVUEOO-JTQLQIEISA-N -1 3 326.349 2.432 20 5 EEBDHM O=C([O-])CC1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001608686460 1351742017 /nfs/dbraw/zinc/74/20/17/1351742017.db2.gz DQRPZFUKGBDFHR-UHFFFAOYSA-N -1 3 341.751 2.174 20 5 EEBDHM C[C@H]1C[C@H](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001609156423 1351867331 /nfs/dbraw/zinc/86/73/31/1351867331.db2.gz HRRJSWNGMFETSE-WDEREUQCSA-N -1 3 332.364 2.392 20 5 EEBDHM CO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C12CCC2 ZINC001609313930 1351929840 /nfs/dbraw/zinc/92/98/40/1351929840.db2.gz XWQWGOLHNBVSAZ-KBPBESRZSA-N -1 3 344.375 2.169 20 5 EEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC001609536197 1352009301 /nfs/dbraw/zinc/00/93/01/1352009301.db2.gz IRVBXCOPYCWTHQ-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC001609536197 1352009303 /nfs/dbraw/zinc/00/93/03/1352009303.db2.gz IRVBXCOPYCWTHQ-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM Cc1nc[n-]c(=O)c1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001332709644 1335887645 /nfs/dbraw/zinc/88/76/45/1335887645.db2.gz IFMTXXLMMILVLV-UHFFFAOYSA-N -1 3 344.371 2.383 20 5 EEBDHM C[C@@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccs1 ZINC001589991020 1349096509 /nfs/dbraw/zinc/09/65/09/1349096509.db2.gz OCLYYKMBIKAVAI-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccs1 ZINC001589991020 1349096513 /nfs/dbraw/zinc/09/65/13/1349096513.db2.gz OCLYYKMBIKAVAI-CQSZACIVSA-N -1 3 346.372 2.156 20 5 EEBDHM C[C@@H]1COC2(CCCC2)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590322434 1349264041 /nfs/dbraw/zinc/26/40/41/1349264041.db2.gz BNTHPZGIFYOEBL-LLVKDONJSA-N -1 3 344.375 2.313 20 5 EEBDHM C[C@@H]1COC2(CCCC2)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590322434 1349264046 /nfs/dbraw/zinc/26/40/46/1349264046.db2.gz BNTHPZGIFYOEBL-LLVKDONJSA-N -1 3 344.375 2.313 20 5 EEBDHM CO[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1(C)C ZINC001591357543 1349470862 /nfs/dbraw/zinc/47/08/62/1349470862.db2.gz GEFQCDZGIIFKDK-ZDUSSCGKSA-N -1 3 332.364 2.026 20 5 EEBDHM CO[C@H]1CCC[C@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591359092 1349471302 /nfs/dbraw/zinc/47/13/02/1349471302.db2.gz ASKOIBRPUJXBHA-SDBXPKJASA-N -1 3 336.327 2.141 20 5 EEBDHM CO[C@H]1CCC[C@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591359092 1349471305 /nfs/dbraw/zinc/47/13/05/1349471305.db2.gz ASKOIBRPUJXBHA-SDBXPKJASA-N -1 3 336.327 2.141 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccc(Cl)c1 ZINC001593472341 1349807037 /nfs/dbraw/zinc/80/70/37/1349807037.db2.gz ZKLFHLJFIRWIHN-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccc(Cl)c1 ZINC001593472341 1349807043 /nfs/dbraw/zinc/80/70/43/1349807043.db2.gz ZKLFHLJFIRWIHN-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCc2c(O)cccc2C1 ZINC001593474115 1349808075 /nfs/dbraw/zinc/80/80/75/1349808075.db2.gz FPAGJPYHHFMMHF-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCc2c(O)cccc2C1 ZINC001593474115 1349808079 /nfs/dbraw/zinc/80/80/79/1349808079.db2.gz FPAGJPYHHFMMHF-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001593487388 1349816179 /nfs/dbraw/zinc/81/61/79/1349816179.db2.gz LGKKSFDWZUHADL-GXFFZTMASA-N -1 3 341.306 2.277 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001593487388 1349816183 /nfs/dbraw/zinc/81/61/83/1349816183.db2.gz LGKKSFDWZUHADL-GXFFZTMASA-N -1 3 341.306 2.277 20 5 EEBDHM CC1(C)C[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603762675 1350760090 /nfs/dbraw/zinc/76/00/90/1350760090.db2.gz MDKSQYHOLUUHHY-SNVBAGLBSA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)C[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603762675 1350760091 /nfs/dbraw/zinc/76/00/91/1350760091.db2.gz MDKSQYHOLUUHHY-SNVBAGLBSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001605404534 1351154577 /nfs/dbraw/zinc/15/45/77/1351154577.db2.gz DGPIMWNAWFXMCW-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001605404534 1351154580 /nfs/dbraw/zinc/15/45/80/1351154580.db2.gz DGPIMWNAWFXMCW-MRVPVSSYSA-N -1 3 329.295 2.482 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CC12CC2 ZINC001606896854 1351371536 /nfs/dbraw/zinc/37/15/36/1351371536.db2.gz AAJQLYKWRIJKSI-SSDOTTSWSA-N -1 3 334.723 2.167 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CC12CC2 ZINC001606896854 1351371538 /nfs/dbraw/zinc/37/15/38/1351371538.db2.gz AAJQLYKWRIJKSI-SSDOTTSWSA-N -1 3 334.723 2.167 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@H]1CC1(F)F ZINC001607077741 1351407706 /nfs/dbraw/zinc/40/77/06/1351407706.db2.gz QYMKRDLQOAEKEZ-LURJTMIESA-N -1 3 328.254 2.371 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[C@H]1CC1(F)F ZINC001607077741 1351407707 /nfs/dbraw/zinc/40/77/07/1351407707.db2.gz QYMKRDLQOAEKEZ-LURJTMIESA-N -1 3 328.254 2.371 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001607077925 1351407883 /nfs/dbraw/zinc/40/78/83/1351407883.db2.gz VOFDYQXSTGHHDD-XPTSAGLGSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001607077925 1351407886 /nfs/dbraw/zinc/40/78/86/1351407886.db2.gz VOFDYQXSTGHHDD-XPTSAGLGSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(OCc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC001607079866 1351408362 /nfs/dbraw/zinc/40/83/62/1351408362.db2.gz MSAWVJYSZLOUGQ-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM O=[N+]([O-])c1cc(OCc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC001607079866 1351408364 /nfs/dbraw/zinc/40/83/64/1351408364.db2.gz MSAWVJYSZLOUGQ-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1C[C@]12CCOC2 ZINC001607079657 1351408598 /nfs/dbraw/zinc/40/85/98/1351408598.db2.gz NVQKVLGIDXOIGE-WFASDCNBSA-N -1 3 347.400 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1C[C@]12CCOC2 ZINC001607079657 1351408601 /nfs/dbraw/zinc/40/86/01/1351408601.db2.gz NVQKVLGIDXOIGE-WFASDCNBSA-N -1 3 347.400 2.435 20 5 EEBDHM Cc1cc(N2Cc3ccc(O)cc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592013587 1403984561 /nfs/dbraw/zinc/98/45/61/1403984561.db2.gz VJXWIGRQHJZFLC-UHFFFAOYSA-N -1 3 338.327 2.309 20 5 EEBDHM Cc1cc(N2Cc3ccc(O)cc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592013587 1403984567 /nfs/dbraw/zinc/98/45/67/1403984567.db2.gz VJXWIGRQHJZFLC-UHFFFAOYSA-N -1 3 338.327 2.309 20 5 EEBDHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592133625 1404002193 /nfs/dbraw/zinc/00/21/93/1404002193.db2.gz PLTNFWCYQNXZIW-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001592133625 1404002199 /nfs/dbraw/zinc/00/21/99/1404002199.db2.gz PLTNFWCYQNXZIW-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001105344677 773338769 /nfs/dbraw/zinc/33/87/69/773338769.db2.gz RKUFBRQEGJUAJP-UHFFFAOYSA-N -1 3 348.403 2.481 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CC=CC1 ZINC001112163773 781769353 /nfs/dbraw/zinc/76/93/53/781769353.db2.gz PRCJRFDLSFTSRJ-UHFFFAOYSA-N -1 3 348.403 2.336 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(F)CCCC1 ZINC001109557433 805665571 /nfs/dbraw/zinc/66/55/71/805665571.db2.gz CQEBLCASLNLALP-UHFFFAOYSA-N -1 3 340.355 2.238 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821615856 786825213 /nfs/dbraw/zinc/82/52/13/786825213.db2.gz REKCDKAQCQYJQX-UHFFFAOYSA-N -1 3 344.356 2.109 20 5 EEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821615856 786825219 /nfs/dbraw/zinc/82/52/19/786825219.db2.gz REKCDKAQCQYJQX-UHFFFAOYSA-N -1 3 344.356 2.109 20 5 EEBDHM CCCC(=O)NCc1nc(CNc2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001091710965 792350619 /nfs/dbraw/zinc/35/06/19/792350619.db2.gz HJCYWQSKVPXTCX-UHFFFAOYSA-N -1 3 345.359 2.119 20 5 EEBDHM Cc1cnc(NCCCNC(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001094338343 796113221 /nfs/dbraw/zinc/11/32/21/796113221.db2.gz ISUUEMIXRQFPKG-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM CCn1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001094716205 796523760 /nfs/dbraw/zinc/52/37/60/796523760.db2.gz MIDXAFKFLVNJET-UHFFFAOYSA-N -1 3 347.375 2.057 20 5 EEBDHM CCCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110333839 801609169 /nfs/dbraw/zinc/60/91/69/801609169.db2.gz UVWBLGRDFNCPOU-UHFFFAOYSA-N -1 3 334.376 2.336 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccccc1F ZINC001109360862 805358751 /nfs/dbraw/zinc/35/87/51/805358751.db2.gz YMYQJDWHMJYCHJ-UHFFFAOYSA-N -1 3 348.334 2.409 20 5 EEBDHM CCc1[nH]ccc1C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109430739 805450950 /nfs/dbraw/zinc/45/09/50/805450950.db2.gz HKHFFRVEJRQIAM-UHFFFAOYSA-N -1 3 347.375 2.160 20 5 EEBDHM Cc1c(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000790096452 808408469 /nfs/dbraw/zinc/40/84/69/808408469.db2.gz BFBPTTOSPZZAFZ-GDNBJRDFSA-N -1 3 337.335 2.304 20 5 EEBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000056068730 214356963 /nfs/dbraw/zinc/35/69/63/214356963.db2.gz PJVNYKGETDOLPE-UHFFFAOYSA-N -1 3 336.369 2.124 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1c(F)cccc1F ZINC000056105516 214358969 /nfs/dbraw/zinc/35/89/69/214358969.db2.gz IBAQXSADNRKKGD-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000173814699 529653328 /nfs/dbraw/zinc/65/33/28/529653328.db2.gz SUBDIDBDRLCLLM-UHFFFAOYSA-N -1 3 341.414 2.401 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000178567146 232261487 /nfs/dbraw/zinc/26/14/87/232261487.db2.gz OVPWOKRMLWEUHQ-UHFFFAOYSA-N -1 3 348.808 2.140 20 5 EEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271240034 256224105 /nfs/dbraw/zinc/22/41/05/256224105.db2.gz DBGRRYZZUBANTJ-NXEZZACHSA-N -1 3 348.808 2.342 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)cc1C ZINC000271250519 256224896 /nfs/dbraw/zinc/22/48/96/256224896.db2.gz HUADTUWARGQYPS-OLZOCXBDSA-N -1 3 342.417 2.305 20 5 EEBDHM CCCc1[nH]nc(C(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000272864781 256245086 /nfs/dbraw/zinc/24/50/86/256245086.db2.gz JNGCDUACMIDBRG-UHFFFAOYSA-N -1 3 349.303 2.440 20 5 EEBDHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000347951138 143659153 /nfs/dbraw/zinc/65/91/53/143659153.db2.gz DWTBXELSORYSDU-UHFFFAOYSA-N -1 3 342.304 2.124 20 5 EEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnc[nH]2)c1 ZINC000092550161 159222717 /nfs/dbraw/zinc/22/27/17/159222717.db2.gz QRNICFDVSPJWNY-UHFFFAOYSA-N -1 3 325.284 2.338 20 5 EEBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000107429493 159331997 /nfs/dbraw/zinc/33/19/97/159331997.db2.gz PGMNEKFCUAQTHA-UHFFFAOYSA-N -1 3 346.368 2.029 20 5 EEBDHM Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000119649940 159380753 /nfs/dbraw/zinc/38/07/53/159380753.db2.gz SAADTYLNBTUEDN-LLVKDONJSA-N -1 3 343.339 2.366 20 5 EEBDHM Cc1ccc([C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000187032887 160090565 /nfs/dbraw/zinc/09/05/65/160090565.db2.gz XYFYPSLAXDCMQS-OAHLLOKOSA-N -1 3 344.371 2.037 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccs2)c(Cl)c1 ZINC000193905263 160188528 /nfs/dbraw/zinc/18/85/28/160188528.db2.gz IHGFJLMSNFTITQ-UHFFFAOYSA-N -1 3 333.778 2.183 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000341966667 161028136 /nfs/dbraw/zinc/02/81/36/161028136.db2.gz YHFRSWOAPSMRFL-NSHDSACASA-N -1 3 334.353 2.049 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccon1 ZINC000342372177 161060453 /nfs/dbraw/zinc/06/04/53/161060453.db2.gz IQCTZBXYNOJJEW-SSDOTTSWSA-N -1 3 331.737 2.276 20 5 EEBDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000343906803 161179598 /nfs/dbraw/zinc/17/95/98/161179598.db2.gz MPWLBZLURDFMSQ-VXGBXAGGSA-N -1 3 328.390 2.078 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000344051640 161193654 /nfs/dbraw/zinc/19/36/54/161193654.db2.gz LEKGEBWPXXCCCU-NSHDSACASA-N -1 3 330.431 2.467 20 5 EEBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360584725 164345509 /nfs/dbraw/zinc/34/55/09/164345509.db2.gz RGDSJUZDGGJJSX-NSHDSACASA-N -1 3 330.406 2.385 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157868222 292574219 /nfs/dbraw/zinc/57/42/19/292574219.db2.gz RHWWFUGTIYLTCT-ZYHUDNBSSA-N -1 3 348.808 2.484 20 5 EEBDHM COCCCO[N-]C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000287042476 274929544 /nfs/dbraw/zinc/92/95/44/274929544.db2.gz JPGRATYJENUURB-UHFFFAOYSA-N -1 3 348.153 2.447 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]CCCCCSC)c([N+](=O)[O-])c1 ZINC000274743134 269048609 /nfs/dbraw/zinc/04/86/09/269048609.db2.gz NUJBQCHRRUUUBE-UHFFFAOYSA-N -1 3 348.446 2.415 20 5 EEBDHM COc1cc(CN[C@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000188992248 274035376 /nfs/dbraw/zinc/03/53/76/274035376.db2.gz IYADNAYUYHKEAK-HNNXBMFYSA-N -1 3 346.383 2.311 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC[C@@H]2C)cc1C ZINC000285485375 274739932 /nfs/dbraw/zinc/73/99/32/274739932.db2.gz DBGZHBRRINUVSY-STQMWFEESA-N -1 3 342.417 2.163 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000451947644 294078321 /nfs/dbraw/zinc/07/83/21/294078321.db2.gz QNOSYCGEMJDNLU-IONNQARKSA-N -1 3 342.402 2.146 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000360009724 301557167 /nfs/dbraw/zinc/55/71/67/301557167.db2.gz AYLLTHVCYKPBJI-RISCZKNCSA-N -1 3 328.390 2.057 20 5 EEBDHM CN(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2o1 ZINC000158972811 311335081 /nfs/dbraw/zinc/33/50/81/311335081.db2.gz 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COc1ccc(CC(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000523424698 316989949 /nfs/dbraw/zinc/98/99/49/316989949.db2.gz JYLZGJPNRADZLX-UHFFFAOYSA-N -1 3 334.303 2.307 20 5 EEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000548041294 318348243 /nfs/dbraw/zinc/34/82/43/318348243.db2.gz GJSSBQPKYBYGMH-SNVBAGLBSA-N -1 3 347.824 2.011 20 5 EEBDHM COc1ccc(C(=O)[N-]c2nc(SC)ns2)cc1[N+](=O)[O-] ZINC000339353358 465219353 /nfs/dbraw/zinc/21/93/53/465219353.db2.gz UZHQEEQQMZIBGG-UHFFFAOYSA-N -1 3 326.359 2.429 20 5 EEBDHM Cc1ccc([O-])c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000067138831 462969170 /nfs/dbraw/zinc/96/91/70/462969170.db2.gz BTMMBBQIOUATBT-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000032436420 463376922 /nfs/dbraw/zinc/37/69/22/463376922.db2.gz XVRXZPIBGQWWDK-UHFFFAOYSA-N -1 3 340.357 2.026 20 5 EEBDHM COC(=O)c1cnc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])s1 ZINC000146250035 463385482 /nfs/dbraw/zinc/38/54/82/463385482.db2.gz GLNHCPYTXHDNTK-UHFFFAOYSA-N -1 3 337.313 2.099 20 5 EEBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124680785 463451491 /nfs/dbraw/zinc/45/14/91/463451491.db2.gz CLNVHBIRSBBAQF-MRVPVSSYSA-N -1 3 336.435 2.447 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CCCC[C@H]1O ZINC000124895056 463477657 /nfs/dbraw/zinc/47/76/57/463477657.db2.gz CFFFIZRNZLYBSY-HIFRSBDPSA-N -1 3 342.417 2.123 20 5 EEBDHM COc1cc(CNc2ccnc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC000285040449 464435754 /nfs/dbraw/zinc/43/57/54/464435754.db2.gz CDMOURYGZSAPSO-UHFFFAOYSA-N -1 3 346.343 2.018 20 5 EEBDHM O=C(Nc1nncn1-c1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000181102671 464446368 /nfs/dbraw/zinc/44/63/68/464446368.db2.gz AGEHNEAEYROGIS-UHFFFAOYSA-N -1 3 349.310 2.304 20 5 EEBDHM CC(C)n1cnnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272399440 464592321 /nfs/dbraw/zinc/59/23/21/464592321.db2.gz AJWQFUDCEROQQT-UHFFFAOYSA-N -1 3 339.302 2.175 20 5 EEBDHM O=C([N-]c1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285993583 464768208 /nfs/dbraw/zinc/76/82/08/464768208.db2.gz XYGIWHQMJCUTRX-UHFFFAOYSA-N -1 3 339.258 2.375 20 5 EEBDHM Cc1[nH]nc(C(=O)[N-]c2nc(C3CCOCC3)cs2)c1[N+](=O)[O-] ZINC000286548017 464955699 /nfs/dbraw/zinc/95/56/99/464955699.db2.gz ZXBAMEABEYSWRL-UHFFFAOYSA-N -1 3 337.361 2.229 20 5 EEBDHM CC1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2O1 ZINC000339646380 465414407 /nfs/dbraw/zinc/41/44/07/465414407.db2.gz AZXYTKRINDGFHK-UHFFFAOYSA-N -1 3 331.284 2.455 20 5 EEBDHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000349448980 466112683 /nfs/dbraw/zinc/11/26/83/466112683.db2.gz GRRXNNYUAZWCTQ-AWEZNQCLSA-N -1 3 348.384 2.123 20 5 EEBDHM CCSc1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000354427799 466560395 /nfs/dbraw/zinc/56/03/95/466560395.db2.gz URTOEGLKKLKMBS-UHFFFAOYSA-N -1 3 325.375 2.393 20 5 EEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000365608083 466880058 /nfs/dbraw/zinc/88/00/58/466880058.db2.gz XLSHZBRWXHWDIC-GDLCADMTSA-N -1 3 340.401 2.077 20 5 EEBDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000451673521 467266214 /nfs/dbraw/zinc/26/62/14/467266214.db2.gz LAZRTDNBEJNRIW-AAEUAGOBSA-N -1 3 330.406 2.243 20 5 EEBDHM O=C(Nc1ccc2oc(CO)cc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000567770238 468205771 /nfs/dbraw/zinc/20/57/71/468205771.db2.gz CTECNPRUNQYXMM-UHFFFAOYSA-N -1 3 329.268 2.186 20 5 EEBDHM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1=CCN(C)CC1 ZINC000569976468 468572864 /nfs/dbraw/zinc/57/28/64/468572864.db2.gz MPKJUMCBGROJGY-SECBINFHSA-N -1 3 339.779 2.334 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594480221 468601736 /nfs/dbraw/zinc/60/17/36/468601736.db2.gz NHAJYKNJXCGXOC-VIFPVBQESA-N -1 3 341.414 2.269 20 5 EEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000594759954 468676073 /nfs/dbraw/zinc/67/60/73/468676073.db2.gz NNWGQXIYVMULHJ-UHFFFAOYSA-N -1 3 333.369 2.364 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594858882 468709453 /nfs/dbraw/zinc/70/94/53/468709453.db2.gz ZFRYOPSMGBDYCA-LLVKDONJSA-N -1 3 332.353 2.209 20 5 EEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595368834 468827627 /nfs/dbraw/zinc/82/76/27/468827627.db2.gz PRNCZUFHDWMPGL-ZDUSSCGKSA-N -1 3 328.390 2.078 20 5 EEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(CC2CCC2)CC1 ZINC000573384877 469120273 /nfs/dbraw/zinc/12/02/73/469120273.db2.gz ITQGCUNOQPCADJ-UHFFFAOYSA-N -1 3 333.388 2.248 20 5 EEBDHM COc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC)c1OC ZINC000596083335 469146310 /nfs/dbraw/zinc/14/63/10/469146310.db2.gz ZZIPPUBBVQMSDC-UHFFFAOYSA-N -1 3 335.316 2.333 20 5 EEBDHM COc1cccc(N2CC[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596110613 469159154 /nfs/dbraw/zinc/15/91/54/469159154.db2.gz QZVIZVUWSUVRSK-LLVKDONJSA-N -1 3 330.344 2.395 20 5 EEBDHM COC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000596260553 469224897 /nfs/dbraw/zinc/22/48/97/469224897.db2.gz HOKXOTHCZXYEQI-CHWSQXEVSA-N -1 3 343.339 2.088 20 5 EEBDHM O=C1C[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000596271592 469228083 /nfs/dbraw/zinc/22/80/83/469228083.db2.gz SFDZSXPUZPOCTH-KRWDZBQOSA-N -1 3 341.323 2.310 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccns2)c1C ZINC000599370977 469233157 /nfs/dbraw/zinc/23/31/57/469233157.db2.gz BMVLANPOKWWFFQ-UHFFFAOYSA-N -1 3 327.387 2.147 20 5 EEBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(c2ccncc2)CC1 ZINC000603081530 469254403 /nfs/dbraw/zinc/25/44/03/469254403.db2.gz BNZJGTADGWINCZ-UHFFFAOYSA-N -1 3 342.355 2.048 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[n-]1 ZINC000617871448 469828508 /nfs/dbraw/zinc/82/85/08/469828508.db2.gz BBVGSGWAJKEHNC-UHFFFAOYSA-N -1 3 343.299 2.228 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c[n-]1 ZINC000617871448 469828513 /nfs/dbraw/zinc/82/85/13/469828513.db2.gz BBVGSGWAJKEHNC-UHFFFAOYSA-N -1 3 343.299 2.228 20 5 EEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1nnn[n-]1 ZINC000129826734 534031611 /nfs/dbraw/zinc/03/16/11/534031611.db2.gz FBEHMSUFVMBCIE-LLVKDONJSA-N -1 3 339.359 2.410 20 5 EEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1nn[n-]n1 ZINC000129826734 534031618 /nfs/dbraw/zinc/03/16/18/534031618.db2.gz FBEHMSUFVMBCIE-LLVKDONJSA-N -1 3 339.359 2.410 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000738370535 578011219 /nfs/dbraw/zinc/01/12/19/578011219.db2.gz VKXWKVJAMWNAHK-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000738370535 578011220 /nfs/dbraw/zinc/01/12/20/578011220.db2.gz VKXWKVJAMWNAHK-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM CN(C(=O)COC(=O)c1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000772577478 577283525 /nfs/dbraw/zinc/28/35/25/577283525.db2.gz DXDMAOKTGYMFPZ-UHFFFAOYSA-N -1 3 348.286 2.259 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)cs1 ZINC000768805387 577562943 /nfs/dbraw/zinc/56/29/43/577562943.db2.gz KNTQXJJRJRIXNT-YFKPBYRVSA-N -1 3 331.202 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)cs1 ZINC000768831695 577563558 /nfs/dbraw/zinc/56/35/58/577563558.db2.gz JPRXZIVUEIIEDB-UHFFFAOYSA-N -1 3 338.410 2.350 20 5 EEBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736140822 578182938 /nfs/dbraw/zinc/18/29/38/578182938.db2.gz CVOXXZZJNHEKJY-INIZCTEOSA-N -1 3 340.343 2.095 20 5 EEBDHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736140822 578182939 /nfs/dbraw/zinc/18/29/39/578182939.db2.gz CVOXXZZJNHEKJY-INIZCTEOSA-N -1 3 340.343 2.095 20 5 EEBDHM CN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736740559 578221484 /nfs/dbraw/zinc/22/14/84/578221484.db2.gz BGIJSRVFWNTALH-UHFFFAOYSA-N -1 3 348.319 2.252 20 5 EEBDHM CN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736740559 578221485 /nfs/dbraw/zinc/22/14/85/578221485.db2.gz BGIJSRVFWNTALH-UHFFFAOYSA-N -1 3 348.319 2.252 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000823634933 607383190 /nfs/dbraw/zinc/38/31/90/607383190.db2.gz ONIJMMZPUGCMDY-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000823634933 607383192 /nfs/dbraw/zinc/38/31/92/607383192.db2.gz ONIJMMZPUGCMDY-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM CCO[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821350911 606038218 /nfs/dbraw/zinc/03/82/18/606038218.db2.gz GMCPMSRTZCBGAT-LBPRGKRZSA-N -1 3 335.368 2.033 20 5 EEBDHM CCO[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821350911 606038223 /nfs/dbraw/zinc/03/82/23/606038223.db2.gz GMCPMSRTZCBGAT-LBPRGKRZSA-N -1 3 335.368 2.033 20 5 EEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385552 607799149 /nfs/dbraw/zinc/79/91/49/607799149.db2.gz KJFLLDWQXKUFBX-UHFFFAOYSA-N -1 3 328.288 2.035 20 5 EEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385552 607799150 /nfs/dbraw/zinc/79/91/50/607799150.db2.gz KJFLLDWQXKUFBX-UHFFFAOYSA-N -1 3 328.288 2.035 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824216654 608242673 /nfs/dbraw/zinc/24/26/73/608242673.db2.gz USDCLALKUNNALP-HZMBPMFUSA-N -1 3 332.364 2.390 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824216654 608242674 /nfs/dbraw/zinc/24/26/74/608242674.db2.gz USDCLALKUNNALP-HZMBPMFUSA-N -1 3 332.364 2.390 20 5 EEBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000825953737 608532809 /nfs/dbraw/zinc/53/28/09/608532809.db2.gz OHGOXNDEFBDMDA-UHFFFAOYSA-N -1 3 330.373 2.468 20 5 EEBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000825953737 608532811 /nfs/dbraw/zinc/53/28/11/608532811.db2.gz OHGOXNDEFBDMDA-UHFFFAOYSA-N -1 3 330.373 2.468 20 5 EEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC000101572002 683686828 /nfs/dbraw/zinc/68/68/28/683686828.db2.gz AWXHBASXKAYWOI-UHFFFAOYSA-N -1 3 347.824 2.012 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001107005765 1192508346 /nfs/dbraw/zinc/50/83/46/1192508346.db2.gz FDPRJBRZJPZMJK-SNAWJCMRSA-N -1 3 328.328 2.094 20 5 EEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]C(CF)CF ZINC000885417264 1202412311 /nfs/dbraw/zinc/41/23/11/1202412311.db2.gz XHBRPRGSWIKOCP-UHFFFAOYSA-N -1 3 328.724 2.143 20 5 EEBDHM CC/C(C)=C\C(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095873612 1211627368 /nfs/dbraw/zinc/62/73/68/1211627368.db2.gz FKJROXUXBZDPCW-QXMHVHEDSA-N -1 3 336.392 2.384 20 5 EEBDHM CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097002078 1243563276 /nfs/dbraw/zinc/56/32/76/1243563276.db2.gz SPIRDBMLPDFXNZ-LMLJSSHHSA-N -1 3 334.376 2.357 20 5 EEBDHM Cc1cc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])oc1C ZINC001101554182 1245958267 /nfs/dbraw/zinc/95/82/67/1245958267.db2.gz KWNVPWLYZVAKQI-UHFFFAOYSA-N -1 3 334.332 2.089 20 5 EEBDHM CC(C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)=C1CCC1 ZINC001057865629 1248018300 /nfs/dbraw/zinc/01/83/00/1248018300.db2.gz UFCVZPHOXUJEBY-UHFFFAOYSA-N -1 3 346.387 2.281 20 5 EEBDHM Cc1csc(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001055799100 1250828632 /nfs/dbraw/zinc/82/86/32/1250828632.db2.gz TZPJRRUOOQTJQI-UHFFFAOYSA-N -1 3 348.384 2.028 20 5 EEBDHM CCC1(C(=O)N2CCC(N(C)c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001068724088 1251591935 /nfs/dbraw/zinc/59/19/35/1251591935.db2.gz NIBVGJWARQPLTH-UHFFFAOYSA-N -1 3 348.403 2.313 20 5 EEBDHM CC(C)N(CCCNC(=O)c1ccc[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102073890 1300245473 /nfs/dbraw/zinc/24/54/73/1300245473.db2.gz YDGBEVADNZZITH-UHFFFAOYSA-N -1 3 347.375 2.058 20 5 EEBDHM C[C@H](CN(C)c1c2cc(F)ccc2ncc1[N+](=O)[O-])c1nnn[n-]1 ZINC001307090848 1331507874 /nfs/dbraw/zinc/50/78/74/1331507874.db2.gz XXMDUYREJWNRNC-MRVPVSSYSA-N -1 3 331.311 2.035 20 5 EEBDHM C[C@H](CN(C)c1c2cc(F)ccc2ncc1[N+](=O)[O-])c1nn[n-]n1 ZINC001307090848 1331507876 /nfs/dbraw/zinc/50/78/76/1331507876.db2.gz XXMDUYREJWNRNC-MRVPVSSYSA-N -1 3 331.311 2.035 20 5 EEBDHM COc1cc(CNCc2cc(C3CC3)n(C)n2)c([N+](=O)[O-])cc1[O-] ZINC001308533409 1331596503 /nfs/dbraw/zinc/59/65/03/1331596503.db2.gz WDWFXVSDIHVIEW-UHFFFAOYSA-N -1 3 332.360 2.210 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(-c2nnn[n-]2)ccn1 ZINC001609600326 1352030596 /nfs/dbraw/zinc/03/05/96/1352030596.db2.gz DBCRJFBDUQILIS-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(-c2nn[n-]n2)ccn1 ZINC001609600326 1352030599 /nfs/dbraw/zinc/03/05/99/1352030599.db2.gz DBCRJFBDUQILIS-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1sccc1N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582804731 1344792760 /nfs/dbraw/zinc/79/27/60/1344792760.db2.gz JPFXENWTJZRFIV-UHFFFAOYSA-N -1 3 343.372 2.137 20 5 EEBDHM O=[N+]([O-])c1sccc1N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582804731 1344792762 /nfs/dbraw/zinc/79/27/62/1344792762.db2.gz JPFXENWTJZRFIV-UHFFFAOYSA-N -1 3 343.372 2.137 20 5 EEBDHM C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1nccs1 ZINC001589876290 1349053788 /nfs/dbraw/zinc/05/37/88/1349053788.db2.gz UDCWLIYUPXRYBM-MRVPVSSYSA-N -1 3 331.361 2.447 20 5 EEBDHM C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1nccs1 ZINC001589876290 1349053795 /nfs/dbraw/zinc/05/37/95/1349053795.db2.gz UDCWLIYUPXRYBM-MRVPVSSYSA-N -1 3 331.361 2.447 20 5 EEBDHM CC1(C)CC(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590078433 1349142188 /nfs/dbraw/zinc/14/21/88/1349142188.db2.gz HTBAZBGSYRLFDO-UHFFFAOYSA-N -1 3 331.332 2.254 20 5 EEBDHM CC1(C)CC(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590078433 1349142196 /nfs/dbraw/zinc/14/21/96/1349142196.db2.gz HTBAZBGSYRLFDO-UHFFFAOYSA-N -1 3 331.332 2.254 20 5 EEBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001590109260 1349159613 /nfs/dbraw/zinc/15/96/13/1349159613.db2.gz RRSDHWSOQIWMJF-UHFFFAOYSA-N -1 3 331.380 2.432 20 5 EEBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001590109260 1349159619 /nfs/dbraw/zinc/15/96/19/1349159619.db2.gz RRSDHWSOQIWMJF-UHFFFAOYSA-N -1 3 331.380 2.432 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO[C@@H]1C1CC1 ZINC001590134897 1349170165 /nfs/dbraw/zinc/17/01/65/1349170165.db2.gz CJLFISZFYJZQCS-GDBMZVCRSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO[C@@H]1C1CC1 ZINC001590134897 1349170169 /nfs/dbraw/zinc/17/01/69/1349170169.db2.gz CJLFISZFYJZQCS-GDBMZVCRSA-N -1 3 344.375 2.392 20 5 EEBDHM COCCC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1 ZINC001591401007 1349481501 /nfs/dbraw/zinc/48/15/01/1349481501.db2.gz LOYVRPZKODJLIO-UHFFFAOYSA-N -1 3 332.364 2.394 20 5 EEBDHM COc1cc(CNc2sccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591537046 1349500261 /nfs/dbraw/zinc/50/02/61/1349500261.db2.gz IAVACWMWOOSLNP-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM COc1cc(CNc2sccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591537046 1349500273 /nfs/dbraw/zinc/50/02/73/1349500273.db2.gz IAVACWMWOOSLNP-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ncc1-c1nnn[n-]1 ZINC001592031896 1349584646 /nfs/dbraw/zinc/58/46/46/1349584646.db2.gz SCMHAOCBLBHFPJ-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ncc1-c1nn[n-]n1 ZINC001592031896 1349584653 /nfs/dbraw/zinc/58/46/53/1349584653.db2.gz SCMHAOCBLBHFPJ-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cc(NC[C@@H](O)CC(C)(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042118 1349587104 /nfs/dbraw/zinc/58/71/04/1349587104.db2.gz YOBCOZITWJOXFL-JTQLQIEISA-N -1 3 334.380 2.292 20 5 EEBDHM Cc1cc(NC[C@@H](O)CC(C)(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042118 1349587110 /nfs/dbraw/zinc/58/71/10/1349587110.db2.gz YOBCOZITWJOXFL-JTQLQIEISA-N -1 3 334.380 2.292 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC001592757024 1349713645 /nfs/dbraw/zinc/71/36/45/1349713645.db2.gz GSNULSVQAQTYRP-JTQLQIEISA-N -1 3 337.343 2.109 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC001592757024 1349713648 /nfs/dbraw/zinc/71/36/48/1349713648.db2.gz GSNULSVQAQTYRP-JTQLQIEISA-N -1 3 337.343 2.109 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC001592758660 1349714047 /nfs/dbraw/zinc/71/40/47/1349714047.db2.gz ZYCAVZMRNWBUJZ-QPJJXVBHSA-N -1 3 337.343 2.482 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC001592758660 1349714052 /nfs/dbraw/zinc/71/40/52/1349714052.db2.gz ZYCAVZMRNWBUJZ-QPJJXVBHSA-N -1 3 337.343 2.482 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001593294914 1349769172 /nfs/dbraw/zinc/76/91/72/1349769172.db2.gz RAJOXMSYTFUBQL-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001593294914 1349769175 /nfs/dbraw/zinc/76/91/75/1349769175.db2.gz RAJOXMSYTFUBQL-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)CC1CCCC1 ZINC001593470951 1349805893 /nfs/dbraw/zinc/80/58/93/1349805893.db2.gz RRJQJCXHOFHFTF-GFCCVEGCSA-N -1 3 333.348 2.095 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)CC1CCCC1 ZINC001593470951 1349805899 /nfs/dbraw/zinc/80/58/99/1349805899.db2.gz RRJQJCXHOFHFTF-GFCCVEGCSA-N -1 3 333.348 2.095 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CSc2ccccc21 ZINC001593470560 1349806242 /nfs/dbraw/zinc/80/62/42/1349806242.db2.gz IMHRGEYSMQRWFQ-JTQLQIEISA-N -1 3 341.356 2.429 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CSc2ccccc21 ZINC001593470560 1349806244 /nfs/dbraw/zinc/80/62/44/1349806244.db2.gz IMHRGEYSMQRWFQ-JTQLQIEISA-N -1 3 341.356 2.429 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1 ZINC001593479105 1349811747 /nfs/dbraw/zinc/81/17/47/1349811747.db2.gz UFAQBROQIDDEHB-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1 ZINC001593479105 1349811752 /nfs/dbraw/zinc/81/17/52/1349811752.db2.gz UFAQBROQIDDEHB-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@]2(CCSC2)C1 ZINC001593480274 1349813446 /nfs/dbraw/zinc/81/34/46/1349813446.db2.gz HWOUMZLCALQNMG-OAHLLOKOSA-N -1 3 346.416 2.498 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@]2(CCSC2)C1 ZINC001593480274 1349813449 /nfs/dbraw/zinc/81/34/49/1349813449.db2.gz HWOUMZLCALQNMG-OAHLLOKOSA-N -1 3 346.416 2.498 20 5 EEBDHM O=C([O-])c1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001602235878 1350473115 /nfs/dbraw/zinc/47/31/15/1350473115.db2.gz CWMJQMFUSJGOTL-CYBMUJFWSA-N -1 3 344.327 2.152 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603462821 1350709125 /nfs/dbraw/zinc/70/91/25/1350709125.db2.gz AXRHHCUZTOZOKZ-TVQRCGJNSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]1(F)Cl ZINC001603800586 1350771521 /nfs/dbraw/zinc/77/15/21/1350771521.db2.gz PJSQUKRJUWVORI-NWDGAFQWSA-N -1 3 341.734 2.287 20 5 EEBDHM C[C@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@]1(F)Cl ZINC001603800586 1350771523 /nfs/dbraw/zinc/77/15/23/1350771523.db2.gz PJSQUKRJUWVORI-NWDGAFQWSA-N -1 3 341.734 2.287 20 5 EEBDHM COc1ccncc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605338271 1351139680 /nfs/dbraw/zinc/13/96/80/1351139680.db2.gz FEQOVUDJUOTCEX-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccncc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605338271 1351139684 /nfs/dbraw/zinc/13/96/84/1351139684.db2.gz FEQOVUDJUOTCEX-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM Cc1n[nH]cc1CCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605733729 1351219508 /nfs/dbraw/zinc/21/95/08/1351219508.db2.gz KBWXNFBPHXTZOO-UHFFFAOYSA-N -1 3 342.363 2.160 20 5 EEBDHM Cc1n[nH]cc1CCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605733729 1351219511 /nfs/dbraw/zinc/21/95/11/1351219511.db2.gz KBWXNFBPHXTZOO-UHFFFAOYSA-N -1 3 342.363 2.160 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1nnn[n-]1 ZINC001606450903 1351304582 /nfs/dbraw/zinc/30/45/82/1351304582.db2.gz BCRPWLQRUVIOPF-BBBLOLIVSA-N -1 3 329.364 2.205 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1nn[n-]n1 ZINC001606450903 1351304583 /nfs/dbraw/zinc/30/45/83/1351304583.db2.gz BCRPWLQRUVIOPF-BBBLOLIVSA-N -1 3 329.364 2.205 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001607076975 1351407205 /nfs/dbraw/zinc/40/72/05/1351407205.db2.gz DVEFKNIKKRNESD-ITMYJUKJSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001607076975 1351407206 /nfs/dbraw/zinc/40/72/06/1351407206.db2.gz DVEFKNIKKRNESD-ITMYJUKJSA-N -1 3 348.338 2.284 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CC3CCC2CC3)c(-c2nnn[n-]2)c1 ZINC001607086502 1351412676 /nfs/dbraw/zinc/41/26/76/1351412676.db2.gz MMGKBPMSZBHKDY-VQXHTEKXSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2CC3CCC2CC3)c(-c2nn[n-]n2)c1 ZINC001607086502 1351412677 /nfs/dbraw/zinc/41/26/77/1351412677.db2.gz MMGKBPMSZBHKDY-VQXHTEKXSA-N -1 3 329.364 2.408 20 5 EEBDHM Cc1oc(C)c(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001094662002 796497801 /nfs/dbraw/zinc/49/78/01/796497801.db2.gz UFVVYGRHRFHFNE-UHFFFAOYSA-N -1 3 348.359 2.446 20 5 EEBDHM O=C(Oc1ccc2c(c1)OCCO2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916862049 797920539 /nfs/dbraw/zinc/92/05/39/797920539.db2.gz YTSUSURMGPSTIN-UHFFFAOYSA-N -1 3 341.279 2.462 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1C=CC=CC=C1 ZINC001110247836 800922941 /nfs/dbraw/zinc/92/29/41/800922941.db2.gz HYWIEYHXDYTUJJ-UHFFFAOYSA-N -1 3 342.355 2.055 20 5 EEBDHM O=C([N-]Cc1nc2cccnc2[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000793932593 810595247 /nfs/dbraw/zinc/59/52/47/810595247.db2.gz PGYPKGGAIBMRNT-UHFFFAOYSA-N -1 3 347.281 2.274 20 5 EEBDHM Cc1ccncc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826315172 947921252 /nfs/dbraw/zinc/92/12/52/947921252.db2.gz AGHHNCBHEYOBMJ-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM Cc1ccncc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826315172 947921261 /nfs/dbraw/zinc/92/12/61/947921261.db2.gz AGHHNCBHEYOBMJ-VIFPVBQESA-N -1 3 326.320 2.046 20 5 EEBDHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC001594167243 998644405 /nfs/dbraw/zinc/64/44/05/998644405.db2.gz MTDKEZBXICYUFG-IAQYHMDHSA-N -1 3 330.344 2.211 20 5 EEBDHM CCOc1cccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])n1 ZINC001324574458 1126172091 /nfs/dbraw/zinc/17/20/91/1126172091.db2.gz FMIHVBWFPYSFSX-AWEZNQCLSA-N -1 3 345.355 2.174 20 5 EEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000055215250 214289348 /nfs/dbraw/zinc/28/93/48/214289348.db2.gz AIGWCEDROHLJFA-VIFPVBQESA-N -1 3 325.321 2.168 20 5 EEBDHM Cc1ccncc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451886039 243290730 /nfs/dbraw/zinc/29/07/30/243290730.db2.gz YCOZQHFYPNSLQG-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000160138974 533057889 /nfs/dbraw/zinc/05/78/89/533057889.db2.gz AOMODKUIAKNPAX-UHFFFAOYSA-N -1 3 326.374 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Cc1ccc([O-])c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000345925351 161343019 /nfs/dbraw/zinc/34/30/19/161343019.db2.gz JPWPXRMONHGHLJ-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000359973583 164207167 /nfs/dbraw/zinc/20/71/67/164207167.db2.gz BKAIGHOGZFVCMG-JTQLQIEISA-N -1 3 349.840 2.257 20 5 EEBDHM CN(C)CCN(Cc1ccco1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272686954 269008807 /nfs/dbraw/zinc/00/88/07/269008807.db2.gz PIKNBIYLJGZWIW-UHFFFAOYSA-N -1 3 333.344 2.097 20 5 EEBDHM CSCCO[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000280129211 269330544 /nfs/dbraw/zinc/33/05/44/269330544.db2.gz WLCFKCIKYDGWLF-UHFFFAOYSA-N -1 3 335.179 2.382 20 5 EEBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000272477130 274173297 /nfs/dbraw/zinc/17/32/97/274173297.db2.gz GCUKWBXWQNSYPO-SECBINFHSA-N -1 3 343.330 2.106 20 5 EEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000416568989 313261078 /nfs/dbraw/zinc/26/10/78/313261078.db2.gz XSYBEQSXEDUMIK-STQMWFEESA-N -1 3 340.401 2.139 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2csnn2)cc1C ZINC000416631101 313279812 /nfs/dbraw/zinc/27/98/12/313279812.db2.gz JIBCTKGNWHTDCW-SECBINFHSA-N -1 3 342.402 2.103 20 5 EEBDHM CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)cc1 ZINC000436733734 314993218 /nfs/dbraw/zinc/99/32/18/314993218.db2.gz IWCPYPVHYMCJLV-OAHLLOKOSA-N -1 3 347.346 2.472 20 5 EEBDHM C[C@@H]1C[C@H]1N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000576994413 320222820 /nfs/dbraw/zinc/22/28/20/320222820.db2.gz OLRZJCQLQUULNS-YWPYICTPSA-N -1 3 333.388 2.460 20 5 EEBDHM COc1ccc([N-]C(=O)c2cn(CCC(C)C)nn2)c([N+](=O)[O-])c1 ZINC000127582421 462566246 /nfs/dbraw/zinc/56/62/46/462566246.db2.gz BUVPUHCUEIPYEE-UHFFFAOYSA-N -1 3 333.348 2.493 20 5 EEBDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046036714 462640282 /nfs/dbraw/zinc/64/02/82/462640282.db2.gz PISDIGODHMNKCP-TZMCWYRMSA-N -1 3 342.417 2.468 20 5 EEBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134120713 463006259 /nfs/dbraw/zinc/00/62/59/463006259.db2.gz KNCXVNNHZKVPQL-UHFFFAOYSA-N -1 3 344.249 2.463 20 5 EEBDHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025252583 463115641 /nfs/dbraw/zinc/11/56/41/463115641.db2.gz HCFOVJGMYSDDTM-HNNXBMFYSA-N -1 3 341.367 2.305 20 5 EEBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000084043437 463574726 /nfs/dbraw/zinc/57/47/26/463574726.db2.gz SONALXFAZVBUQA-UHFFFAOYSA-N -1 3 328.390 2.462 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186378590 463987720 /nfs/dbraw/zinc/98/77/20/463987720.db2.gz ARKNYNHZBDPHTN-UHFFFAOYSA-N -1 3 332.381 2.349 20 5 EEBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173521062 464276543 /nfs/dbraw/zinc/27/65/43/464276543.db2.gz GHFRXYDTFOKBDP-VIFPVBQESA-N -1 3 334.369 2.216 20 5 EEBDHM CCc1[nH]nc(C(=O)[N-]c2scc(C(=O)OC)c2C)c1[N+](=O)[O-] ZINC000180938408 464422520 /nfs/dbraw/zinc/42/25/20/464422520.db2.gz WROJYLHTXHYGFE-UHFFFAOYSA-N -1 3 338.345 2.289 20 5 EEBDHM CC(C)c1nnc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn21 ZINC000189083098 464430633 /nfs/dbraw/zinc/43/06/33/464430633.db2.gz PGAHVYLIEKCRSR-UHFFFAOYSA-N -1 3 342.315 2.114 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C)c1[N+](=O)[O-] ZINC000190000062 464582700 /nfs/dbraw/zinc/58/27/00/464582700.db2.gz OTINNEXRCJVYTO-LBPRGKRZSA-N -1 3 344.433 2.287 20 5 EEBDHM CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccco1 ZINC000286369805 464894658 /nfs/dbraw/zinc/89/46/58/464894658.db2.gz CGOYVXQEZXCRTQ-UHFFFAOYSA-N -1 3 347.371 2.488 20 5 EEBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295625111 464907384 /nfs/dbraw/zinc/90/73/84/464907384.db2.gz ZMBNHGZJOPBABI-UHFFFAOYSA-N -1 3 345.377 2.020 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)C(F)(F)F ZINC000356711739 465501683 /nfs/dbraw/zinc/50/16/83/465501683.db2.gz VBMDDNYITKQVOJ-MRVPVSSYSA-N -1 3 326.296 2.380 20 5 EEBDHM CSc1nnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[n-]1 ZINC000340269138 465937801 /nfs/dbraw/zinc/93/78/01/465937801.db2.gz RPAJUDGSMCZZMX-UHFFFAOYSA-N -1 3 332.345 2.028 20 5 EEBDHM CSc1n[n-]c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000340269138 465937812 /nfs/dbraw/zinc/93/78/12/465937812.db2.gz RPAJUDGSMCZZMX-UHFFFAOYSA-N -1 3 332.345 2.028 20 5 EEBDHM CSc1nc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[n-]1 ZINC000340269138 465937817 /nfs/dbraw/zinc/93/78/17/465937817.db2.gz RPAJUDGSMCZZMX-UHFFFAOYSA-N -1 3 332.345 2.028 20 5 EEBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000451673522 467266461 /nfs/dbraw/zinc/26/64/61/467266461.db2.gz LAZRTDNBEJNRIW-DGCLKSJQSA-N -1 3 330.406 2.243 20 5 EEBDHM O=C(c1c([O-])cccc1O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436619751 467547489 /nfs/dbraw/zinc/54/74/89/467547489.db2.gz XRWSMKRDPHHGLX-UHFFFAOYSA-N -1 3 330.296 2.041 20 5 EEBDHM COCc1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc([O-])cc1 ZINC000436709701 467551401 /nfs/dbraw/zinc/55/14/01/467551401.db2.gz ZACPVQUFZCLMSF-UHFFFAOYSA-N -1 3 345.355 2.289 20 5 EEBDHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C)C1 ZINC000436792129 467554762 /nfs/dbraw/zinc/55/47/62/467554762.db2.gz MIWCJEVDHVNRBW-HUBLWGQQSA-N -1 3 333.388 2.103 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCCC2)cc1[N+](=O)[O-] ZINC000490681093 468235128 /nfs/dbraw/zinc/23/51/28/468235128.db2.gz KABKSULBZRPSBR-UHFFFAOYSA-N -1 3 332.353 2.211 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000567977904 468248711 /nfs/dbraw/zinc/24/87/11/468248711.db2.gz QCBSHHNKUOGESK-COPLHBTASA-N -1 3 348.403 2.163 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCS[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601452613 468880582 /nfs/dbraw/zinc/88/05/82/468880582.db2.gz LFZIMRVDCROVAY-SCZZXKLOSA-N -1 3 334.394 2.215 20 5 EEBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000598733926 468977880 /nfs/dbraw/zinc/97/78/80/468977880.db2.gz BMGXXLMIQLECKX-LLVKDONJSA-N -1 3 336.373 2.041 20 5 EEBDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610739674 469056554 /nfs/dbraw/zinc/05/65/54/469056554.db2.gz KMZWNKGLHLOLAM-VHSXEESVSA-N -1 3 348.808 2.342 20 5 EEBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588876122 469174736 /nfs/dbraw/zinc/17/47/36/469174736.db2.gz UXFPVIYUTOJVNQ-UHFFFAOYSA-N -1 3 346.368 2.195 20 5 EEBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000612788755 469550441 /nfs/dbraw/zinc/55/04/41/469550441.db2.gz IOXWIEQWHFIRJQ-SECBINFHSA-N -1 3 325.346 2.239 20 5 EEBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000612788759 469550620 /nfs/dbraw/zinc/55/06/20/469550620.db2.gz IOXWIEQWHFIRJQ-VIFPVBQESA-N -1 3 325.346 2.239 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[n-]1 ZINC000619448136 469610130 /nfs/dbraw/zinc/61/01/30/469610130.db2.gz DVRLTVHWJMCXLT-UHFFFAOYSA-N -1 3 343.299 2.228 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c[n-]1 ZINC000619448136 469610133 /nfs/dbraw/zinc/61/01/33/469610133.db2.gz DVRLTVHWJMCXLT-UHFFFAOYSA-N -1 3 343.299 2.228 20 5 EEBDHM COCCOCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000618356136 469974366 /nfs/dbraw/zinc/97/43/66/469974366.db2.gz FKRMVNBEGPXXSJ-UHFFFAOYSA-N -1 3 347.327 2.111 20 5 EEBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnn[n-]1 ZINC000129836847 533751217 /nfs/dbraw/zinc/75/12/17/533751217.db2.gz GWGPSEOZPRJVJR-ZETCQYMHSA-N -1 3 330.270 2.367 20 5 EEBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nn[n-]n1 ZINC000129836847 533751225 /nfs/dbraw/zinc/75/12/25/533751225.db2.gz GWGPSEOZPRJVJR-ZETCQYMHSA-N -1 3 330.270 2.367 20 5 EEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]OCc1cccnc1 ZINC000153240557 534358738 /nfs/dbraw/zinc/35/87/38/534358738.db2.gz USHICNGRTJKQGV-UHFFFAOYSA-N -1 3 330.344 2.430 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000738165272 578002187 /nfs/dbraw/zinc/00/21/87/578002187.db2.gz AZJGVZBTMFIRPX-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000738165272 578002188 /nfs/dbraw/zinc/00/21/88/578002188.db2.gz AZJGVZBTMFIRPX-UHFFFAOYSA-N -1 3 346.253 2.305 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000738167749 578002229 /nfs/dbraw/zinc/00/22/29/578002229.db2.gz TXHDXQPJOIJMMP-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])s1 ZINC000738167749 578002230 /nfs/dbraw/zinc/00/22/30/578002230.db2.gz TXHDXQPJOIJMMP-UHFFFAOYSA-N -1 3 334.292 2.228 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000738370565 578011270 /nfs/dbraw/zinc/01/12/70/578011270.db2.gz VZOLCZYBABCDEN-NSHDSACASA-N -1 3 327.304 2.104 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccco2)c(-c2nn[n-]n2)c1 ZINC000738370565 578011271 /nfs/dbraw/zinc/01/12/71/578011271.db2.gz VZOLCZYBABCDEN-NSHDSACASA-N -1 3 327.304 2.104 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCNc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738373322 578011441 /nfs/dbraw/zinc/01/14/41/578011441.db2.gz AETJUACKAJCYGS-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCCNc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738373322 578011442 /nfs/dbraw/zinc/01/14/42/578011442.db2.gz AETJUACKAJCYGS-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM CN(C)CCOc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000732135485 577150673 /nfs/dbraw/zinc/15/06/73/577150673.db2.gz SYKUIQVOUIQBFF-UHFFFAOYSA-N -1 3 332.360 2.140 20 5 EEBDHM CCOCCO[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000775245864 577433481 /nfs/dbraw/zinc/43/34/81/577433481.db2.gz WXUDYBRJAKKPOR-UHFFFAOYSA-N -1 3 333.138 2.055 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC2CCC2)c1C ZINC000765194729 577496901 /nfs/dbraw/zinc/49/69/01/577496901.db2.gz NMUPMYCRCIPVBI-UHFFFAOYSA-N -1 3 328.390 2.059 20 5 EEBDHM NC(=O)c1sccc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763507729 577722078 /nfs/dbraw/zinc/72/20/78/577722078.db2.gz CCDMAYQPCBNFGY-UHFFFAOYSA-N -1 3 327.268 2.286 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735798424 578168366 /nfs/dbraw/zinc/16/83/66/578168366.db2.gz WMXSGTKJKRVFPX-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735798424 578168367 /nfs/dbraw/zinc/16/83/67/578168367.db2.gz WMXSGTKJKRVFPX-OAHLLOKOSA-N -1 3 334.380 2.374 20 5 EEBDHM CCOC(=O)C[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736594196 578213634 /nfs/dbraw/zinc/21/36/34/578213634.db2.gz OLHPVKCREOILAU-MRVPVSSYSA-N -1 3 337.361 2.209 20 5 EEBDHM CCOC(=O)C[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736594196 578213635 /nfs/dbraw/zinc/21/36/35/578213635.db2.gz OLHPVKCREOILAU-MRVPVSSYSA-N -1 3 337.361 2.209 20 5 EEBDHM O=C(OCc1cc(=O)c([O-])co1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736818573 578225530 /nfs/dbraw/zinc/22/55/30/578225530.db2.gz JPUDDCISWLXYCL-UHFFFAOYSA-N -1 3 325.660 2.264 20 5 EEBDHM CCn1nc(C)c(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000821568233 599060976 /nfs/dbraw/zinc/06/09/76/599060976.db2.gz MPPKIUNIDIDUEO-UHFFFAOYSA-N -1 3 328.336 2.352 20 5 EEBDHM CCn1nc(C)c(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000821568233 599060978 /nfs/dbraw/zinc/06/09/78/599060978.db2.gz MPPKIUNIDIDUEO-UHFFFAOYSA-N -1 3 328.336 2.352 20 5 EEBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397504 599506927 /nfs/dbraw/zinc/50/69/27/599506927.db2.gz PKGGTKBHZIPLLT-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397504 599506928 /nfs/dbraw/zinc/50/69/28/599506928.db2.gz PKGGTKBHZIPLLT-JTQLQIEISA-N -1 3 338.327 2.266 20 5 EEBDHM Cc1ccccc1[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822352177 606139432 /nfs/dbraw/zinc/13/94/32/606139432.db2.gz VVGQKCHKWCIISB-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccccc1[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822352177 606139434 /nfs/dbraw/zinc/13/94/34/606139434.db2.gz VVGQKCHKWCIISB-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623482 606242975 /nfs/dbraw/zinc/24/29/75/606242975.db2.gz RUNPAZUGOTUOJA-ZFWWWQNUSA-N -1 3 332.364 2.128 20 5 EEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623482 606242976 /nfs/dbraw/zinc/24/29/76/606242976.db2.gz RUNPAZUGOTUOJA-ZFWWWQNUSA-N -1 3 332.364 2.128 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000821846696 606417404 /nfs/dbraw/zinc/41/74/04/606417404.db2.gz XPIPYVNOSBUMEJ-UHFFFAOYSA-N -1 3 346.372 2.135 20 5 EEBDHM Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000822258909 606461737 /nfs/dbraw/zinc/46/17/37/606461737.db2.gz HFBKNPUYQKCJJV-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1 ZINC000822258909 606461738 /nfs/dbraw/zinc/46/17/38/606461738.db2.gz HFBKNPUYQKCJJV-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM O=[N+]([O-])c1ccc(Nc2cccc(-n3ccnn3)c2)c(-c2nnn[n-]2)c1 ZINC000823645487 607133741 /nfs/dbraw/zinc/13/37/41/607133741.db2.gz RDIITEBYEYWRRW-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=[N+]([O-])c1ccc(Nc2cccc(-n3ccnn3)c2)c(-c2nn[n-]n2)c1 ZINC000823645487 607133742 /nfs/dbraw/zinc/13/37/42/607133742.db2.gz RDIITEBYEYWRRW-UHFFFAOYSA-N -1 3 349.314 2.099 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498508 607873506 /nfs/dbraw/zinc/87/35/06/607873506.db2.gz YDYLONKQVQPEKU-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498508 607873507 /nfs/dbraw/zinc/87/35/07/607873507.db2.gz YDYLONKQVQPEKU-CYBMUJFWSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000826497803 609321703 /nfs/dbraw/zinc/32/17/03/609321703.db2.gz VLMLXILDEXJSOE-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000826497803 609321705 /nfs/dbraw/zinc/32/17/05/609321705.db2.gz VLMLXILDEXJSOE-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c(C)o1 ZINC001059150449 682687248 /nfs/dbraw/zinc/68/72/48/682687248.db2.gz KCVDHNKFUMVHRY-XYPYZODXSA-N -1 3 346.343 2.278 20 5 EEBDHM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001059214075 683299427 /nfs/dbraw/zinc/29/94/27/683299427.db2.gz HGWZPBNJWAOYQW-XYPYZODXSA-N -1 3 334.376 2.191 20 5 EEBDHM CCc1ccoc1C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095724045 1205937898 /nfs/dbraw/zinc/93/78/98/1205937898.db2.gz KBVIMLXBPQILMS-UHFFFAOYSA-N -1 3 348.359 2.107 20 5 EEBDHM CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111262058 1208498490 /nfs/dbraw/zinc/49/84/90/1208498490.db2.gz YOVHDGSDXVFFTL-CLLJXQQHSA-N -1 3 348.403 2.359 20 5 EEBDHM O=C(c1ccccc1[O-])N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001057087087 1241688338 /nfs/dbraw/zinc/68/83/38/1241688338.db2.gz JAXZAJITVDBJOF-UHFFFAOYSA-N -1 3 342.355 2.048 20 5 EEBDHM CC1(CC(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCCC1 ZINC001055785489 1250812116 /nfs/dbraw/zinc/81/21/16/1250812116.db2.gz KEWDZUGSRUOCSH-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM Cc1cc(C)c(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001101553167 1299687178 /nfs/dbraw/zinc/68/71/78/1299687178.db2.gz FVKRSXLNKINOPT-UHFFFAOYSA-N -1 3 334.332 2.089 20 5 EEBDHM CC(=O)c1ccc([O-])c(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])c1O ZINC001226482791 1301431062 /nfs/dbraw/zinc/43/10/62/1301431062.db2.gz QLHDWEKEJHPQEZ-QMMMGPOBSA-N -1 3 335.316 2.181 20 5 EEBDHM Cc1cc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ccc1[N+](=O)[O-] ZINC001310488477 1331693063 /nfs/dbraw/zinc/69/30/63/1331693063.db2.gz QIEWXEABDCIYLO-UHFFFAOYSA-N -1 3 335.345 2.009 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001609336191 1351937208 /nfs/dbraw/zinc/93/72/08/1351937208.db2.gz XQQVGNQVINIJRG-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001609336191 1351937210 /nfs/dbraw/zinc/93/72/10/1351937210.db2.gz XQQVGNQVINIJRG-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001609336566 1351937960 /nfs/dbraw/zinc/93/79/60/1351937960.db2.gz SXOUZEYWRBAGHI-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001609336566 1351937962 /nfs/dbraw/zinc/93/79/62/1351937962.db2.gz SXOUZEYWRBAGHI-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM CS[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609370186 1351949121 /nfs/dbraw/zinc/94/91/21/1351949121.db2.gz XILHBRVHNJROJU-NXEZZACHSA-N -1 3 335.393 2.256 20 5 EEBDHM CS[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609370186 1351949122 /nfs/dbraw/zinc/94/91/22/1351949122.db2.gz XILHBRVHNJROJU-NXEZZACHSA-N -1 3 335.393 2.256 20 5 EEBDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001609395814 1351959035 /nfs/dbraw/zinc/95/90/35/1351959035.db2.gz IXKUIWKNQOTYCK-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001609395814 1351959038 /nfs/dbraw/zinc/95/90/38/1351959038.db2.gz IXKUIWKNQOTYCK-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@H]2Cc3ccccc3O2)ccc1-c1nnn[n-]1 ZINC001609600989 1352030731 /nfs/dbraw/zinc/03/07/31/1352030731.db2.gz MUXFIOFBYUGGLE-GFCCVEGCSA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1cc(Nc2cccc(CCCO)c2)ccc1-c1nnn[n-]1 ZINC001609601024 1352030964 /nfs/dbraw/zinc/03/09/64/1352030964.db2.gz NUXBXECNBWZIDM-UHFFFAOYSA-N -1 3 340.343 2.443 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc(Cl)ccn1 ZINC001609601548 1352031049 /nfs/dbraw/zinc/03/10/49/1352031049.db2.gz NAWBABMUZPUWAG-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)ccn1 ZINC001609601548 1352031053 /nfs/dbraw/zinc/03/10/53/1352031053.db2.gz NAWBABMUZPUWAG-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM COc1cc(Oc2ncc([N+](=O)[O-])cc2F)ccc1-c1nnn[n-]1 ZINC001579937545 1344436704 /nfs/dbraw/zinc/43/67/04/1344436704.db2.gz PDDFMNSIGMPKEJ-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM COc1cc(Oc2ncc([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1 ZINC001579937545 1344436706 /nfs/dbraw/zinc/43/67/06/1344436706.db2.gz PDDFMNSIGMPKEJ-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM CC(C)[C@@H](CO)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001589460411 1348992090 /nfs/dbraw/zinc/99/20/90/1348992090.db2.gz PQSSBAVGRZZGPV-HIFRSBDPSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@@H](CO)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001589460411 1348992095 /nfs/dbraw/zinc/99/20/95/1348992095.db2.gz PQSSBAVGRZZGPV-HIFRSBDPSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@H](CO)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001589460413 1348992437 /nfs/dbraw/zinc/99/24/37/1348992437.db2.gz PQSSBAVGRZZGPV-ZFWWWQNUSA-N -1 3 348.407 2.476 20 5 EEBDHM CC(C)[C@H](CO)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001589460413 1348992438 /nfs/dbraw/zinc/99/24/38/1348992438.db2.gz PQSSBAVGRZZGPV-ZFWWWQNUSA-N -1 3 348.407 2.476 20 5 EEBDHM C[C@@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589902230 1349058394 /nfs/dbraw/zinc/05/83/94/1349058394.db2.gz LAXQKNNDWVDJTA-JTQLQIEISA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589902230 1349058398 /nfs/dbraw/zinc/05/83/98/1349058398.db2.gz LAXQKNNDWVDJTA-JTQLQIEISA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590024742 1349114244 /nfs/dbraw/zinc/11/42/44/1349114244.db2.gz IOVIKUPWHZPGDR-JTQLQIEISA-N -1 3 341.327 2.407 20 5 EEBDHM C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590024742 1349114247 /nfs/dbraw/zinc/11/42/47/1349114247.db2.gz IOVIKUPWHZPGDR-JTQLQIEISA-N -1 3 341.327 2.407 20 5 EEBDHM C[C@@]1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C=CCC1 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SFVDFBKHOXBBRJ-UHFFFAOYSA-N -1 3 326.316 2.245 20 5 EEBDHM Cc1nc(NCCc2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001592391543 1349627099 /nfs/dbraw/zinc/62/70/99/1349627099.db2.gz OAFXKLDCXHTIGN-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1nc(NCCc2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001592391543 1349627103 /nfs/dbraw/zinc/62/71/03/1349627103.db2.gz OAFXKLDCXHTIGN-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCc3ccc(F)cc32)c1-c1nnn[n-]1 ZINC001592756588 1349712642 /nfs/dbraw/zinc/71/26/42/1349712642.db2.gz CKUNDEVTGMZIPG-UHFFFAOYSA-N -1 3 341.306 2.190 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCc3ccc(F)cc32)c1-c1nn[n-]n1 ZINC001592756588 1349712644 /nfs/dbraw/zinc/71/26/44/1349712644.db2.gz CKUNDEVTGMZIPG-UHFFFAOYSA-N -1 3 341.306 2.190 20 5 EEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001593301216 1349772932 /nfs/dbraw/zinc/77/29/32/1349772932.db2.gz OFZRQTWOCHHSKO-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001593301216 1349772933 /nfs/dbraw/zinc/77/29/33/1349772933.db2.gz OFZRQTWOCHHSKO-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001593477718 1349810255 /nfs/dbraw/zinc/81/02/55/1349810255.db2.gz AXRCRNZJQJACAY-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001593477718 1349810261 /nfs/dbraw/zinc/81/02/61/1349810261.db2.gz AXRCRNZJQJACAY-CQSZACIVSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1nc3c(cc1-c1nnn[n-]1)CCC3)C2 ZINC001593479621 1349811374 /nfs/dbraw/zinc/81/13/74/1349811374.db2.gz NWIGTKNHZDNERW-UHFFFAOYSA-N -1 3 349.354 2.179 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1nc3c(cc1-c1nn[n-]n1)CCC3)C2 ZINC001593479621 1349811379 /nfs/dbraw/zinc/81/13/79/1349811379.db2.gz NWIGTKNHZDNERW-UHFFFAOYSA-N -1 3 349.354 2.179 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCO[C@H]1CCCCO1 ZINC001593481550 1349813028 /nfs/dbraw/zinc/81/30/28/1349813028.db2.gz RNAVIZRWKUEQJN-ZDUSSCGKSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCO[C@H]1CCCCO1 ZINC001593481550 1349813031 /nfs/dbraw/zinc/81/30/31/1349813031.db2.gz RNAVIZRWKUEQJN-ZDUSSCGKSA-N -1 3 348.363 2.120 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2cccc3cc[nH]c32)c(-c2nnn[n-]2)c1 ZINC001593484882 1349814656 /nfs/dbraw/zinc/81/46/56/1349814656.db2.gz LUJLPQWPAVGYJD-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2cccc3cc[nH]c32)c(-c2nn[n-]n2)c1 ZINC001593484882 1349814658 /nfs/dbraw/zinc/81/46/58/1349814658.db2.gz LUJLPQWPAVGYJD-UHFFFAOYSA-N -1 3 336.315 2.263 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC001593485347 1349814767 /nfs/dbraw/zinc/81/47/67/1349814767.db2.gz RXGISSSOSXDAFD-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC001593485347 1349814775 /nfs/dbraw/zinc/81/47/75/1349814775.db2.gz RXGISSSOSXDAFD-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCOCC1 ZINC001603151195 1350650923 /nfs/dbraw/zinc/65/09/23/1350650923.db2.gz HRPJTKHEMOUIAX-UHFFFAOYSA-N -1 3 347.379 2.035 20 5 EEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCOCC1 ZINC001603151195 1350650926 /nfs/dbraw/zinc/65/09/26/1350650926.db2.gz HRPJTKHEMOUIAX-UHFFFAOYSA-N -1 3 347.379 2.035 20 5 EEBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001604064372 1350844207 /nfs/dbraw/zinc/84/42/07/1350844207.db2.gz RMZOWQBGKYHELL-MFKMUULPSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001604064372 1350844211 /nfs/dbraw/zinc/84/42/11/1350844211.db2.gz RMZOWQBGKYHELL-MFKMUULPSA-N -1 3 332.364 2.392 20 5 EEBDHM CO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001605025463 1351059371 /nfs/dbraw/zinc/05/93/71/1351059371.db2.gz WWZDVKCOYCDOEG-STQMWFEESA-N -1 3 330.348 2.144 20 5 EEBDHM CO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001605025463 1351059375 /nfs/dbraw/zinc/05/93/75/1351059375.db2.gz WWZDVKCOYCDOEG-STQMWFEESA-N -1 3 330.348 2.144 20 5 EEBDHM COc1ccc(CNc2cc(C)c(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001605285302 1351124494 /nfs/dbraw/zinc/12/44/94/1351124494.db2.gz FVNQHULCVJEUCR-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1ccc(CNc2cc(C)c(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001605285302 1351124496 /nfs/dbraw/zinc/12/44/96/1351124496.db2.gz FVNQHULCVJEUCR-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cscc1-c1nnn[n-]1 ZINC001606973576 1351389271 /nfs/dbraw/zinc/38/92/71/1351389271.db2.gz KUJVWGHEZLNCJI-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cscc1-c1nn[n-]n1 ZINC001606973576 1351389276 /nfs/dbraw/zinc/38/92/76/1351389276.db2.gz KUJVWGHEZLNCJI-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001606990657 1351394324 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PORJPKFSDPVDAW-OAHLLOKOSA-N -1 3 337.282 2.391 20 5 EEBDHM COc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001591638569 1403933033 /nfs/dbraw/zinc/93/30/33/1403933033.db2.gz WOXPODDAOMSEFX-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM COc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001591638569 1403933051 /nfs/dbraw/zinc/93/30/51/1403933051.db2.gz WOXPODDAOMSEFX-UHFFFAOYSA-N -1 3 341.283 2.003 20 5 EEBDHM Cc1c(F)cccc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100373205 1410644160 /nfs/dbraw/zinc/64/41/60/1410644160.db2.gz SGYYUVFMOWDVAF-UHFFFAOYSA-N -1 3 348.334 2.009 20 5 EEBDHM O=C(C=C1CCC1)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127614111 775431632 /nfs/dbraw/zinc/43/16/32/775431632.db2.gz LTYSRKVIOBPOTP-UHFFFAOYSA-N -1 3 344.371 2.058 20 5 EEBDHM CC(F)(F)CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091400926 790562384 /nfs/dbraw/zinc/56/23/84/790562384.db2.gz YVDQWOXLISYKKS-DTORHVGOSA-N -1 3 344.318 2.047 20 5 EEBDHM CC1(C)CC(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001107177642 786249207 /nfs/dbraw/zinc/24/92/07/786249207.db2.gz QSQPIOYSDAXIDK-ARJAWSKDSA-N -1 3 334.376 2.216 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001109606395 805758819 /nfs/dbraw/zinc/75/88/19/805758819.db2.gz CNLFRWTYRUJZPA-UHFFFAOYSA-N -1 3 332.307 2.001 20 5 EEBDHM NCc1nc(=O)[n-]n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001168761946 788234722 /nfs/dbraw/zinc/23/47/22/788234722.db2.gz ZVUXCRBMWWKCAM-UHFFFAOYSA-N -1 3 343.368 2.491 20 5 EEBDHM Cc1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001094413762 796201152 /nfs/dbraw/zinc/20/11/52/796201152.db2.gz RFQDSUMMAVFKQW-UHFFFAOYSA-N -1 3 330.344 2.236 20 5 EEBDHM O=C(NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1[O-] ZINC001110075943 806499808 /nfs/dbraw/zinc/49/98/08/806499808.db2.gz WSOXSKQCTXVBSR-UHFFFAOYSA-N -1 3 328.328 2.070 20 5 EEBDHM O=C(CC1CC(F)(F)C1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094640794 796510677 /nfs/dbraw/zinc/51/06/77/796510677.db2.gz GXDZQANXGJGFHF-UHFFFAOYSA-N -1 3 344.318 2.049 20 5 EEBDHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001593304982 994756981 /nfs/dbraw/zinc/75/69/81/994756981.db2.gz SLXZWIBBOWBJCT-LLVKDONJSA-N -1 3 345.355 2.491 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)C(C)(C)C)cc1C ZINC000178562959 232258962 /nfs/dbraw/zinc/25/89/62/232258962.db2.gz UNVIXWHIQGQIHT-CQSZACIVSA-N -1 3 344.433 2.287 20 5 EEBDHM CN(C)Cc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000159971493 237226748 /nfs/dbraw/zinc/22/67/48/237226748.db2.gz ZLNMYJYCIOCKTN-UHFFFAOYSA-N -1 3 329.356 2.292 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c(Cl)c1 ZINC000190638918 152212984 /nfs/dbraw/zinc/21/29/84/152212984.db2.gz ABSMTOKRXSQDRG-JLLWLGSASA-N -1 3 346.792 2.094 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000073435449 286352318 /nfs/dbraw/zinc/35/23/18/286352318.db2.gz 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ZINC000736740810 578221524 /nfs/dbraw/zinc/22/15/24/578221524.db2.gz FPWWSJUKDKYXLQ-UHFFFAOYSA-N -1 3 342.290 2.191 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNCc1cccc(-c2nnn[n-]2)c1 ZINC000737114078 578238962 /nfs/dbraw/zinc/23/89/62/578238962.db2.gz CVJUWDXHYKOWOC-UHFFFAOYSA-N -1 3 340.343 2.073 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1CNCc1cccc(-c2nn[n-]n2)c1 ZINC000737114078 578238963 /nfs/dbraw/zinc/23/89/63/578238963.db2.gz CVJUWDXHYKOWOC-UHFFFAOYSA-N -1 3 340.343 2.073 20 5 EEBDHM Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822077877 607268934 /nfs/dbraw/zinc/26/89/34/607268934.db2.gz ZYIGORKNACPYNR-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822077877 607268935 /nfs/dbraw/zinc/26/89/35/607268935.db2.gz ZYIGORKNACPYNR-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000823635495 607327788 /nfs/dbraw/zinc/32/77/88/607327788.db2.gz YCYZCOXISLMMIF-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cc(F)cc(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000823635495 607327789 /nfs/dbraw/zinc/32/77/89/607327789.db2.gz YCYZCOXISLMMIF-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM COc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821720182 599471901 /nfs/dbraw/zinc/47/19/01/599471901.db2.gz OPTDWESIKMPBKR-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821720182 599471902 /nfs/dbraw/zinc/47/19/02/599471902.db2.gz OPTDWESIKMPBKR-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820728374 599512991 /nfs/dbraw/zinc/51/29/91/599512991.db2.gz VGYUVOCNDOAAGW-VIFPVBQESA-N -1 3 325.332 2.169 20 5 EEBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820728374 599512993 /nfs/dbraw/zinc/51/29/93/599512993.db2.gz VGYUVOCNDOAAGW-VIFPVBQESA-N -1 3 325.332 2.169 20 5 EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823414570 606569637 /nfs/dbraw/zinc/56/96/37/606569637.db2.gz ZLJGJZBHPARLPJ-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823414570 606569638 /nfs/dbraw/zinc/56/96/38/606569638.db2.gz ZLJGJZBHPARLPJ-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM Cc1cnc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822399250 607010700 /nfs/dbraw/zinc/01/07/00/607010700.db2.gz DCOFRFLSRMGJHK-UHFFFAOYSA-N -1 3 330.279 2.196 20 5 EEBDHM Cc1cnc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822399250 607010701 /nfs/dbraw/zinc/01/07/01/607010701.db2.gz DCOFRFLSRMGJHK-UHFFFAOYSA-N -1 3 330.279 2.196 20 5 EEBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nnn[n-]3)cc2F)nc2sccn21 ZINC000823629610 607129452 /nfs/dbraw/zinc/12/94/52/607129452.db2.gz BPNSHLOJUNXZTF-UHFFFAOYSA-N -1 3 347.291 2.416 20 5 EEBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2F)nc2sccn21 ZINC000823629610 607129454 /nfs/dbraw/zinc/12/94/54/607129454.db2.gz BPNSHLOJUNXZTF-UHFFFAOYSA-N -1 3 347.291 2.416 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823651462 607130800 /nfs/dbraw/zinc/13/08/00/607130800.db2.gz KSFSMSRFNUHCDM-JTQLQIEISA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCOC3(CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823651462 607130802 /nfs/dbraw/zinc/13/08/02/607130802.db2.gz KSFSMSRFNUHCDM-JTQLQIEISA-N -1 3 345.363 2.074 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823647479 607171977 /nfs/dbraw/zinc/17/19/77/607171977.db2.gz KNZSIWLTXBPLJW-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823647479 607171978 /nfs/dbraw/zinc/17/19/78/607171978.db2.gz KNZSIWLTXBPLJW-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM COc1c([O-])ccc(CN(CCCO)CC(F)(F)F)c1[N+](=O)[O-] ZINC000891921103 677703068 /nfs/dbraw/zinc/70/30/68/677703068.db2.gz NFDCEBHNHTXLLU-UHFFFAOYSA-N -1 3 338.282 2.056 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001105529464 1188149356 /nfs/dbraw/zinc/14/93/56/1188149356.db2.gz XETRBKXVIOWDCA-UHFFFAOYSA-N -1 3 348.403 2.170 20 5 EEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc([O-])c(F)c1 ZINC000132668524 1202117022 /nfs/dbraw/zinc/11/70/22/1202117022.db2.gz APHRIAWSMPGJAB-UHFFFAOYSA-N -1 3 338.266 2.274 20 5 EEBDHM O=C([N-]c1nc[nH]n1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000135948449 1202422050 /nfs/dbraw/zinc/42/20/50/1202422050.db2.gz WOEWUIZYIKASRY-UHFFFAOYSA-N -1 3 346.528 2.381 20 5 EEBDHM CC(=O)N(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC001111279655 1209321776 /nfs/dbraw/zinc/32/17/76/1209321776.db2.gz KQCHFFUPBAQNJG-UHFFFAOYSA-N -1 3 330.344 2.156 20 5 EEBDHM O=C(c1ccsc1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057282540 1243035862 /nfs/dbraw/zinc/03/58/62/1243035862.db2.gz SZLWBFPMNQBBCV-UHFFFAOYSA-N -1 3 348.384 2.474 20 5 EEBDHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C(F)F ZINC001097251545 1243896453 /nfs/dbraw/zinc/89/64/53/1243896453.db2.gz WNJXJCWJBPVIOI-OCAPTIKFSA-N -1 3 344.318 2.046 20 5 EEBDHM CCC(CC)CC(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097572266 1244374097 /nfs/dbraw/zinc/37/40/97/1244374097.db2.gz QNMDPUYRSJUMOW-JYAVWHMHSA-N -1 3 348.403 2.073 20 5 EEBDHM CC/C(C)=C\C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112084218 1276810081 /nfs/dbraw/zinc/81/00/81/1276810081.db2.gz PZYHQMWLVYNNKU-QXMHVHEDSA-N -1 3 336.392 2.336 20 5 EEBDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000852146100 1292013108 /nfs/dbraw/zinc/01/31/08/1292013108.db2.gz XSLURVCEFJIPCP-UHFFFAOYSA-N -1 3 347.331 2.332 20 5 EEBDHM C[C@@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225661965 1301115806 /nfs/dbraw/zinc/11/58/06/1301115806.db2.gz POLWFTBCKOXKBX-ZJUUUORDSA-N -1 3 339.348 2.472 20 5 EEBDHM CCOC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001225899476 1301193862 /nfs/dbraw/zinc/19/38/62/1301193862.db2.gz MUFRVZVBGLZTOF-VIFPVBQESA-N -1 3 333.300 2.407 20 5 EEBDHM Cc1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[n-]c(=S)n1 ZINC001226799044 1301559311 /nfs/dbraw/zinc/55/93/11/1301559311.db2.gz PIEHAGNSZMJSDQ-GFCCVEGCSA-N -1 3 335.341 2.199 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1[nH]c(=S)nc3nc[n-]c31)C2 ZINC001227612911 1301908761 /nfs/dbraw/zinc/90/87/61/1301908761.db2.gz LZPGGHGLUFWHIZ-SNVBAGLBSA-N -1 3 329.341 2.096 20 5 EEBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=O)OCc1ccccc1 ZINC001227692314 1301931109 /nfs/dbraw/zinc/93/11/09/1301931109.db2.gz WHORDBZXNNDDEB-JTQLQIEISA-N -1 3 342.311 2.377 20 5 EEBDHM O=[N+]([O-])c1cnc(OC[C@@H]2COc3ccccc3O2)c2[n-]cnc21 ZINC001227693178 1301931627 /nfs/dbraw/zinc/93/16/27/1301931627.db2.gz NKULXJMYXFQDEY-VIFPVBQESA-N -1 3 328.284 2.085 20 5 EEBDHM COC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1F ZINC001228685416 1302378460 /nfs/dbraw/zinc/37/84/60/1302378460.db2.gz HKSSEICKYYNBNH-AWEZNQCLSA-N -1 3 336.275 2.436 20 5 EEBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C 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HOTQOSQHKQMKRU-AWEZNQCLSA-N -1 3 332.364 2.026 20 5 EEBDHM C[C@H](C[C@H](O)c1ccco1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589803767 1349048141 /nfs/dbraw/zinc/04/81/41/1349048141.db2.gz QHVZGGLTSSEAKP-SKDRFNHKSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@H](C[C@H](O)c1ccco1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589803767 1349048144 /nfs/dbraw/zinc/04/81/44/1349048144.db2.gz QHVZGGLTSSEAKP-SKDRFNHKSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO[C@H]1C1CC1 ZINC001590134900 1349170593 /nfs/dbraw/zinc/17/05/93/1349170593.db2.gz CJLFISZFYJZQCS-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC001590134900 1349170598 /nfs/dbraw/zinc/17/05/98/1349170598.db2.gz CJLFISZFYJZQCS-GOEBONIOSA-N -1 3 344.375 2.392 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1Oc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592198646 1349604713 /nfs/dbraw/zinc/60/47/13/1349604713.db2.gz YQYUKOLUXXOPDT-UHFFFAOYSA-N -1 3 343.259 2.179 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1Oc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592198646 1349604717 /nfs/dbraw/zinc/60/47/17/1349604717.db2.gz YQYUKOLUXXOPDT-UHFFFAOYSA-N -1 3 343.259 2.179 20 5 EEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC001593302286 1349774515 /nfs/dbraw/zinc/77/45/15/1349774515.db2.gz NVXBFKBFYYDDTH-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])s1 ZINC001593302286 1349774517 /nfs/dbraw/zinc/77/45/17/1349774517.db2.gz NVXBFKBFYYDDTH-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1COc1ccc(Cl)nc1 ZINC001593468871 1349804511 /nfs/dbraw/zinc/80/45/11/1349804511.db2.gz UJIYNIFDQQQBAN-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1COc1ccc(Cl)nc1 ZINC001593468871 1349804515 /nfs/dbraw/zinc/80/45/15/1349804515.db2.gz UJIYNIFDQQQBAN-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CC1(Cl)Cl ZINC001593470762 1349805695 /nfs/dbraw/zinc/80/56/95/1349805695.db2.gz KYTPSSDCUQWOEC-SSDOTTSWSA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CC1(Cl)Cl ZINC001593470762 1349805698 /nfs/dbraw/zinc/80/56/98/1349805698.db2.gz KYTPSSDCUQWOEC-SSDOTTSWSA-N -1 3 329.147 2.381 20 5 EEBDHM O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(-c3nnn[n-]3)cn2)c1 ZINC001593476236 1349809324 /nfs/dbraw/zinc/80/93/24/1349809324.db2.gz UYJJKHJYKHYLAZ-UHFFFAOYSA-N -1 3 339.237 2.039 20 5 EEBDHM O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(-c3nn[n-]n3)cn2)c1 ZINC001593476236 1349809327 /nfs/dbraw/zinc/80/93/27/1349809327.db2.gz UYJJKHJYKHYLAZ-UHFFFAOYSA-N -1 3 339.237 2.039 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(O)CCCCCC1 ZINC001593476600 1349810776 /nfs/dbraw/zinc/81/07/76/1349810776.db2.gz YXLMQEAWLPGISL-UHFFFAOYSA-N -1 3 332.364 2.272 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(O)CCCCCC1 ZINC001593476600 1349810780 /nfs/dbraw/zinc/81/07/80/1349810780.db2.gz YXLMQEAWLPGISL-UHFFFAOYSA-N -1 3 332.364 2.272 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603231388 1350665955 /nfs/dbraw/zinc/66/59/55/1350665955.db2.gz TXGUECKZFDWAND-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM CC(C)[C@H](O)C(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603231388 1350665960 /nfs/dbraw/zinc/66/59/60/1350665960.db2.gz TXGUECKZFDWAND-ZDUSSCGKSA-N -1 3 334.380 2.230 20 5 EEBDHM CC1(C)CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])OC1 ZINC001603771542 1350763360 /nfs/dbraw/zinc/76/33/60/1350763360.db2.gz AXPZWDALJSMXRJ-LLVKDONJSA-N -1 3 332.364 2.392 20 5 EEBDHM CC1(C)CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])OC1 ZINC001603771542 1350763365 /nfs/dbraw/zinc/76/33/65/1350763365.db2.gz AXPZWDALJSMXRJ-LLVKDONJSA-N -1 3 332.364 2.392 20 5 EEBDHM CO[C@@H](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)(F)F ZINC001605007768 1351051595 /nfs/dbraw/zinc/05/15/95/1351051595.db2.gz PGQIDCCKBFLVOE-JTQLQIEISA-N -1 3 346.269 2.154 20 5 EEBDHM CO[C@@H](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)(F)F 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EEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1sccc1-c1nnn[n-]1 ZINC000823443463 607356269 /nfs/dbraw/zinc/35/62/69/607356269.db2.gz DCCUKAIBKIQVMX-UHFFFAOYSA-N -1 3 335.276 2.195 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000826254600 607406017 /nfs/dbraw/zinc/40/60/17/607406017.db2.gz SQTPTUVSOPHIKS-UHFFFAOYSA-N -1 3 329.272 2.033 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000826254600 607406018 /nfs/dbraw/zinc/40/60/18/607406018.db2.gz SQTPTUVSOPHIKS-UHFFFAOYSA-N -1 3 329.272 2.033 20 5 EEBDHM CO[C@]1(C)C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678883 606061234 /nfs/dbraw/zinc/06/12/34/606061234.db2.gz UFNRMTQBJLZHSU-CZUORRHYSA-N -1 3 346.391 2.415 20 5 EEBDHM CO[C@]1(C)C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678883 606061238 /nfs/dbraw/zinc/06/12/38/606061238.db2.gz UFNRMTQBJLZHSU-CZUORRHYSA-N -1 3 346.391 2.415 20 5 EEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823421555 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O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCCOCC1CC1 ZINC001593468146 1349804974 /nfs/dbraw/zinc/80/49/74/1349804974.db2.gz HYWBVIXPWNCXMR-UHFFFAOYSA-N -1 3 336.327 2.143 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCCOCC1CC1 ZINC001593468146 1349804980 /nfs/dbraw/zinc/80/49/80/1349804980.db2.gz HYWBVIXPWNCXMR-UHFFFAOYSA-N -1 3 336.327 2.143 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593470802 1349805976 /nfs/dbraw/zinc/80/59/76/1349805976.db2.gz MAVJQBLDQBGVJJ-SMDDNHRTSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593470802 1349805983 /nfs/dbraw/zinc/80/59/83/1349805983.db2.gz MAVJQBLDQBGVJJ-SMDDNHRTSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H]2CCOC23CCCC3)ccc1-c1nnn[n-]1 ZINC001593474487 1349807646 /nfs/dbraw/zinc/80/76/46/1349807646.db2.gz PYEKYAUXGXQRNY-CYBMUJFWSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC=C(c3cccnc3)C2)c(-c2nnn[n-]2)c1 ZINC001593475609 1349809247 /nfs/dbraw/zinc/80/92/47/1349809247.db2.gz BPDZHODCTHYBBD-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC=C(c3cccnc3)C2)c(-c2nn[n-]n2)c1 ZINC001593475609 1349809249 /nfs/dbraw/zinc/80/92/49/1349809249.db2.gz BPDZHODCTHYBBD-UHFFFAOYSA-N -1 3 349.354 2.464 20 5 EEBDHM CC(C)c1nn(C)cc1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603419041 1350703032 /nfs/dbraw/zinc/70/30/32/1350703032.db2.gz SDYNHOBMPPTLPM-UHFFFAOYSA-N -1 3 328.336 2.375 20 5 EEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001604111465 1350861332 /nfs/dbraw/zinc/86/13/32/1350861332.db2.gz FNJVSYSLBREMTF-MNOVXSKESA-N -1 3 332.364 2.087 20 5 EEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001604111465 1350861336 /nfs/dbraw/zinc/86/13/36/1350861336.db2.gz FNJVSYSLBREMTF-MNOVXSKESA-N -1 3 332.364 2.087 20 5 EEBDHM CCOC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604421531 1350935539 /nfs/dbraw/zinc/93/55/39/1350935539.db2.gz XCVIPJNUGQYQCK-LBPRGKRZSA-N -1 3 332.364 2.170 20 5 EEBDHM CCOC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604421531 1350935540 /nfs/dbraw/zinc/93/55/40/1350935540.db2.gz XCVIPJNUGQYQCK-LBPRGKRZSA-N -1 3 332.364 2.170 20 5 EEBDHM CCOCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001604437190 1350937459 /nfs/dbraw/zinc/93/74/59/1350937459.db2.gz CTFHIGCHTYIFQS-UHFFFAOYSA-N -1 3 341.331 2.450 20 5 EEBDHM CCOCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001604437190 1350937462 /nfs/dbraw/zinc/93/74/62/1350937462.db2.gz CTFHIGCHTYIFQS-UHFFFAOYSA-N -1 3 341.331 2.450 20 5 EEBDHM CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001604460601 1350942292 /nfs/dbraw/zinc/94/22/92/1350942292.db2.gz ZLCWYKCJTRCHKO-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001604460601 1350942293 /nfs/dbraw/zinc/94/22/93/1350942293.db2.gz ZLCWYKCJTRCHKO-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001604814090 1351013863 /nfs/dbraw/zinc/01/38/63/1351013863.db2.gz YVHYVNYRQNIEPX-LLVKDONJSA-N -1 3 334.376 2.141 20 5 EEBDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC001605635803 1351207125 /nfs/dbraw/zinc/20/71/25/1351207125.db2.gz ILWYEWUFBAILCU-UHFFFAOYSA-N -1 3 345.344 2.101 20 5 EEBDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC001605635803 1351207126 /nfs/dbraw/zinc/20/71/26/1351207126.db2.gz ILWYEWUFBAILCU-UHFFFAOYSA-N -1 3 345.344 2.101 20 5 EEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC001606485347 1351310010 /nfs/dbraw/zinc/31/00/10/1351310010.db2.gz IAKFCSRMBXXUKO-CMDGGOBGSA-N -1 3 336.311 2.427 20 5 EEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc([N+](=O)[O-])c1 ZINC001606485347 1351310012 /nfs/dbraw/zinc/31/00/12/1351310012.db2.gz IAKFCSRMBXXUKO-CMDGGOBGSA-N -1 3 336.311 2.427 20 5 EEBDHM COC(=O)[C@]12CCC[C@H]1N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001606520738 1351315705 /nfs/dbraw/zinc/31/57/05/1351315705.db2.gz KKMXTEGTLVXTLM-PBHICJAKSA-N -1 3 348.355 2.211 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001607077387 1351407003 /nfs/dbraw/zinc/40/70/03/1351407003.db2.gz MKQHFPOPRPTERT-SNVBAGLBSA-N -1 3 342.281 2.159 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001607077387 1351407006 /nfs/dbraw/zinc/40/70/06/1351407006.db2.gz MKQHFPOPRPTERT-SNVBAGLBSA-N -1 3 342.281 2.159 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1Cc2ccc(O)cc2C1 ZINC001607077754 1351408020 /nfs/dbraw/zinc/40/80/20/1351408020.db2.gz RHWCYLZDGGBMPC-UHFFFAOYSA-N -1 3 342.290 2.140 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1Cc2ccc(O)cc2C1 ZINC001607077754 1351408021 /nfs/dbraw/zinc/40/80/21/1351408021.db2.gz RHWCYLZDGGBMPC-UHFFFAOYSA-N -1 3 342.290 2.140 20 5 EEBDHM O=[N+]([O-])c1cc(NCC2(CO)CCCCC2)ccc1-c1nnn[n-]1 ZINC001607079395 1351408514 /nfs/dbraw/zinc/40/85/14/1351408514.db2.gz GZUPPZVJSZKEBQ-UHFFFAOYSA-N -1 3 332.364 2.130 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccc2ncccc12 ZINC001607081056 1351409598 /nfs/dbraw/zinc/40/95/98/1351409598.db2.gz ZGZPNGWDHZSIMG-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccc2ncccc12 ZINC001607081056 1351409602 /nfs/dbraw/zinc/40/96/02/1351409602.db2.gz ZGZPNGWDHZSIMG-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H](O)c1ccc(F)cc1 ZINC001607084604 1351411817 /nfs/dbraw/zinc/41/18/17/1351411817.db2.gz PCJIAHWYPZGDNO-ZDUSSCGKSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H](O)c1ccc(F)cc1 ZINC001607084604 1351411819 /nfs/dbraw/zinc/41/18/19/1351411819.db2.gz PCJIAHWYPZGDNO-ZDUSSCGKSA-N -1 3 344.306 2.060 20 5 EEBDHM CCn1ccc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848592694 1373160292 /nfs/dbraw/zinc/16/02/92/1373160292.db2.gz XZVYQVQNDPHGGI-UHFFFAOYSA-N -1 3 340.286 2.099 20 5 EEBDHM Cc1nn2cccnc2c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000918562438 769212470 /nfs/dbraw/zinc/21/24/70/769212470.db2.gz DGGNKYPHOUVKLF-UHFFFAOYSA-N -1 3 333.254 2.476 20 5 EEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC000819984048 785749279 /nfs/dbraw/zinc/74/92/79/785749279.db2.gz OWGVZTOAKZTZMR-LBPRGKRZSA-N -1 3 347.379 2.177 20 5 EEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000819984048 785749283 /nfs/dbraw/zinc/74/92/83/785749283.db2.gz OWGVZTOAKZTZMR-LBPRGKRZSA-N -1 3 347.379 2.177 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(C(F)F)o1 ZINC001093780226 795679224 /nfs/dbraw/zinc/67/92/24/795679224.db2.gz GHXQXIYUUCLNRS-UHFFFAOYSA-N -1 3 342.258 2.068 20 5 EEBDHM Cc1ccc(C)c(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001094089943 795927046 /nfs/dbraw/zinc/92/70/46/795927046.db2.gz PWOSPALLSNFTFC-UHFFFAOYSA-N -1 3 344.371 2.083 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=Cc1ccco1 ZINC001106656124 796059860 /nfs/dbraw/zinc/05/98/60/796059860.db2.gz DJJXREBSXOGGDP-WAYWQWQTSA-N -1 3 346.343 2.262 20 5 EEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=Cc1ccco1 ZINC001106656123 796059881 /nfs/dbraw/zinc/05/98/81/796059881.db2.gz DJJXREBSXOGGDP-AATRIKPKSA-N -1 3 346.343 2.262 20 5 EEBDHM O=C(Nc1nc(Br)ccc1[O-])c1ccc([N+](=O)[O-])[nH]1 ZINC000790043144 808342509 /nfs/dbraw/zinc/34/25/09/808342509.db2.gz NFXUOZJCEQQRSC-UHFFFAOYSA-N -1 3 327.094 2.038 20 5 EEBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC001593887510 955764133 /nfs/dbraw/zinc/76/41/33/955764133.db2.gz YSRADRGCFJCLET-QMTHXVAHSA-N -1 3 336.344 2.067 20 5 EEBDHM O=C([O-])C[C@@H]1CCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000833212150 979120300 /nfs/dbraw/zinc/12/03/00/979120300.db2.gz UENDYFBKACVKCF-HNNXBMFYSA-N -1 3 330.344 2.355 20 5 EEBDHM CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598460673 991954407 /nfs/dbraw/zinc/95/44/07/991954407.db2.gz ZCJQQUBULTVRNB-VIFPVBQESA-N -1 3 327.768 2.477 20 5 EEBDHM CN1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3Cl)C[C@H]21 ZINC001598626594 994105927 /nfs/dbraw/zinc/10/59/27/994105927.db2.gz DEAHVYKGFGHHNW-GZMMTYOYSA-N -1 3 325.752 2.087 20 5 EEBDHM C[C@@](NCc1ccc2nonc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303778 994737615 /nfs/dbraw/zinc/73/76/15/994737615.db2.gz FVNTUNWSETWWII-INIZCTEOSA-N -1 3 342.311 2.221 20 5 EEBDHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000068973840 215350352 /nfs/dbraw/zinc/35/03/52/215350352.db2.gz BIXWTUMPLOYDAM-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000068973840 215350355 /nfs/dbraw/zinc/35/03/55/215350355.db2.gz BIXWTUMPLOYDAM-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-]C2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC000491596589 246082393 /nfs/dbraw/zinc/08/23/93/246082393.db2.gz MAJSXLUKVPZHHV-UHFFFAOYSA-N -1 3 346.380 2.455 20 5 EEBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188648005 255968989 /nfs/dbraw/zinc/96/89/89/255968989.db2.gz BQIKWWDOFDJGHV-UHFFFAOYSA-N -1 3 336.797 2.342 20 5 EEBDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000377380418 154170243 /nfs/dbraw/zinc/17/02/43/154170243.db2.gz DHULHLQKJRQAHD-MEBBXXQBSA-N -1 3 334.353 2.395 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000126102086 292305807 /nfs/dbraw/zinc/30/58/07/292305807.db2.gz FRYLXORAYOJFTG-QMMMGPOBSA-N -1 3 336.435 2.040 20 5 EEBDHM Cc1cccc([O-])c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000184164758 160002658 /nfs/dbraw/zinc/00/26/58/160002658.db2.gz QKMOQSGUAQBRAY-UHFFFAOYSA-N -1 3 343.339 2.286 20 5 EEBDHM C[S@@](=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000346576334 161383361 /nfs/dbraw/zinc/38/33/61/161383361.db2.gz PKZBLHMIEWEZQJ-XMMPIXPASA-N -1 3 344.352 2.461 20 5 EEBDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000352549415 162183132 /nfs/dbraw/zinc/18/31/32/162183132.db2.gz JCEGOSTWCCODBP-CYBMUJFWSA-N -1 3 348.380 2.185 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000352565422 162190965 /nfs/dbraw/zinc/19/09/65/162190965.db2.gz NKDRUPZGIIHKBZ-GFCCVEGCSA-N -1 3 348.446 2.040 20 5 EEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000353003913 162385196 /nfs/dbraw/zinc/38/51/96/162385196.db2.gz KWPBPUFFALJQFM-MRVPVSSYSA-N -1 3 342.402 2.103 20 5 EEBDHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000271804623 274155458 /nfs/dbraw/zinc/15/54/58/274155458.db2.gz XGRNITYMQUFESW-UHFFFAOYSA-N -1 3 344.371 2.132 20 5 EEBDHM CC(C)(O)CON=C([O-])Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278603285 274381733 /nfs/dbraw/zinc/38/17/33/274381733.db2.gz QXQHOWDVSHGXPW-UHFFFAOYSA-N -1 3 348.153 2.181 20 5 EEBDHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278603285 274381736 /nfs/dbraw/zinc/38/17/36/274381736.db2.gz QXQHOWDVSHGXPW-UHFFFAOYSA-N -1 3 348.153 2.181 20 5 EEBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000292829675 275485444 /nfs/dbraw/zinc/48/54/44/275485444.db2.gz OTIQZURRVOYBNA-UHFFFAOYSA-N -1 3 330.406 2.305 20 5 EEBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360256810 280859248 /nfs/dbraw/zinc/85/92/48/280859248.db2.gz HWRNBCDYBHDGPZ-ZWNOBZJWSA-N -1 3 344.433 2.287 20 5 EEBDHM COc1ccc([O-])c(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)c1 ZINC000350924732 312353137 /nfs/dbraw/zinc/35/31/37/312353137.db2.gz JVJBTSZAPUBGQO-UHFFFAOYSA-N -1 3 331.288 2.068 20 5 EEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000416556848 313256390 /nfs/dbraw/zinc/25/63/90/313256390.db2.gz GGEMOWUDRWWXNX-MNOVXSKESA-N -1 3 346.430 2.201 20 5 EEBDHM CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436901724 315011041 /nfs/dbraw/zinc/01/10/41/315011041.db2.gz RRSMCOQZQAQIGR-JKSUJKDBSA-N -1 3 341.367 2.128 20 5 EEBDHM CCOc1cc(CN2CC[C@H](OC)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565962377 319231442 /nfs/dbraw/zinc/23/14/42/319231442.db2.gz PSUGAGCHBWFKOL-JSGCOSHPSA-N -1 3 338.360 2.058 20 5 EEBDHM CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1N(C)C ZINC000567505319 319386362 /nfs/dbraw/zinc/38/63/62/319386362.db2.gz VDVIHNVCCMAAAY-ZIAGYGMSSA-N -1 3 339.417 2.083 20 5 EEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000337240195 465263721 /nfs/dbraw/zinc/26/37/21/465263721.db2.gz ASKQNUIFECMRCE-UHFFFAOYSA-N -1 3 325.321 2.113 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000337331190 465310500 /nfs/dbraw/zinc/31/05/00/465310500.db2.gz HCLZJZYMUTXOII-PSASIEDQSA-N -1 3 336.316 2.033 20 5 EEBDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046036712 462638487 /nfs/dbraw/zinc/63/84/87/462638487.db2.gz PISDIGODHMNKCP-OCCSQVGLSA-N -1 3 342.417 2.468 20 5 EEBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000131768136 462826413 /nfs/dbraw/zinc/82/64/13/462826413.db2.gz GQSQNTMFOGVQKO-ZDUSSCGKSA-N -1 3 333.388 2.391 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSC(C)(C)C ZINC000066936232 462949472 /nfs/dbraw/zinc/94/94/72/462949472.db2.gz FCMVEGASHSVADO-UHFFFAOYSA-N -1 3 348.446 2.413 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000023390431 463066705 /nfs/dbraw/zinc/06/67/05/463066705.db2.gz KNCMDSYYXRHZPO-UHFFFAOYSA-N -1 3 328.390 2.462 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000157460112 463133675 /nfs/dbraw/zinc/13/36/75/463133675.db2.gz ANNSXFIYWTWWOH-UHFFFAOYSA-N -1 3 340.401 2.462 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(C)(C)CO)cc1C ZINC000121696706 463179787 /nfs/dbraw/zinc/17/97/87/463179787.db2.gz VBBKBGJWXNCGTB-UHFFFAOYSA-N -1 3 344.433 2.289 20 5 EEBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000055316871 463308493 /nfs/dbraw/zinc/30/84/93/463308493.db2.gz ZBZNSJIPXXKHFY-UHFFFAOYSA-N -1 3 329.312 2.189 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2)c(F)c1 ZINC000055966669 463366511 /nfs/dbraw/zinc/36/65/11/463366511.db2.gz KUTKAEKPEZKFSA-UHFFFAOYSA-N -1 3 340.332 2.091 20 5 EEBDHM O=C([N-]c1cc(-n2cnnn2)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000058480317 463602963 /nfs/dbraw/zinc/60/29/63/463602963.db2.gz JVIAEMDFBWEEIH-UHFFFAOYSA-N -1 3 334.292 2.023 20 5 EEBDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000185278904 463794071 /nfs/dbraw/zinc/79/40/71/463794071.db2.gz POZKCMRUAHFVSK-FSIBCCDJSA-N -1 3 348.808 2.162 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OCc2cccnc2)c1 ZINC000269569784 464023181 /nfs/dbraw/zinc/02/31/81/464023181.db2.gz UPIBFWXKGJFRPP-UHFFFAOYSA-N -1 3 331.328 2.315 20 5 EEBDHM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000272067372 464465445 /nfs/dbraw/zinc/46/54/45/464465445.db2.gz BLTXLZHIVHGDEN-JOYOIKCWSA-N -1 3 344.314 2.391 20 5 EEBDHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175128922 464494442 /nfs/dbraw/zinc/49/44/42/464494442.db2.gz OSIJNQDUSPZWAT-IUODEOHRSA-N -1 3 342.417 2.324 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000176687353 464825494 /nfs/dbraw/zinc/82/54/94/464825494.db2.gz CKWHMRZBGMEQCZ-UHFFFAOYSA-N -1 3 348.808 2.262 20 5 EEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000183318360 464849112 /nfs/dbraw/zinc/84/91/12/464849112.db2.gz KFPWCVYYRBQAPK-LBPRGKRZSA-N -1 3 346.380 2.358 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000192134864 464872004 /nfs/dbraw/zinc/87/20/04/464872004.db2.gz KREBVQWEZSTXEL-UHFFFAOYSA-N -1 3 330.259 2.082 20 5 EEBDHM O=C([N-]OC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000276491874 464952855 /nfs/dbraw/zinc/95/28/55/464952855.db2.gz SNQBDMDCSGXMCZ-MRVPVSSYSA-N -1 3 334.250 2.312 20 5 EEBDHM Cc1cc(=O)[n-]c([C@H](C)N2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000352622309 465542595 /nfs/dbraw/zinc/54/25/95/465542595.db2.gz ZUMFZHUTAXPZST-NSHDSACASA-N -1 3 330.344 2.354 20 5 EEBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360888335 465624431 /nfs/dbraw/zinc/62/44/31/465624431.db2.gz ZVIOZAVZUPSIAX-AAEUAGOBSA-N -1 3 328.390 2.139 20 5 EEBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CO2 ZINC000371935067 466077037 /nfs/dbraw/zinc/07/70/37/466077037.db2.gz AJFUKCCZBICHRU-CQSZACIVSA-N -1 3 348.380 2.456 20 5 EEBDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338723279 466335983 /nfs/dbraw/zinc/33/59/83/466335983.db2.gz FTUKPUFAFPVEQP-GXSJLCMTSA-N -1 3 348.808 2.484 20 5 EEBDHM COCc1cnc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1 ZINC000340823574 466364277 /nfs/dbraw/zinc/36/42/77/466364277.db2.gz VCVOAAXRYCPPEL-UHFFFAOYSA-N -1 3 333.329 2.326 20 5 EEBDHM O=C([N-][C@@H]1c2ccccc2C[C@@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376879591 466953746 /nfs/dbraw/zinc/95/37/46/466953746.db2.gz GVIROBBUGFZZHB-LSDHHAIUSA-N -1 3 348.305 2.461 20 5 EEBDHM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000451856587 467274681 /nfs/dbraw/zinc/27/46/81/467274681.db2.gz PRGPSTMMNRUUHN-WFASDCNBSA-N -1 3 344.433 2.162 20 5 EEBDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000452007316 467302069 /nfs/dbraw/zinc/30/20/69/467302069.db2.gz QCYCVEMPAUCFOR-QMMMGPOBSA-N -1 3 344.418 2.221 20 5 EEBDHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)C1 ZINC000436795181 467554592 /nfs/dbraw/zinc/55/45/92/467554592.db2.gz YCNYNQKFNBMQJX-HUBLWGQQSA-N -1 3 333.388 2.103 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCS[C@H]2C)cc1C ZINC000592112090 468628806 /nfs/dbraw/zinc/62/88/06/468628806.db2.gz LEFZNHPLBZELFM-WDEREUQCSA-N -1 3 330.431 2.384 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000594848635 468702974 /nfs/dbraw/zinc/70/29/74/468702974.db2.gz GXGSUVJZBJCCHD-UHFFFAOYSA-N -1 3 330.406 2.387 20 5 EEBDHM COc1cc(CNCc2c(C3CC3)cnn2C)c([N+](=O)[O-])cc1[O-] ZINC000594983601 468738134 /nfs/dbraw/zinc/73/81/34/468738134.db2.gz GDCGQCHXFYXMFP-UHFFFAOYSA-N -1 3 332.360 2.210 20 5 EEBDHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000560316229 468779344 /nfs/dbraw/zinc/77/93/44/468779344.db2.gz HQMOGPIFJGDLHY-UHFFFAOYSA-N -1 3 344.389 2.079 20 5 EEBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601422502 468867271 /nfs/dbraw/zinc/86/72/71/468867271.db2.gz ZAANNNVYYHNNEK-UHFFFAOYSA-N -1 3 334.369 2.136 20 5 EEBDHM O=C([O-])c1ccccc1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000615165620 469169048 /nfs/dbraw/zinc/16/90/48/469169048.db2.gz YRTVNDQSYVAYLF-UHFFFAOYSA-N -1 3 344.371 2.369 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000616424263 469445133 /nfs/dbraw/zinc/44/51/33/469445133.db2.gz ALZOCDDVSAGLFF-OLZOCXBDSA-N -1 3 342.417 2.305 20 5 EEBDHM CCOCCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189867258 528656698 /nfs/dbraw/zinc/65/66/98/528656698.db2.gz QYUIYMAUNCIJLX-UHFFFAOYSA-N -1 3 330.406 2.307 20 5 EEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1csc([N+](=O)[O-])c1 ZINC000738236097 578005441 /nfs/dbraw/zinc/00/54/41/578005441.db2.gz SFFUEMVIMNTETQ-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC000738236097 578005442 /nfs/dbraw/zinc/00/54/42/578005442.db2.gz SFFUEMVIMNTETQ-UHFFFAOYSA-N -1 3 349.303 2.333 20 5 EEBDHM CSc1cccc(C(=O)OCc2cc(=O)c([O-])co2)c1[N+](=O)[O-] ZINC000777073712 577472311 /nfs/dbraw/zinc/47/23/11/577472311.db2.gz BXYJCELSJVQKNN-UHFFFAOYSA-N -1 3 337.309 2.333 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCNc2ccccc2)cs1 ZINC000768848698 577564065 /nfs/dbraw/zinc/56/40/65/577564065.db2.gz JUECRKQAJRDBNB-UHFFFAOYSA-N -1 3 327.387 2.047 20 5 EEBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC000736159122 578183721 /nfs/dbraw/zinc/18/37/21/578183721.db2.gz UVENKEFGFKEOJE-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1[N+](=O)[O-] ZINC000736159122 578183722 /nfs/dbraw/zinc/18/37/22/578183722.db2.gz UVENKEFGFKEOJE-SECBINFHSA-N -1 3 340.299 2.088 20 5 EEBDHM C[C@H](c1cccnc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736203866 578187146 /nfs/dbraw/zinc/18/71/46/578187146.db2.gz NTKPMDYKJUIXHP-SNVBAGLBSA-N -1 3 325.332 2.367 20 5 EEBDHM C[C@H](c1cccnc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736203866 578187147 /nfs/dbraw/zinc/18/71/47/578187147.db2.gz NTKPMDYKJUIXHP-SNVBAGLBSA-N -1 3 325.332 2.367 20 5 EEBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(=O)c([O-])co1 ZINC000736735246 578221251 /nfs/dbraw/zinc/22/12/51/578221251.db2.gz LUQIXRFLIUTESC-UHFFFAOYSA-N -1 3 337.309 2.089 20 5 EEBDHM CSc1ccc(C(=O)OCc2cc(=O)c([O-])co2)cc1[N+](=O)[O-] ZINC000736734298 578221263 /nfs/dbraw/zinc/22/12/63/578221263.db2.gz FKXFQEZQFXMHLD-UHFFFAOYSA-N -1 3 337.309 2.333 20 5 EEBDHM COC1CCC(N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736959931 578230883 /nfs/dbraw/zinc/23/08/83/578230883.db2.gz BPINVFBQSVVVCX-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM COC1CCC(N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736959931 578230884 /nfs/dbraw/zinc/23/08/84/578230884.db2.gz BPINVFBQSVVVCX-UHFFFAOYSA-N -1 3 332.364 2.169 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000820583822 599043474 /nfs/dbraw/zinc/04/34/74/599043474.db2.gz FPVWVWSXGWQTEP-LERXQTSPSA-N -1 3 344.375 2.390 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000820583822 599043478 /nfs/dbraw/zinc/04/34/78/599043478.db2.gz FPVWVWSXGWQTEP-LERXQTSPSA-N -1 3 344.375 2.390 20 5 EEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000823111484 607356135 /nfs/dbraw/zinc/35/61/35/607356135.db2.gz KCAVLQDIXPBKFN-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000823111484 607356136 /nfs/dbraw/zinc/35/61/36/607356136.db2.gz KCAVLQDIXPBKFN-UHFFFAOYSA-N -1 3 343.274 2.062 20 5 EEBDHM C[C@@H](SCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549252 607477002 /nfs/dbraw/zinc/47/70/02/607477002.db2.gz LGRKPHHHVMBTSD-SNVBAGLBSA-N -1 3 345.388 2.466 20 5 EEBDHM C[C@@H](SCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549252 607477004 /nfs/dbraw/zinc/47/70/04/607477004.db2.gz LGRKPHHHVMBTSD-SNVBAGLBSA-N -1 3 345.388 2.466 20 5 EEBDHM C[C@@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C(=O)[O-] ZINC000828465838 601814119 /nfs/dbraw/zinc/81/41/19/601814119.db2.gz YHMMYDWEHAYLPZ-IAQYHMDHSA-N -1 3 330.344 2.068 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCOCC1 ZINC000820926969 606043384 /nfs/dbraw/zinc/04/33/84/606043384.db2.gz YIGXMAUKMISGMF-CYBMUJFWSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCOCC1 ZINC000820926969 606043386 /nfs/dbraw/zinc/04/33/86/606043386.db2.gz YIGXMAUKMISGMF-CYBMUJFWSA-N -1 3 332.364 2.392 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821845884 606221665 /nfs/dbraw/zinc/22/16/65/606221665.db2.gz KVIGFBWQWWQZBC-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821845884 606221666 /nfs/dbraw/zinc/22/16/66/606221666.db2.gz KVIGFBWQWWQZBC-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM CCCCCOC1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821056112 606240121 /nfs/dbraw/zinc/24/01/21/606240121.db2.gz KXLABHUHZNZMFN-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM CCCCCOC1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821056112 606240123 /nfs/dbraw/zinc/24/01/23/606240123.db2.gz KXLABHUHZNZMFN-UHFFFAOYSA-N -1 3 332.364 2.170 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000822271308 606721650 /nfs/dbraw/zinc/72/16/50/606721650.db2.gz WHUZKDMPIDVTDO-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000822271308 606721651 /nfs/dbraw/zinc/72/16/51/606721651.db2.gz WHUZKDMPIDVTDO-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1=CCCC1 ZINC000826450216 608161990 /nfs/dbraw/zinc/16/19/90/608161990.db2.gz BGWYLDVFOFDSNG-UHFFFAOYSA-N -1 3 334.723 2.477 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1=CCCC1 ZINC000826450216 608161992 /nfs/dbraw/zinc/16/19/92/608161992.db2.gz BGWYLDVFOFDSNG-UHFFFAOYSA-N -1 3 334.723 2.477 20 5 EEBDHM COc1cc(COc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826179856 609415092 /nfs/dbraw/zinc/41/50/92/609415092.db2.gz IDZVROREVIPGTE-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM COc1cc(COc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826179856 609415094 /nfs/dbraw/zinc/41/50/94/609415094.db2.gz IDZVROREVIPGTE-UHFFFAOYSA-N -1 3 327.300 2.363 20 5 EEBDHM C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824884883 609596109 /nfs/dbraw/zinc/59/61/09/609596109.db2.gz QGHAENXSSJCLAG-GHMZBOCLSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824884883 609596110 /nfs/dbraw/zinc/59/61/10/609596110.db2.gz QGHAENXSSJCLAG-GHMZBOCLSA-N -1 3 332.364 2.392 20 5 EEBDHM COc1c([O-])ccc(CN2CCO[C@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000892182280 678217686 /nfs/dbraw/zinc/21/76/86/678217686.db2.gz BRCIFZMPJVQXOJ-AWEZNQCLSA-N -1 3 334.328 2.476 20 5 EEBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001107051145 1193011074 /nfs/dbraw/zinc/01/10/74/1193011074.db2.gz SSLYQCVXNISSPV-ONEGZZNKSA-N -1 3 346.318 2.233 20 5 EEBDHM O=C1[N-]C(=O)C(=CNc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 ZINC000016719250 1201661757 /nfs/dbraw/zinc/66/17/57/1201661757.db2.gz RNFAWIXCVABDBR-XYOKQWHBSA-N -1 3 327.271 2.457 20 5 EEBDHM O=C(CCC1CC1)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095343559 1202538591 /nfs/dbraw/zinc/53/85/91/1202538591.db2.gz IZKPTGBLBUXWTF-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM O=[N+]([O-])c1c(-c2nc(-c3ccncc3)no2)[n-]nc1C(F)(F)F ZINC001212973329 1216753321 /nfs/dbraw/zinc/75/33/21/1216753321.db2.gz WTSZITKNEQDQTO-UHFFFAOYSA-N -1 3 326.194 2.449 20 5 EEBDHM CCCN(C(=O)C1CC1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001096538511 1241082099 /nfs/dbraw/zinc/08/20/99/1241082099.db2.gz DGLYZDHBXLSPPP-UHFFFAOYSA-N -1 3 348.403 2.313 20 5 EEBDHM CC1(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001057405485 1243634048 /nfs/dbraw/zinc/63/40/48/1243634048.db2.gz WRGKGBLLHNUPME-UHFFFAOYSA-N -1 3 334.376 2.289 20 5 EEBDHM C=C/C(C)=C\CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097087220 1243685700 /nfs/dbraw/zinc/68/57/00/1243685700.db2.gz CCJUBWKBXWVLSJ-JHJZIVBASA-N -1 3 332.360 2.277 20 5 EEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C1CC1)C1CC1 ZINC001101660040 1246090619 /nfs/dbraw/zinc/09/06/19/1246090619.db2.gz MDUBPPGRDGFNNM-UHFFFAOYSA-N -1 3 348.403 2.392 20 5 EEBDHM CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102187344 1300526803 /nfs/dbraw/zinc/52/68/03/1300526803.db2.gz QFNXFNHPCRSGTI-BETUJISGSA-N -1 3 348.403 2.311 20 5 EEBDHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665446 1301117235 /nfs/dbraw/zinc/11/72/35/1301117235.db2.gz ZPEAYWLHKBSRJK-NWDGAFQWSA-N -1 3 330.344 2.305 20 5 EEBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCCN(C(C)C)C2)cc1[O-] ZINC001228815627 1302463361 /nfs/dbraw/zinc/46/33/61/1302463361.db2.gz VXXFFHPRNVNPKF-NSHDSACASA-N -1 3 338.360 2.339 20 5 EEBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854126 1302485296 /nfs/dbraw/zinc/48/52/96/1302485296.db2.gz OFLBLDFCTWCYGB-SECBINFHSA-N -1 3 331.328 2.402 20 5 EEBDHM O=[N+]([O-])C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccc2c(c1)OCO2 ZINC001234446777 1304926186 /nfs/dbraw/zinc/92/61/86/1304926186.db2.gz IABBZJFWHJUCQP-AWEZNQCLSA-N -1 3 343.295 2.394 20 5 EEBDHM COc1ccncc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247998233 1310812632 /nfs/dbraw/zinc/81/26/32/1310812632.db2.gz AJLBWEZCUJNGLJ-UHFFFAOYSA-N -1 3 341.283 2.301 20 5 EEBDHM COc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000837344834 1315071724 /nfs/dbraw/zinc/07/17/24/1315071724.db2.gz NEDFAGCXWLFRRC-UHFFFAOYSA-N -1 3 345.311 2.333 20 5 EEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837462481 1315085137 /nfs/dbraw/zinc/08/51/37/1315085137.db2.gz CMRWVWYQLBMEMM-UHFFFAOYSA-N -1 3 344.327 2.123 20 5 EEBDHM O=C(NCCCc1c[n-][nH]c1=O)c1cccc2nc3ccccc3nc21 ZINC001153870450 1316905885 /nfs/dbraw/zinc/90/58/85/1316905885.db2.gz CTJKIRQWKMJKLO-LBPRGKRZSA-N -1 3 347.378 2.025 20 5 EEBDHM C[C@@H]1CN(CCc2nnc(-c3ccc([O-])cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258146552 1319189533 /nfs/dbraw/zinc/18/95/33/1319189533.db2.gz ONTCDXPPJXNXKH-GHMZBOCLSA-N -1 3 348.359 2.002 20 5 EEBDHM CC[C@H](C)[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609184157 1351879672 /nfs/dbraw/zinc/87/96/72/1351879672.db2.gz QXVOBIYLADHHOU-ZUZCIYMTSA-N -1 3 334.380 2.292 20 5 EEBDHM CC[C@H](C)[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609184157 1351879676 /nfs/dbraw/zinc/87/96/76/1351879676.db2.gz QXVOBIYLADHHOU-ZUZCIYMTSA-N -1 3 334.380 2.292 20 5 EEBDHM CCOC[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609240196 1351905991 /nfs/dbraw/zinc/90/59/91/1351905991.db2.gz QFANQCUIURXURL-GFCCVEGCSA-N -1 3 346.391 2.336 20 5 EEBDHM CCOC[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609240196 1351905993 /nfs/dbraw/zinc/90/59/93/1351905993.db2.gz QFANQCUIURXURL-GFCCVEGCSA-N -1 3 346.391 2.336 20 5 EEBDHM COC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609319406 1351931757 /nfs/dbraw/zinc/93/17/57/1351931757.db2.gz DMDGJVSVGWUIPY-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM COC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609319406 1351931760 /nfs/dbraw/zinc/93/17/60/1351931760.db2.gz DMDGJVSVGWUIPY-LLVKDONJSA-N -1 3 332.364 2.028 20 5 EEBDHM COc1ccc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001609354497 1351944476 /nfs/dbraw/zinc/94/44/76/1351944476.db2.gz MVFNDWGGAXKQOO-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM COc1ccc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001609354497 1351944480 /nfs/dbraw/zinc/94/44/80/1351944480.db2.gz MVFNDWGGAXKQOO-UHFFFAOYSA-N -1 3 340.343 2.438 20 5 EEBDHM CCN(CCNC(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001331536896 1335033252 /nfs/dbraw/zinc/03/32/52/1335033252.db2.gz MGWNLMPUVDLTDK-UHFFFAOYSA-N -1 3 326.353 2.046 20 5 EEBDHM Cc1noc(C)c1CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609462613 1351986438 /nfs/dbraw/zinc/98/64/38/1351986438.db2.gz KLZMVGCCGCHOFM-UHFFFAOYSA-N -1 3 329.320 2.034 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(Sc3ncco3)cc(-c3nnn[n-]3)c2c1 ZINC001609602161 1352032022 /nfs/dbraw/zinc/03/20/22/1352032022.db2.gz FWZJFUVWIKANHA-UHFFFAOYSA-N -1 3 341.312 2.462 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(Sc3ncco3)cc(-c3nn[n-]n3)c2c1 ZINC001609602161 1352032025 /nfs/dbraw/zinc/03/20/25/1352032025.db2.gz FWZJFUVWIKANHA-UHFFFAOYSA-N -1 3 341.312 2.462 20 5 EEBDHM CCN(CCNC(=O)c1oc(C)cc1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100483180 1338421975 /nfs/dbraw/zinc/42/19/75/1338421975.db2.gz VQFAZTQVRDJTGL-UHFFFAOYSA-N -1 3 348.359 2.162 20 5 EEBDHM O=C([O-])CC1(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001610758317 1352269737 /nfs/dbraw/zinc/26/97/37/1352269737.db2.gz NPGIVJHLEIBRJY-UHFFFAOYSA-N -1 3 329.150 2.454 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1Oc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001579937688 1344436385 /nfs/dbraw/zinc/43/63/85/1344436385.db2.gz SHUDSNUZMNBTDT-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1Oc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001579937688 1344436407 /nfs/dbraw/zinc/43/64/07/1344436407.db2.gz SHUDSNUZMNBTDT-UHFFFAOYSA-N -1 3 328.288 2.279 20 5 EEBDHM C[C@@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCC1 ZINC001589030260 1348953294 /nfs/dbraw/zinc/95/32/94/1348953294.db2.gz MNMXAMRPUDTROG-SECBINFHSA-N -1 3 331.332 2.254 20 5 EEBDHM C[C@@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001589030260 1348953296 /nfs/dbraw/zinc/95/32/96/1348953296.db2.gz MNMXAMRPUDTROG-SECBINFHSA-N -1 3 331.332 2.254 20 5 EEBDHM CC(C)O[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589738987 1349025932 /nfs/dbraw/zinc/02/59/32/1349025932.db2.gz BLHIVQUXIUQIPA-GFCCVEGCSA-N -1 3 332.364 2.169 20 5 EEBDHM CC(C)O[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589738987 1349025938 /nfs/dbraw/zinc/02/59/38/1349025938.db2.gz BLHIVQUXIUQIPA-GFCCVEGCSA-N -1 3 332.364 2.169 20 5 EEBDHM CC1(C)CO[C@@H](CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590110677 1349159517 /nfs/dbraw/zinc/15/95/17/1349159517.db2.gz DWGWRXWZVYCVGB-NSHDSACASA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@H]1C[C@H]1c1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001590221245 1349207801 /nfs/dbraw/zinc/20/78/01/1349207801.db2.gz TVRJPTNGGBLABW-GZMMTYOYSA-N -1 3 341.331 2.498 20 5 EEBDHM C[C@H]1C[C@H]1c1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001590221245 1349207815 /nfs/dbraw/zinc/20/78/15/1349207815.db2.gz TVRJPTNGGBLABW-GZMMTYOYSA-N -1 3 341.331 2.498 20 5 EEBDHM COc1cc(F)cc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591540872 1349503097 /nfs/dbraw/zinc/50/30/97/1349503097.db2.gz RGVQNHKZEHUVAQ-UHFFFAOYSA-N -1 3 331.267 2.061 20 5 EEBDHM COc1cc(F)cc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591540872 1349503101 /nfs/dbraw/zinc/50/31/01/1349503101.db2.gz RGVQNHKZEHUVAQ-UHFFFAOYSA-N -1 3 331.267 2.061 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(NCCNc2ccccc2[N+](=O)[O-])n1 ZINC001591857036 1349547955 /nfs/dbraw/zinc/54/79/55/1349547955.db2.gz ACNLLYLNPZFYRM-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)cc(NCCNc2ccccc2[N+](=O)[O-])n1 ZINC001591857036 1349547960 /nfs/dbraw/zinc/54/79/60/1349547960.db2.gz ACNLLYLNPZFYRM-UHFFFAOYSA-N -1 3 340.347 2.002 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001592198091 1349604780 /nfs/dbraw/zinc/60/47/80/1349604780.db2.gz XAMLCDBOKRHZBC-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001592198091 1349604781 /nfs/dbraw/zinc/60/47/81/1349604781.db2.gz XAMLCDBOKRHZBC-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cccnc1CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592263003 1349614600 /nfs/dbraw/zinc/61/46/00/1349614600.db2.gz JOWKDOAUCGQHAT-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM Cc1cccnc1CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592263003 1349614606 /nfs/dbraw/zinc/61/46/06/1349614606.db2.gz JOWKDOAUCGQHAT-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM Cc1nc(NCCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001592391685 1349627262 /nfs/dbraw/zinc/62/72/62/1349627262.db2.gz QADCJJGYHFGBBU-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Cc1nc(NCCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001592391685 1349627267 /nfs/dbraw/zinc/62/72/67/1349627267.db2.gz QADCJJGYHFGBBU-UHFFFAOYSA-N -1 3 325.332 2.133 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC001592757112 1349713397 /nfs/dbraw/zinc/71/33/97/1349713397.db2.gz IALFXTFHNWNOJK-UHFFFAOYSA-N -1 3 346.738 2.018 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC001592757112 1349713399 /nfs/dbraw/zinc/71/33/99/1349713399.db2.gz IALFXTFHNWNOJK-UHFFFAOYSA-N -1 3 346.738 2.018 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001593291333 1349767704 /nfs/dbraw/zinc/76/77/04/1349767704.db2.gz KGCMCTAKCOJLSS-UHFFFAOYSA-N -1 3 329.316 2.008 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001593291333 1349767707 /nfs/dbraw/zinc/76/77/07/1349767707.db2.gz KGCMCTAKCOJLSS-UHFFFAOYSA-N -1 3 329.316 2.008 20 5 EEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC001593308522 1349776681 /nfs/dbraw/zinc/77/66/81/1349776681.db2.gz ACVWSWPNSFVXMS-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC001593308522 1349776688 /nfs/dbraw/zinc/77/66/88/1349776688.db2.gz ACVWSWPNSFVXMS-UHFFFAOYSA-N -1 3 347.237 2.272 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCCC(F)(F)C1 ZINC001593468284 1349805156 /nfs/dbraw/zinc/80/51/56/1349805156.db2.gz CFGPOAIVQMOTLC-UHFFFAOYSA-N -1 3 328.254 2.150 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCCC(F)(F)C1 ZINC001593468284 1349805160 /nfs/dbraw/zinc/80/51/60/1349805160.db2.gz CFGPOAIVQMOTLC-UHFFFAOYSA-N -1 3 328.254 2.150 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593470437 1349805590 /nfs/dbraw/zinc/80/55/90/1349805590.db2.gz DOPDKEKHEVYTOH-CYBMUJFWSA-N -1 3 340.318 2.493 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593470437 1349805594 /nfs/dbraw/zinc/80/55/94/1349805594.db2.gz DOPDKEKHEVYTOH-CYBMUJFWSA-N -1 3 340.318 2.493 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC(CC3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476325 1349809704 /nfs/dbraw/zinc/80/97/04/1349809704.db2.gz LINQWFIFTXHDKC-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CC(CC3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476325 1349809706 /nfs/dbraw/zinc/80/97/06/1349809706.db2.gz LINQWFIFTXHDKC-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCCNc2ccccn2)cc1-c1nnn[n-]1 ZINC001593478555 1349810300 /nfs/dbraw/zinc/81/03/00/1349810300.db2.gz VQEBZXHYXPQWBK-UHFFFAOYSA-N -1 3 340.347 2.084 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCOc1ccccc1 ZINC001593482626 1349814035 /nfs/dbraw/zinc/81/40/35/1349814035.db2.gz FTPPYYKNVRIZIL-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCOc1ccccc1 ZINC001593482626 1349814042 /nfs/dbraw/zinc/81/40/42/1349814042.db2.gz FTPPYYKNVRIZIL-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1cccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001593483845 1349814195 /nfs/dbraw/zinc/81/41/95/1349814195.db2.gz LZLBIFCZHLKKRW-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM O=[N+]([O-])c1cccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001593483845 1349814196 /nfs/dbraw/zinc/81/41/96/1349814196.db2.gz LZLBIFCZHLKKRW-UHFFFAOYSA-N -1 3 342.271 2.262 20 5 EEBDHM Cc1nn(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC001600789581 1350137898 /nfs/dbraw/zinc/13/78/98/1350137898.db2.gz YBBPGCPROMNBDG-LSDHHAIUSA-N -1 3 344.371 2.253 20 5 EEBDHM C[C@@H](c1cccnc1)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603739022 1350755790 /nfs/dbraw/zinc/75/57/90/1350755790.db2.gz PKLVPQAPXMGZPQ-JTQLQIEISA-N -1 3 325.332 2.367 20 5 EEBDHM C[C@H]1C[C@H](CCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001603850002 1350782474 /nfs/dbraw/zinc/78/24/74/1350782474.db2.gz AYCYXBTXGIWAIA-WDEREUQCSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@H]1C[C@H](CCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001603850002 1350782477 /nfs/dbraw/zinc/78/24/77/1350782477.db2.gz AYCYXBTXGIWAIA-WDEREUQCSA-N -1 3 332.364 2.392 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603863776 1350785324 /nfs/dbraw/zinc/78/53/24/1350785324.db2.gz BNVIIOBFEWHWFX-GHORINQJSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603863776 1350785326 /nfs/dbraw/zinc/78/53/26/1350785326.db2.gz BNVIIOBFEWHWFX-GHORINQJSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@H]1CCCC[C@@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603890927 1350794813 /nfs/dbraw/zinc/79/48/13/1350794813.db2.gz ORFQKPSQYFJXBV-GWCFXTLKSA-N -1 3 347.379 2.177 20 5 EEBDHM C[C@H]1CCCC[C@@H]1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603890927 1350794820 /nfs/dbraw/zinc/79/48/20/1350794820.db2.gz ORFQKPSQYFJXBV-GWCFXTLKSA-N -1 3 347.379 2.177 20 5 EEBDHM CCc1csc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001604539378 1350957568 /nfs/dbraw/zinc/95/75/68/1350957568.db2.gz XJOAESFTTNYWLH-SSDOTTSWSA-N -1 3 346.376 2.362 20 5 EEBDHM CCc1csc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001604539378 1350957571 /nfs/dbraw/zinc/95/75/71/1350957571.db2.gz XJOAESFTTNYWLH-SSDOTTSWSA-N -1 3 346.376 2.362 20 5 EEBDHM COC[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605071560 1351072143 /nfs/dbraw/zinc/07/21/43/1351072143.db2.gz GRPZDTUNJZGXML-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM COC[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605071560 1351072145 /nfs/dbraw/zinc/07/21/45/1351072145.db2.gz GRPZDTUNJZGXML-NSHDSACASA-N -1 3 332.364 2.028 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC001605536108 1351183765 /nfs/dbraw/zinc/18/37/65/1351183765.db2.gz ZJCAPMMJKGJTOK-UHFFFAOYSA-N -1 3 326.272 2.083 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC001605536108 1351183768 /nfs/dbraw/zinc/18/37/68/1351183768.db2.gz ZJCAPMMJKGJTOK-UHFFFAOYSA-N -1 3 326.272 2.083 20 5 EEBDHM Cc1nccn1CCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001606098064 1351270217 /nfs/dbraw/zinc/27/02/17/1351270217.db2.gz YCKQMQKNFMSSST-UHFFFAOYSA-N -1 3 348.392 2.234 20 5 EEBDHM Cc1nccn1CCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001606098064 1351270221 /nfs/dbraw/zinc/27/02/21/1351270221.db2.gz YCKQMQKNFMSSST-UHFFFAOYSA-N -1 3 348.392 2.234 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001607077420 1351407040 /nfs/dbraw/zinc/40/70/40/1351407040.db2.gz MTRPYUIKHHZLFE-HYTIDYPLSA-N -1 3 340.265 2.370 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001607077420 1351407043 /nfs/dbraw/zinc/40/70/43/1351407043.db2.gz MTRPYUIKHHZLFE-HYTIDYPLSA-N -1 3 340.265 2.370 20 5 EEBDHM C[C@]12CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591780628 1403948078 /nfs/dbraw/zinc/94/80/78/1403948078.db2.gz PHNUGDMQTQEVRE-IANATYFASA-N -1 3 338.371 2.423 20 5 EEBDHM C[C@]12CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591780628 1403948084 /nfs/dbraw/zinc/94/80/84/1403948084.db2.gz PHNUGDMQTQEVRE-IANATYFASA-N -1 3 338.371 2.423 20 5 EEBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000910458057 786785986 /nfs/dbraw/zinc/78/59/86/786785986.db2.gz PFFUBDCXVVGRAC-LBPRGKRZSA-N -1 3 344.371 2.128 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1sccc1Cl ZINC001094183450 796006857 /nfs/dbraw/zinc/00/68/57/796006857.db2.gz ALDKAZIBRPPGLX-UHFFFAOYSA-N -1 3 342.764 2.252 20 5 EEBDHM CN(CCNC(=O)c1ccccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC001099981330 800586162 /nfs/dbraw/zinc/58/61/62/800586162.db2.gz USRFFLPPBADWRI-UHFFFAOYSA-N -1 3 333.319 2.306 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(Cl)cn1 ZINC000826497486 948411394 /nfs/dbraw/zinc/41/13/94/948411394.db2.gz IZZKLXSFRHBFFR-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc(Cl)cn1 ZINC000826497486 948411398 /nfs/dbraw/zinc/41/13/98/948411398.db2.gz IZZKLXSFRHBFFR-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM CSc1cccc(C(=O)[N-]c2nc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000457119845 295680847 /nfs/dbraw/zinc/68/08/47/295680847.db2.gz JDIRYQRWGUDGFC-UHFFFAOYSA-N -1 3 333.373 2.497 20 5 EEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000266158615 248138358 /nfs/dbraw/zinc/13/83/58/248138358.db2.gz GVHZESQUUJSAJJ-QMMMGPOBSA-N -1 3 344.780 2.021 20 5 EEBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nonc1C ZINC000270763004 256168813 /nfs/dbraw/zinc/16/88/13/256168813.db2.gz YOMLUKACIKZIGT-UHFFFAOYSA-N -1 3 338.345 2.277 20 5 EEBDHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)on1 ZINC000131262535 292385323 /nfs/dbraw/zinc/38/53/23/292385323.db2.gz MJRLVYJQALFAPS-NSHDSACASA-N -1 3 330.344 2.277 20 5 EEBDHM COc1c(F)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000188241973 160119303 /nfs/dbraw/zinc/11/93/03/160119303.db2.gz KMVLOODLPQWSMC-UHFFFAOYSA-N -1 3 325.227 2.235 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343502261 161141761 /nfs/dbraw/zinc/14/17/61/161141761.db2.gz KIHAKGUDDBZBGA-WCBMZHEXSA-N -1 3 334.419 2.201 20 5 EEBDHM Cc1ccc([O-])c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000345931895 161343600 /nfs/dbraw/zinc/34/36/00/161343600.db2.gz RPZRSPKERZIBCQ-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000352549416 162183252 /nfs/dbraw/zinc/18/32/52/162183252.db2.gz JCEGOSTWCCODBP-ZDUSSCGKSA-N -1 3 348.380 2.185 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCOC2)cc1C ZINC000355715256 163278592 /nfs/dbraw/zinc/27/85/92/163278592.db2.gz QBPQWLYGHDTFOM-STQMWFEESA-N -1 3 342.417 2.305 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000375618685 167168250 /nfs/dbraw/zinc/16/82/50/167168250.db2.gz UOCMYNFKXIRQDO-UHFFFAOYSA-N -1 3 347.396 2.390 20 5 EEBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000294537389 293480249 /nfs/dbraw/zinc/48/02/49/293480249.db2.gz ZRJTXLMLJDBJCE-UHFFFAOYSA-N -1 3 349.372 2.175 20 5 EEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000440378225 315126644 /nfs/dbraw/zinc/12/66/44/315126644.db2.gz KJFLKXQGMKKEBN-NEPJUHHUSA-N -1 3 348.808 2.340 20 5 EEBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000452041704 315488238 /nfs/dbraw/zinc/48/82/38/315488238.db2.gz KKUIGDQPRLQTDU-UHFFFAOYSA-N -1 3 342.417 2.204 20 5 EEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000540939397 318085854 /nfs/dbraw/zinc/08/58/54/318085854.db2.gz OVLBUDFRNYNMTK-UHFFFAOYSA-N -1 3 342.323 2.493 20 5 EEBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000575041883 320082205 /nfs/dbraw/zinc/08/22/05/320082205.db2.gz AGDZEWALGSWKSE-GFCCVEGCSA-N -1 3 330.406 2.161 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)cc1C ZINC000577055884 320227440 /nfs/dbraw/zinc/22/74/40/320227440.db2.gz QFLLFTDPVSPTJF-CQSZACIVSA-N -1 3 340.401 2.059 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000542833379 448725633 /nfs/dbraw/zinc/72/56/33/448725633.db2.gz YKBWYIIPCTXJOL-UHFFFAOYSA-N -1 3 346.343 2.411 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000542833379 448725639 /nfs/dbraw/zinc/72/56/39/448725639.db2.gz YKBWYIIPCTXJOL-UHFFFAOYSA-N -1 3 346.343 2.411 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000617760479 449820516 /nfs/dbraw/zinc/82/05/16/449820516.db2.gz MFPYJHASTFLAPT-VIFPVBQESA-N -1 3 332.316 2.237 20 5 EEBDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC000617760479 449820524 /nfs/dbraw/zinc/82/05/24/449820524.db2.gz 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EEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000781709786 1371246560 /nfs/dbraw/zinc/24/65/60/1371246560.db2.gz WCYWITNPPBLLNN-UHFFFAOYSA-N -1 3 346.299 2.079 20 5 EEBDHM CCc1ccoc1C(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100704032 1410698034 /nfs/dbraw/zinc/69/80/34/1410698034.db2.gz GHCMRKGNCQXVPE-UHFFFAOYSA-N -1 3 348.359 2.107 20 5 EEBDHM CC/C=C(\C)C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112041690 765099776 /nfs/dbraw/zinc/09/97/76/765099776.db2.gz XFXHMMXMWDTKNQ-KPKJPENVSA-N -1 3 336.392 2.336 20 5 EEBDHM O=C(NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1[O-] ZINC001031554425 769579042 /nfs/dbraw/zinc/57/90/42/769579042.db2.gz VXZFCVCWBSCEKX-UHFFFAOYSA-N -1 3 341.367 2.162 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001109663501 805854729 /nfs/dbraw/zinc/85/47/29/805854729.db2.gz MHAWEVRETFLSHW-UHFFFAOYSA-N -1 3 344.371 2.199 20 5 EEBDHM C[C@@H]1Cc2cc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2O1 ZINC000921591364 789792678 /nfs/dbraw/zinc/79/26/78/789792678.db2.gz SWRCMJDMVUYABR-LLVKDONJSA-N -1 3 348.380 2.397 20 5 EEBDHM CCC(=CC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)CC ZINC001093145554 794724677 /nfs/dbraw/zinc/72/46/77/794724677.db2.gz NEDNGFZDTMMFSQ-UHFFFAOYSA-N -1 3 334.376 2.090 20 5 EEBDHM Cc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC001093606905 795448496 /nfs/dbraw/zinc/44/84/96/795448496.db2.gz CYICRCBJLGZBEA-UHFFFAOYSA-N -1 3 330.344 2.154 20 5 EEBDHM CCc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001093606925 795448633 /nfs/dbraw/zinc/44/86/33/795448633.db2.gz DZZKQXIBCUMAOO-UHFFFAOYSA-N -1 3 330.344 2.100 20 5 EEBDHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000952992520 796137685 /nfs/dbraw/zinc/13/76/85/796137685.db2.gz HMNIICAKIXQQNI-UHFFFAOYSA-N -1 3 344.375 2.183 20 5 EEBDHM O=C(CCC(F)F)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095243270 797582327 /nfs/dbraw/zinc/58/23/27/797582327.db2.gz ZTGACFQPOXKTTC-UHFFFAOYSA-N -1 3 344.318 2.144 20 5 EEBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC001575123498 952015444 /nfs/dbraw/zinc/01/54/44/952015444.db2.gz DRIVYGINBKMELQ-SNVBAGLBSA-N -1 3 325.332 2.386 20 5 EEBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1[N+](=O)[O-] ZINC001575123498 952015449 /nfs/dbraw/zinc/01/54/49/952015449.db2.gz DRIVYGINBKMELQ-SNVBAGLBSA-N -1 3 325.332 2.386 20 5 EEBDHM CC[C@](COC)(NCc1cc([N+](=O)[O-])ccc1OC(C)C)C(=O)[O-] ZINC001595199465 979941165 /nfs/dbraw/zinc/94/11/65/979941165.db2.gz HNBVRHXVHKBFIY-MRXNPFEDSA-N -1 3 340.376 2.351 20 5 EEBDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000068962679 215349068 /nfs/dbraw/zinc/34/90/68/215349068.db2.gz SWVWACMCMAHLLO-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000068962679 215349072 /nfs/dbraw/zinc/34/90/72/215349072.db2.gz SWVWACMCMAHLLO-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM Cc1nnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000273162040 256271253 /nfs/dbraw/zinc/27/12/53/256271253.db2.gz KJRHHAYLFAQLQQ-UHFFFAOYSA-N -1 3 329.238 2.303 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C ZINC000155010129 224342271 /nfs/dbraw/zinc/34/22/71/224342271.db2.gz CWLOOZHEFMIAEC-AWEZNQCLSA-N -1 3 344.433 2.225 20 5 EEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cnn1-c1ccccc1 ZINC000120043325 292250246 /nfs/dbraw/zinc/25/02/46/292250246.db2.gz DSLFGPXHZDJYMQ-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CCCCOC(C)C)cc1[N+](=O)[O-] ZINC000127008114 292318702 /nfs/dbraw/zinc/31/87/02/292318702.db2.gz YFRLSLMMXFFOSF-UHFFFAOYSA-N -1 3 336.435 2.448 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C ZINC000359938557 164200414 /nfs/dbraw/zinc/20/04/14/164200414.db2.gz LOVOVXSPQNFMOX-WDEREUQCSA-N -1 3 328.390 2.318 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000360474095 164317517 /nfs/dbraw/zinc/31/75/17/164317517.db2.gz NDMSGXSRMUVQRX-MRVPVSSYSA-N -1 3 344.780 2.021 20 5 EEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000275100891 274222490 /nfs/dbraw/zinc/22/24/90/274222490.db2.gz TVZNZAUBNKHNAT-KCJUWKMLSA-N -1 3 332.353 2.209 20 5 EEBDHM O=C([N-]C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289458318 275117582 /nfs/dbraw/zinc/11/75/82/275117582.db2.gz LSLLOCAHEXUUNR-LLVKDONJSA-N -1 3 345.321 2.485 20 5 EEBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000292136027 275382303 /nfs/dbraw/zinc/38/23/03/275382303.db2.gz YLIRVKMCOSIYHL-UHFFFAOYSA-N -1 3 339.373 2.322 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CCCCCC1 ZINC000058561613 281262098 /nfs/dbraw/zinc/26/20/98/281262098.db2.gz DXXAUQNNSCSPIO-UHFFFAOYSA-N -1 3 341.433 2.058 20 5 EEBDHM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN(C2CCC2)C1 ZINC000293616658 293252611 /nfs/dbraw/zinc/25/26/11/293252611.db2.gz FEVNYUBWTTUTSV-GFCCVEGCSA-N -1 3 333.388 2.247 20 5 EEBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(C2CCCCC2)CC1 ZINC000184865295 304533363 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20 5 EEBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000416654170 313287250 /nfs/dbraw/zinc/28/72/50/313287250.db2.gz VQDLATOLYVNECL-LBPRGKRZSA-N -1 3 330.406 2.243 20 5 EEBDHM CCOc1cc(CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565962371 319231493 /nfs/dbraw/zinc/23/14/93/319231493.db2.gz PSUGAGCHBWFKOL-GXTWGEPZSA-N -1 3 338.360 2.058 20 5 EEBDHM C[C@@H]1C[C@@H]1N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000576994414 320222753 /nfs/dbraw/zinc/22/27/53/320222753.db2.gz OLRZJCQLQUULNS-ZOWXZIJZSA-N -1 3 333.388 2.460 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000189832955 533707911 /nfs/dbraw/zinc/70/79/11/533707911.db2.gz RQTSBADLVOIHKC-RYUDHWBXSA-N -1 3 328.390 2.057 20 5 EEBDHM O=C(c1cccc([O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000060355971 462542734 /nfs/dbraw/zinc/54/27/34/462542734.db2.gz IFIIGEFYEBBRMD-UHFFFAOYSA-N -1 3 345.330 2.402 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]CCSC(C)(C)C)c([N+](=O)[O-])c1 ZINC000066936241 462950136 /nfs/dbraw/zinc/95/01/36/462950136.db2.gz UETNGICDOWAEGM-UHFFFAOYSA-N -1 3 348.446 2.413 20 5 EEBDHM NC(=O)c1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000133863819 462979349 /nfs/dbraw/zinc/97/93/49/462979349.db2.gz JFKIBXRLJZDSBE-UHFFFAOYSA-N -1 3 326.721 2.056 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157786841 463169723 /nfs/dbraw/zinc/16/97/23/463169723.db2.gz MORCEFGPPHWJHY-JSGCOSHPSA-N -1 3 342.417 2.448 20 5 EEBDHM COCc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000026971272 463178782 /nfs/dbraw/zinc/17/87/82/463178782.db2.gz ZKXUOGYUQUBWOX-UHFFFAOYSA-N -1 3 336.369 2.220 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1 ZINC000121810295 463199125 /nfs/dbraw/zinc/19/91/25/463199125.db2.gz HRNZSPNPMUXRIU-ONGXEEELSA-N -1 3 348.808 2.078 20 5 EEBDHM Cn1cnc([N+](=O)[O-])c1Sc1nnc([N-]CC(F)(F)F)s1 ZINC000057829558 463522021 /nfs/dbraw/zinc/52/20/21/463522021.db2.gz UNYHQNQDDJKAKE-UHFFFAOYSA-N 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CCOC[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609240197 1351905571 /nfs/dbraw/zinc/90/55/71/1351905571.db2.gz QFANQCUIURXURL-LBPRGKRZSA-N -1 3 346.391 2.336 20 5 EEBDHM CCn1nc(C)c(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1C ZINC001609259794 1351914233 /nfs/dbraw/zinc/91/42/33/1351914233.db2.gz QHROQZICZOQHRM-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM CCn1nc(C)c(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1C ZINC001609259794 1351914234 /nfs/dbraw/zinc/91/42/34/1351914234.db2.gz QHROQZICZOQHRM-UHFFFAOYSA-N -1 3 342.363 2.220 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CCSC3(CCC3)CC2)c(-c2nnn[n-]2)c1 ZINC001609603450 1352032949 /nfs/dbraw/zinc/03/29/49/1352032949.db2.gz FKAKXONCQWEGQJ-UHFFFAOYSA-N -1 3 347.404 2.036 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CCSC3(CCC3)CC2)c(-c2nn[n-]n2)c1 ZINC001609603450 1352032952 /nfs/dbraw/zinc/03/29/52/1352032952.db2.gz FKAKXONCQWEGQJ-UHFFFAOYSA-N -1 3 347.404 2.036 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001581213988 1344599144 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2.406 20 5 EEBDHM CSC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591697152 1349529794 /nfs/dbraw/zinc/52/97/94/1349529794.db2.gz CHEDGBMCYSVVEE-JTQLQIEISA-N -1 3 334.405 2.354 20 5 EEBDHM CSC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591697152 1349529798 /nfs/dbraw/zinc/52/97/98/1349529798.db2.gz CHEDGBMCYSVVEE-JTQLQIEISA-N -1 3 334.405 2.354 20 5 EEBDHM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592034450 1349586370 /nfs/dbraw/zinc/58/63/70/1349586370.db2.gz PIMMZSUUUGNUFA-WDEREUQCSA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592034450 1349586374 /nfs/dbraw/zinc/58/63/74/1349586374.db2.gz PIMMZSUUUGNUFA-WDEREUQCSA-N -1 3 332.364 2.310 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(CC2CCOCC2)C1 ZINC001593468424 1349805320 /nfs/dbraw/zinc/80/53/20/1349805320.db2.gz NBZDKPHAOCUFBV-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(CC2CCOCC2)C1 ZINC001593468424 1349805324 /nfs/dbraw/zinc/80/53/24/1349805324.db2.gz NBZDKPHAOCUFBV-UHFFFAOYSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCc2cccnc21 ZINC001593481196 1349812589 /nfs/dbraw/zinc/81/25/89/1349812589.db2.gz PLVYLYOBISAWDP-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CCc2cccnc21 ZINC001593481196 1349812591 /nfs/dbraw/zinc/81/25/91/1349812591.db2.gz PLVYLYOBISAWDP-LLVKDONJSA-N -1 3 337.343 2.312 20 5 EEBDHM O=[N+]([O-])c1ccccc1N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593484831 1349814286 /nfs/dbraw/zinc/81/42/86/1349814286.db2.gz HGCZMZLFKAHREX-UHFFFAOYSA-N -1 3 337.343 2.076 20 5 EEBDHM O=[N+]([O-])c1ccccc1N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593484831 1349814291 /nfs/dbraw/zinc/81/42/91/1349814291.db2.gz HGCZMZLFKAHREX-UHFFFAOYSA-N -1 3 337.343 2.076 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001593484427 1349814497 /nfs/dbraw/zinc/81/44/97/1349814497.db2.gz ZBIZKISMJLMCDV-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001593484427 1349814503 /nfs/dbraw/zinc/81/45/03/1349814503.db2.gz ZBIZKISMJLMCDV-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM C[C@H]1c2cccn2CCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603958962 1350814395 /nfs/dbraw/zinc/81/43/95/1350814395.db2.gz TWDMUTZRJFARRM-NSHDSACASA-N -1 3 339.359 2.153 20 5 EEBDHM C[C@H]1c2cccn2CCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603958962 1350814400 /nfs/dbraw/zinc/81/44/00/1350814400.db2.gz TWDMUTZRJFARRM-NSHDSACASA-N -1 3 339.359 2.153 20 5 EEBDHM Cc1cc(OCc2cc(-c3nnn[n-]3)ccn2)c(F)cc1[N+](=O)[O-] ZINC001605747692 1351221187 /nfs/dbraw/zinc/22/11/87/1351221187.db2.gz UCPCPRZSBYWZPX-UHFFFAOYSA-N -1 3 330.279 2.196 20 5 EEBDHM Cc1cc(OCc2cc(-c3nn[n-]n3)ccn2)c(F)cc1[N+](=O)[O-] ZINC001605747692 1351221192 /nfs/dbraw/zinc/22/11/92/1351221192.db2.gz UCPCPRZSBYWZPX-UHFFFAOYSA-N -1 3 330.279 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1cccc(F)n1 ZINC001607077764 1351407612 /nfs/dbraw/zinc/40/76/12/1351407612.db2.gz RSMSNTWAKWBSHV-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1cccc(F)n1 ZINC001607077764 1351407613 /nfs/dbraw/zinc/40/76/13/1351407613.db2.gz RSMSNTWAKWBSHV-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(NCc2ccn3ccnc3c2)ccc1-c1nnn[n-]1 ZINC001607079398 1351408392 /nfs/dbraw/zinc/40/83/92/1351408392.db2.gz HCYVHNAOCJWZQF-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cc(NCc2ccn3ccnc3c2)ccc1-c1nn[n-]n1 ZINC001607079398 1351408396 /nfs/dbraw/zinc/40/83/96/1351408396.db2.gz HCYVHNAOCJWZQF-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCC12CCOCC2 ZINC001607079056 1351408635 /nfs/dbraw/zinc/40/86/35/1351408635.db2.gz FVGJJDGEBWJSOS-GFCCVEGCSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC12CCOCC2 ZINC001607079056 1351408639 /nfs/dbraw/zinc/40/86/39/1351408639.db2.gz FVGJJDGEBWJSOS-GFCCVEGCSA-N -1 3 344.375 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(Oc2ncc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1 ZINC001607079374 1351408642 /nfs/dbraw/zinc/40/86/42/1351408642.db2.gz GTHXRALJMVRXKI-UHFFFAOYSA-N -1 3 347.222 2.010 20 5 EEBDHM O=[N+]([O-])c1cc(Oc2ncc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1 ZINC001607079374 1351408646 /nfs/dbraw/zinc/40/86/46/1351408646.db2.gz GTHXRALJMVRXKI-UHFFFAOYSA-N -1 3 347.222 2.010 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](CCO)C2CCCC2)ccc1-c1nnn[n-]1 ZINC001607079912 1351409371 /nfs/dbraw/zinc/40/93/71/1351409371.db2.gz OOWRIQUYHQQLFF-ZDUSSCGKSA-N -1 3 332.364 2.128 20 5 EEBDHM Cc1ccc(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001592151249 1404009357 /nfs/dbraw/zinc/00/93/57/1404009357.db2.gz LAOJSGBEIWXTDO-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM Cc1ccc(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001592151249 1404009367 /nfs/dbraw/zinc/00/93/67/1404009367.db2.gz LAOJSGBEIWXTDO-UHFFFAOYSA-N -1 3 343.322 2.272 20 5 EEBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc([N+](=O)[O-])o1 ZINC000781987525 770339991 /nfs/dbraw/zinc/33/99/91/770339991.db2.gz URRHEQMAIVLWSE-UHFFFAOYSA-N -1 3 331.240 2.300 20 5 EEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000820002164 785759792 /nfs/dbraw/zinc/75/97/92/785759792.db2.gz LJLVSMNKBNYAGK-UHFFFAOYSA-N -1 3 335.276 2.186 20 5 EEBDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000952994858 796142077 /nfs/dbraw/zinc/14/20/77/796142077.db2.gz VPGSAEBAALXAES-GFCCVEGCSA-N -1 3 329.360 2.480 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000126122750 222656364 /nfs/dbraw/zinc/65/63/64/222656364.db2.gz OWMKIWMUHDIWDR-ZDUSSCGKSA-N -1 3 330.431 2.467 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccncc2)cc1C ZINC000268566380 252028083 /nfs/dbraw/zinc/02/80/83/252028083.db2.gz KNTNEVJBUFYBLC-UHFFFAOYSA-N -1 3 335.385 2.128 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000158503344 291904392 /nfs/dbraw/zinc/90/43/92/291904392.db2.gz UZTOERDVOYZPND-LBPRGKRZSA-N -1 3 334.781 2.014 20 5 EEBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000266262593 285648461 /nfs/dbraw/zinc/64/84/61/285648461.db2.gz ZPHRCHKTXFLMMF-VXGBXAGGSA-N -1 3 348.808 2.484 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000072752871 159044879 /nfs/dbraw/zinc/04/48/79/159044879.db2.gz LOPPDSVABKPYHA-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000072752871 159044880 /nfs/dbraw/zinc/04/48/80/159044880.db2.gz LOPPDSVABKPYHA-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc([N-]C(=O)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])c1 ZINC000078426231 159118082 /nfs/dbraw/zinc/11/80/82/159118082.db2.gz BKLCHUILMWRNCL-UHFFFAOYSA-N -1 3 339.311 2.436 20 5 EEBDHM CCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000352502043 162161179 /nfs/dbraw/zinc/16/11/79/162161179.db2.gz ZHUNVOMHOROKPF-LLVKDONJSA-N -1 3 347.462 2.117 20 5 EEBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352634110 162220239 /nfs/dbraw/zinc/22/02/39/162220239.db2.gz WKHDEXHAHOHXKV-ZJUUUORDSA-N -1 3 348.808 2.199 20 5 EEBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3cccnc3)cs2)c1[N+](=O)[O-] ZINC000358940611 164019648 /nfs/dbraw/zinc/01/96/48/164019648.db2.gz VDMNVZYTWJRFNM-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000360515425 164327144 /nfs/dbraw/zinc/32/71/44/164327144.db2.gz OQQDWPSUTIKJQU-NSHDSACASA-N -1 3 330.406 2.060 20 5 EEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000360667399 164360857 /nfs/dbraw/zinc/36/08/57/164360857.db2.gz XCMPHAIJDZSNMN-NXEZZACHSA-N -1 3 347.824 2.009 20 5 EEBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000123771205 222330333 /nfs/dbraw/zinc/33/03/33/222330333.db2.gz PXGLNXKRBGACIU-CYBMUJFWSA-N -1 3 344.433 2.289 20 5 EEBDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000123421544 222275477 /nfs/dbraw/zinc/27/54/77/222275477.db2.gz XOLGYGGMEHZUOD-UHFFFAOYSA-N -1 3 330.406 2.041 20 5 EEBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)OC ZINC000289522660 275124028 /nfs/dbraw/zinc/12/40/28/275124028.db2.gz MLFQQPLXNVCKBZ-VIFPVBQESA-N -1 3 336.797 2.260 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000190079187 301557780 /nfs/dbraw/zinc/55/77/80/301557780.db2.gz XHFBESMPZKKZFI-OLZOCXBDSA-N -1 3 342.417 2.041 20 5 EEBDHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313117306 311586056 /nfs/dbraw/zinc/58/60/56/311586056.db2.gz OVPTYDWUPCUVDA-ONGXEEELSA-N -1 3 336.797 2.076 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000416532374 313248414 /nfs/dbraw/zinc/24/84/14/313248414.db2.gz REPRODZYRZSDEZ-ZYHUDNBSSA-N -1 3 328.390 2.316 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)O2)cc1C ZINC000416538368 313250284 /nfs/dbraw/zinc/25/02/84/313250284.db2.gz WHDBYAJICCCTIC-RYUDHWBXSA-N -1 3 328.390 2.057 20 5 EEBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000416541932 313251761 /nfs/dbraw/zinc/25/17/61/313251761.db2.gz DFECHRKYQYKBMJ-GFCCVEGCSA-N -1 3 348.380 2.049 20 5 EEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OCC1CC1 ZINC000416589678 313267071 /nfs/dbraw/zinc/26/70/71/313267071.db2.gz GFANCZHRQKJWPX-UHFFFAOYSA-N -1 3 346.380 2.217 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@H]2C)c1C ZINC000416613001 313273592 /nfs/dbraw/zinc/27/35/92/313273592.db2.gz ZOVMJBPWOWFFHN-WXHSDQCUSA-N -1 3 342.417 2.303 20 5 EEBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000444984593 315335989 /nfs/dbraw/zinc/33/59/89/315335989.db2.gz JXFBWUWKDWXVLE-UHFFFAOYSA-N -1 3 333.348 2.499 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCN(C3CCCC3)CC2)n1 ZINC000566294035 319271146 /nfs/dbraw/zinc/27/11/46/319271146.db2.gz PDFQTXWQVONVKC-UHFFFAOYSA-N -1 3 348.403 2.451 20 5 EEBDHM CCCN(CCN1CCCC1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576587193 320186147 /nfs/dbraw/zinc/18/61/47/320186147.db2.gz BHLRGAGRXAMSRP-UHFFFAOYSA-N -1 3 336.392 2.309 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCOCC2)c(Cl)c1 ZINC000358380888 465090264 /nfs/dbraw/zinc/09/02/64/465090264.db2.gz GPDKOAMIDYPPLP-UHFFFAOYSA-N -1 3 348.808 2.343 20 5 EEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558072 468272947 /nfs/dbraw/zinc/27/29/47/468272947.db2.gz NHKDNZUBURHGNE-UHFFFAOYSA-N -1 3 342.311 2.828 20 5 EEBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])s2)s1 ZINC000064029364 462686037 /nfs/dbraw/zinc/68/60/37/462686037.db2.gz OFJXRNNRSWDGKY-UHFFFAOYSA-N -1 3 333.416 2.238 20 5 EEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000156131029 462983069 /nfs/dbraw/zinc/98/30/69/462983069.db2.gz IWNXNNAUPMPHIG-LBPRGKRZSA-N -1 3 334.781 2.096 20 5 EEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000025374122 463121884 /nfs/dbraw/zinc/12/18/84/463121884.db2.gz KLXGVZSPDPGNAF-UHFFFAOYSA-N -1 3 349.368 2.032 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135556844 463174382 /nfs/dbraw/zinc/17/43/82/463174382.db2.gz SSJISGLIPHWAMX-UHFFFAOYSA-N -1 3 338.327 2.259 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135556844 463174386 /nfs/dbraw/zinc/17/43/86/463174386.db2.gz SSJISGLIPHWAMX-UHFFFAOYSA-N -1 3 338.327 2.259 20 5 EEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000069129203 463210931 /nfs/dbraw/zinc/21/09/31/463210931.db2.gz NSDOAHKSUWMLDU-VIFPVBQESA-N -1 3 347.824 2.009 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)cc1C ZINC000158326343 463225929 /nfs/dbraw/zinc/22/59/29/463225929.db2.gz ZWEOXTLPOAHIIO-GXTWGEPZSA-N -1 3 342.417 2.041 20 5 EEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124384749 463416204 /nfs/dbraw/zinc/41/62/04/463416204.db2.gz MPJNOFJBZPYAJZ-NSHDSACASA-N -1 3 336.435 2.040 20 5 EEBDHM Cc1c(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)cccc1[N+](=O)[O-] ZINC000162576576 463521637 /nfs/dbraw/zinc/52/16/37/463521637.db2.gz UYEZDJWWWCKGNR-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)cccc1[N+](=O)[O-] ZINC000162576576 463521642 /nfs/dbraw/zinc/52/16/42/463521642.db2.gz UYEZDJWWWCKGNR-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1c(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC000162576576 463521647 /nfs/dbraw/zinc/52/16/47/463521647.db2.gz UYEZDJWWWCKGNR-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM CC(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269498500 464002393 /nfs/dbraw/zinc/00/23/93/464002393.db2.gz WGPUHUWQGQBXTJ-UHFFFAOYSA-N -1 3 337.195 2.292 20 5 EEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C)n1 ZINC000554226017 468392388 /nfs/dbraw/zinc/39/23/88/468392388.db2.gz ICXHBTYFEAMMDO-UHFFFAOYSA-N -1 3 340.137 2.047 20 5 EEBDHM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176203711 464719877 /nfs/dbraw/zinc/71/98/77/464719877.db2.gz DBYKKWZJXSXAAW-UHFFFAOYSA-N -1 3 327.296 2.467 20 5 EEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000337991584 465735202 /nfs/dbraw/zinc/73/52/02/465735202.db2.gz XZYRUYUYYFHZEY-UHFFFAOYSA-N -1 3 332.263 3.026 20 5 EEBDHM C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346239176 466019088 /nfs/dbraw/zinc/01/90/88/466019088.db2.gz OXWUVMUQCDIYAD-MQIPJXDCSA-N -1 3 333.388 2.103 20 5 EEBDHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000313117302 466535303 /nfs/dbraw/zinc/53/53/03/466535303.db2.gz OVPTYDWUPCUVDA-MWLCHTKSSA-N -1 3 336.797 2.076 20 5 EEBDHM COC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCC1 ZINC000339009651 466567263 /nfs/dbraw/zinc/56/72/63/466567263.db2.gz UGAYXEFSANRSCJ-UHFFFAOYSA-N -1 3 334.419 2.202 20 5 EEBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H](O)CC ZINC000451983065 467294170 /nfs/dbraw/zinc/29/41/70/467294170.db2.gz UOBYWSCBSISGMJ-NEPJUHHUSA-N -1 3 330.406 2.039 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCC1(O)CCC1 ZINC000420723902 467463759 /nfs/dbraw/zinc/46/37/59/467463759.db2.gz ZFBPRQHBZWJHHF-UHFFFAOYSA-N -1 3 348.808 2.222 20 5 EEBDHM CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1N(C)C ZINC000571565426 468807184 /nfs/dbraw/zinc/80/71/84/468807184.db2.gz IJQLZBWSJLBBHI-QWHCGFSZSA-N -1 3 339.417 2.083 20 5 EEBDHM CCOCCCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601310598 468821513 /nfs/dbraw/zinc/82/15/13/468821513.db2.gz RCZKUNMFCXZHCB-UHFFFAOYSA-N -1 3 334.369 2.137 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000601388732 468853774 /nfs/dbraw/zinc/85/37/74/468853774.db2.gz YXYJIRPTEVRVNU-QWRGUYRKSA-N -1 3 346.380 2.136 20 5 EEBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598610948 468932750 /nfs/dbraw/zinc/93/27/50/468932750.db2.gz FTAMEKBANIEOCN-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(N)=O)sc2C)c1 ZINC000610732976 469054492 /nfs/dbraw/zinc/05/44/92/469054492.db2.gz VNKIMICFIOHWSZ-UHFFFAOYSA-N -1 3 335.341 2.325 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)COCC2CC2)c1[N+](=O)[O-] ZINC000593654381 469080784 /nfs/dbraw/zinc/08/07/84/469080784.db2.gz PGHSLOGIXWLLSH-GFCCVEGCSA-N -1 3 342.417 2.305 20 5 EEBDHM O=C(CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000596089764 469151161 /nfs/dbraw/zinc/15/11/61/469151161.db2.gz WHQNJUBQUCXCAC-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000596227248 469212514 /nfs/dbraw/zinc/21/25/14/469212514.db2.gz TYPCRHWKYSXUHG-AWEZNQCLSA-N -1 3 328.372 2.059 20 5 EEBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OCC ZINC000599367542 469230836 /nfs/dbraw/zinc/23/08/36/469230836.db2.gz IYFGYANFVLPVKQ-GFCCVEGCSA-N -1 3 346.405 2.087 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[n-]1 ZINC000619449408 469611149 /nfs/dbraw/zinc/61/11/49/469611149.db2.gz GABVDGHCMCEALV-UHFFFAOYSA-N -1 3 348.315 2.064 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c[n-]1 ZINC000619449408 469611153 /nfs/dbraw/zinc/61/11/53/469611153.db2.gz GABVDGHCMCEALV-UHFFFAOYSA-N -1 3 348.315 2.064 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000613477244 469719137 /nfs/dbraw/zinc/71/91/37/469719137.db2.gz QVBRKWQQSSTOBZ-SSDOTTSWSA-N -1 3 326.346 2.431 20 5 EEBDHM O=C(c1cccc([O-])c1)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610278131 469999238 /nfs/dbraw/zinc/99/92/38/469999238.db2.gz YNOMMDXOEIJWBY-UHFFFAOYSA-N -1 3 333.369 2.324 20 5 EEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000738234338 578005146 /nfs/dbraw/zinc/00/51/46/578005146.db2.gz BTKDPXIMDKNITK-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000738234338 578005147 /nfs/dbraw/zinc/00/51/47/578005147.db2.gz BTKDPXIMDKNITK-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(Oc2ccccc2)C1 ZINC000738360558 578010751 /nfs/dbraw/zinc/01/07/51/578010751.db2.gz YEBMXGNLDVBDKK-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(Oc2ccccc2)C1 ZINC000738360558 578010752 /nfs/dbraw/zinc/01/07/52/578010752.db2.gz YEBMXGNLDVBDKK-UHFFFAOYSA-N -1 3 338.327 2.043 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738367309 578010982 /nfs/dbraw/zinc/01/09/82/578010982.db2.gz QLPFVPPHKUGAOX-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738367309 578010983 /nfs/dbraw/zinc/01/09/83/578010983.db2.gz QLPFVPPHKUGAOX-UHFFFAOYSA-N -1 3 326.316 2.266 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CCO)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000738368351 578011030 /nfs/dbraw/zinc/01/10/30/578011030.db2.gz CPGUEIHROQCCBE-LBPRGKRZSA-N -1 3 346.372 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@@H](CCO)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000738368351 578011031 /nfs/dbraw/zinc/01/10/31/578011031.db2.gz CPGUEIHROQCCBE-LBPRGKRZSA-N -1 3 346.372 2.372 20 5 EEBDHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000731914897 577134053 /nfs/dbraw/zinc/13/40/53/577134053.db2.gz BBRFSSRIACZHPM-QMMMGPOBSA-N -1 3 349.274 2.019 20 5 EEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000768843484 577563828 /nfs/dbraw/zinc/56/38/28/577563828.db2.gz VGHBGNDLNQRBEY-WCQGTBRESA-N -1 3 346.430 2.138 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccc2)c(F)c1 ZINC000760597423 577666559 /nfs/dbraw/zinc/66/65/59/577666559.db2.gz RBPZQEFMZRCXSI-UHFFFAOYSA-N -1 3 339.348 2.124 20 5 EEBDHM C[C@H](C(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000762278583 577698587 /nfs/dbraw/zinc/69/85/87/577698587.db2.gz YVLITPKONJZRKX-ZETCQYMHSA-N -1 3 343.265 2.152 20 5 EEBDHM C[C@H](C(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000762278583 577698588 /nfs/dbraw/zinc/69/85/88/577698588.db2.gz YVLITPKONJZRKX-ZETCQYMHSA-N -1 3 343.265 2.152 20 5 EEBDHM C[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000762278583 577698589 /nfs/dbraw/zinc/69/85/89/577698589.db2.gz YVLITPKONJZRKX-ZETCQYMHSA-N -1 3 343.265 2.152 20 5 EEBDHM COc1ccc(C[N-]C(=O)C(F)(F)c2nccs2)cc1[N+](=O)[O-] ZINC000756475189 577844786 /nfs/dbraw/zinc/84/47/86/577844786.db2.gz YQECVNJOZSYVSH-UHFFFAOYSA-N -1 3 343.311 2.468 20 5 EEBDHM Cc1nc(C)c(CC(=O)OCc2ccc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000746957967 577936908 /nfs/dbraw/zinc/93/69/08/577936908.db2.gz FHSQUPWSRQYTCU-UHFFFAOYSA-N -1 3 335.291 2.132 20 5 EEBDHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000737383594 578254059 /nfs/dbraw/zinc/25/40/59/578254059.db2.gz CLJCDPCJOOQSGJ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000737383594 578254060 /nfs/dbraw/zinc/25/40/60/578254060.db2.gz CLJCDPCJOOQSGJ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM CC(C)CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820081273 599499442 /nfs/dbraw/zinc/49/94/42/599499442.db2.gz AGSGJJWLOXZICT-UHFFFAOYSA-N -1 3 327.348 2.415 20 5 EEBDHM CC(C)CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820081273 599499443 /nfs/dbraw/zinc/49/94/43/599499443.db2.gz AGSGJJWLOXZICT-UHFFFAOYSA-N -1 3 327.348 2.415 20 5 EEBDHM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000819988188 606205256 /nfs/dbraw/zinc/20/52/56/606205256.db2.gz UCCFTSCHJSZGQQ-UHFFFAOYSA-N -1 3 328.332 2.393 20 5 EEBDHM CC(C)(NCc1ccc(-c2nn[n-]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000819988188 606205258 /nfs/dbraw/zinc/20/52/58/606205258.db2.gz UCCFTSCHJSZGQQ-UHFFFAOYSA-N -1 3 328.332 2.393 20 5 EEBDHM CC(C)[C@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820044516 606473407 /nfs/dbraw/zinc/47/34/07/606473407.db2.gz GXJFQNHFSVZZFG-IINYFYTJSA-N -1 3 332.364 2.248 20 5 EEBDHM CC(C)[C@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820044516 606473409 /nfs/dbraw/zinc/47/34/09/606473409.db2.gz GXJFQNHFSVZZFG-IINYFYTJSA-N -1 3 332.364 2.248 20 5 EEBDHM CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821230781 606592052 /nfs/dbraw/zinc/59/20/52/606592052.db2.gz RAIYONNMRPPVBF-UHFFFAOYSA-N -1 3 325.332 2.196 20 5 EEBDHM CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821230781 606592053 /nfs/dbraw/zinc/59/20/53/606592053.db2.gz RAIYONNMRPPVBF-UHFFFAOYSA-N -1 3 325.332 2.196 20 5 EEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[nH]n2)[n-]1 ZINC000826267666 607778648 /nfs/dbraw/zinc/77/86/48/607778648.db2.gz PPINIJDLNJCHIP-UHFFFAOYSA-N -1 3 348.706 2.284 20 5 EEBDHM O=[N+]([O-])c1cccc([C@H](O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826499236 607873472 /nfs/dbraw/zinc/87/34/72/607873472.db2.gz AKYJYVDBSAPDNE-CQSZACIVSA-N -1 3 345.290 2.026 20 5 EEBDHM O=[N+]([O-])c1cccc([C@H](O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826499236 607873473 /nfs/dbraw/zinc/87/34/73/607873473.db2.gz AKYJYVDBSAPDNE-CQSZACIVSA-N -1 3 345.290 2.026 20 5 EEBDHM Cc1ccnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826311878 609583830 /nfs/dbraw/zinc/58/38/30/609583830.db2.gz QDEKEHWFYYUNIJ-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM Cc1ccnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826311878 609583831 /nfs/dbraw/zinc/58/38/31/609583831.db2.gz QDEKEHWFYYUNIJ-UHFFFAOYSA-N -1 3 337.343 2.041 20 5 EEBDHM O=C(NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC001101274953 1245601054 /nfs/dbraw/zinc/60/10/54/1245601054.db2.gz FUTUYFIFGPJKKF-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM CC(C)(C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001057927975 1248127382 /nfs/dbraw/zinc/12/73/82/1248127382.db2.gz ZVLYPLYUMVBPOO-UHFFFAOYSA-N -1 3 348.403 2.217 20 5 EEBDHM O=C(N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1=CCCC1 ZINC001068474020 1251130529 /nfs/dbraw/zinc/13/05/29/1251130529.db2.gz YBFCMZQJEAFKPB-UMSPYCQHSA-N -1 3 332.360 2.112 20 5 EEBDHM CCc1ccc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)o1 ZINC001110391936 1279455015 /nfs/dbraw/zinc/45/50/15/1279455015.db2.gz NAEGGFNSDYHXDH-UHFFFAOYSA-N -1 3 346.343 2.225 20 5 EEBDHM CN(CCCNC(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853353024 1292360629 /nfs/dbraw/zinc/36/06/29/1292360629.db2.gz NXNCDICREVHUEJ-UHFFFAOYSA-N -1 3 326.353 2.046 20 5 EEBDHM CC(C)N(CCCNC(=O)/C=C\C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102096418 1300293733 /nfs/dbraw/zinc/29/37/33/1300293733.db2.gz GMKKAGNYQBMHCX-SREVYHEPSA-N -1 3 348.403 2.383 20 5 EEBDHM C[C@H]1[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CN1C(=O)OC(C)(C)C ZINC001227692456 1301931545 /nfs/dbraw/zinc/93/15/45/1301931545.db2.gz YNCACPFGGYGNIB-WPRPVWTQSA-N -1 3 349.347 2.253 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001609249219 1351908496 /nfs/dbraw/zinc/90/84/96/1351908496.db2.gz BZKXGBFAXYYTNY-JTQLQIEISA-N -1 3 348.363 2.307 20 5 EEBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001609249219 1351908497 /nfs/dbraw/zinc/90/84/97/1351908497.db2.gz BZKXGBFAXYYTNY-JTQLQIEISA-N -1 3 348.363 2.307 20 5 EEBDHM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1 ZINC001609423340 1351970682 /nfs/dbraw/zinc/97/06/82/1351970682.db2.gz LNCWIJJZYJNIRX-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM Cc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1 ZINC001609423340 1351970683 /nfs/dbraw/zinc/97/06/83/1351970683.db2.gz LNCWIJJZYJNIRX-UHFFFAOYSA-N -1 3 325.332 2.115 20 5 EEBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001609575708 1352022329 /nfs/dbraw/zinc/02/23/29/1352022329.db2.gz FGJMYDUWDWYOPN-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001609575708 1352022333 /nfs/dbraw/zinc/02/23/33/1352022333.db2.gz FGJMYDUWDWYOPN-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM Cc1cc(=O)[n-]c(N2CCC(Nc3nccc(C)c3[N+](=O)[O-])CC2)n1 ZINC001340194976 1337135621 /nfs/dbraw/zinc/13/56/21/1337135621.db2.gz HDHIHXVTCFUWSB-UHFFFAOYSA-N -1 3 344.375 2.183 20 5 EEBDHM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCO1 ZINC001589517823 1348999353 /nfs/dbraw/zinc/99/93/53/1348999353.db2.gz OVMFXDKVBYLLFK-AWEZNQCLSA-N -1 3 332.364 2.026 20 5 EEBDHM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCO1 ZINC001589517823 1348999355 /nfs/dbraw/zinc/99/93/55/1348999355.db2.gz OVMFXDKVBYLLFK-AWEZNQCLSA-N -1 3 332.364 2.026 20 5 EEBDHM C[C@@H](Cc1cccnc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902085 1349058005 /nfs/dbraw/zinc/05/80/05/1349058005.db2.gz WQGVQEFBWRFIHO-JTQLQIEISA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@@H](Cc1cccnc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902085 1349058010 /nfs/dbraw/zinc/05/80/10/1349058010.db2.gz WQGVQEFBWRFIHO-JTQLQIEISA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589902231 1349058665 /nfs/dbraw/zinc/05/86/65/1349058665.db2.gz LAXQKNNDWVDJTA-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589902231 1349058670 /nfs/dbraw/zinc/05/86/70/1349058670.db2.gz LAXQKNNDWVDJTA-SNVBAGLBSA-N -1 3 325.332 2.213 20 5 EEBDHM C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001590006573 1349105125 /nfs/dbraw/zinc/10/51/25/1349105125.db2.gz ADRITHURSHCXBU-JTQLQIEISA-N -1 3 333.348 2.306 20 5 EEBDHM C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001590006573 1349105126 /nfs/dbraw/zinc/10/51/26/1349105126.db2.gz ADRITHURSHCXBU-JTQLQIEISA-N -1 3 333.348 2.306 20 5 EEBDHM CO[C@@H]1CCC[C@@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591359089 1349471938 /nfs/dbraw/zinc/47/19/38/1349471938.db2.gz ASKOIBRPUJXBHA-AMIZOPFISA-N -1 3 336.327 2.141 20 5 EEBDHM CO[C@@H]1CCC[C@@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591359089 1349471939 /nfs/dbraw/zinc/47/19/39/1349471939.db2.gz ASKOIBRPUJXBHA-AMIZOPFISA-N -1 3 336.327 2.141 20 5 EEBDHM Cc1cc(COc2ccc(C=O)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591973171 1349573660 /nfs/dbraw/zinc/57/36/60/1349573660.db2.gz YMJMVDPPZJOZAT-UHFFFAOYSA-N 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ZINC001593472140 1349806915 /nfs/dbraw/zinc/80/69/15/1349806915.db2.gz WADDROMLPPLYCU-LBPRGKRZSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1([C@@H]2CCCO2)CCC1 ZINC001593471312 1349806964 /nfs/dbraw/zinc/80/69/64/1349806964.db2.gz RATMAEAGOSVJTA-ZDUSSCGKSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1([C@@H]2CCCO2)CCC1 ZINC001593471312 1349806968 /nfs/dbraw/zinc/80/69/68/1349806968.db2.gz RATMAEAGOSVJTA-ZDUSSCGKSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1Cc2ccccc2O1 ZINC001593481124 1349812734 /nfs/dbraw/zinc/81/27/34/1349812734.db2.gz OXEZOTCEJBYKNZ-NSHDSACASA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1Cc2ccccc2O1 ZINC001593481124 1349812738 /nfs/dbraw/zinc/81/27/38/1349812738.db2.gz OXEZOTCEJBYKNZ-NSHDSACASA-N -1 3 338.327 2.191 20 5 EEBDHM O=[N+]([O-])c1cncc(Cl)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC001593487886 1349815851 /nfs/dbraw/zinc/81/58/51/1349815851.db2.gz UUHZCJHDMVTXKH-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cncc(Cl)c1OCc1cccc(-c2nn[n-]n2)c1 ZINC001593487886 1349815857 /nfs/dbraw/zinc/81/58/57/1349815857.db2.gz UUHZCJHDMVTXKH-UHFFFAOYSA-N -1 3 332.707 2.402 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC001593487510 1349815994 /nfs/dbraw/zinc/81/59/94/1349815994.db2.gz PXHCTVYPXIAHIO-WCQYABFASA-N -1 3 341.306 2.277 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC001593487510 1349815996 /nfs/dbraw/zinc/81/59/96/1349815996.db2.gz PXHCTVYPXIAHIO-WCQYABFASA-N -1 3 341.306 2.277 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603863778 1350785374 /nfs/dbraw/zinc/78/53/74/1350785374.db2.gz BNVIIOBFEWHWFX-NZBQSGDWSA-N -1 3 343.343 2.110 20 5 EEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603863778 1350785375 /nfs/dbraw/zinc/78/53/75/1350785375.db2.gz BNVIIOBFEWHWFX-NZBQSGDWSA-N -1 3 343.343 2.110 20 5 EEBDHM CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604107128 1350859754 /nfs/dbraw/zinc/85/97/54/1350859754.db2.gz CIXBNXRMIRWGRS-KGLIPLIRSA-N -1 3 346.391 2.164 20 5 EEBDHM CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604107128 1350859759 /nfs/dbraw/zinc/85/97/59/1350859759.db2.gz CIXBNXRMIRWGRS-KGLIPLIRSA-N -1 3 346.391 2.164 20 5 EEBDHM CCc1nc(C)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001604554729 1350959976 /nfs/dbraw/zinc/95/99/76/1350959976.db2.gz MOWPDMFUDZFRJB-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CCc1nc(C)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001604554729 1350959978 /nfs/dbraw/zinc/95/99/78/1350959978.db2.gz MOWPDMFUDZFRJB-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC001605628497 1351204766 /nfs/dbraw/zinc/20/47/66/1351204766.db2.gz VLYQHUPQWHPYEH-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC001605628497 1351204769 /nfs/dbraw/zinc/20/47/69/1351204769.db2.gz VLYQHUPQWHPYEH-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@@H]3CCCC[C@H]23)c1-c1nnn[n-]1 ZINC001606451978 1351305120 /nfs/dbraw/zinc/30/51/20/1351305120.db2.gz VOVXMPFPIZTUAM-ATZCPNFKSA-N -1 3 329.364 2.348 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2C[C@@H]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC001606451978 1351305123 /nfs/dbraw/zinc/30/51/23/1351305123.db2.gz VOVXMPFPIZTUAM-ATZCPNFKSA-N -1 3 329.364 2.348 20 5 EEBDHM O=[N+]([O-])c1cc(N2CCC[C@@H](OCC3CC3)C2)ccc1-c1nnn[n-]1 ZINC001607078511 1351407419 /nfs/dbraw/zinc/40/74/19/1351407419.db2.gz DLBVYEDBLYORRI-CYBMUJFWSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(c2ncco2)CC1 ZINC001607080133 1351409274 /nfs/dbraw/zinc/40/92/74/1351409274.db2.gz QNCDCDVEJIBFNF-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(c2ncco2)CC1 ZINC001607080133 1351409276 /nfs/dbraw/zinc/40/92/76/1351409276.db2.gz QNCDCDVEJIBFNF-UHFFFAOYSA-N -1 3 341.331 2.147 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CCc3c2cccc3F)c(-c2nnn[n-]2)c1 ZINC001607085979 1351412696 /nfs/dbraw/zinc/41/26/96/1351412696.db2.gz FJXUANDICFIUFY-UHFFFAOYSA-N -1 3 327.279 2.003 20 5 EEBDHM O=[N+]([O-])c1cnc(N2CCc3c2cccc3F)c(-c2nn[n-]n2)c1 ZINC001607085979 1351412697 /nfs/dbraw/zinc/41/26/97/1351412697.db2.gz FJXUANDICFIUFY-UHFFFAOYSA-N -1 3 327.279 2.003 20 5 EEBDHM Cc1ccc(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001592151405 1404007309 /nfs/dbraw/zinc/00/73/09/1404007309.db2.gz OTGAOLPHCHYHDK-UHFFFAOYSA-N -1 3 332.295 2.470 20 5 EEBDHM Cc1ccc(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001592151405 1404007317 /nfs/dbraw/zinc/00/73/17/1404007317.db2.gz OTGAOLPHCHYHDK-UHFFFAOYSA-N -1 3 332.295 2.470 20 5 EEBDHM Cc1ccnc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001592273803 1404017598 /nfs/dbraw/zinc/01/75/98/1404017598.db2.gz HREWPSZVSSTTNZ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/86/82/64/465868264.db2.gz JZDXUZSCTDPMPN-UHFFFAOYSA-N -1 3 336.373 2.297 20 5 EEBDHM COc1cc(NCCNC(=O)c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000301518968 465977572 /nfs/dbraw/zinc/97/75/72/465977572.db2.gz KRZLLXLCVPSBHO-UHFFFAOYSA-N -1 3 331.328 2.151 20 5 EEBDHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346239177 466018478 /nfs/dbraw/zinc/01/84/78/466018478.db2.gz OXWUVMUQCDIYAD-OZVIIMIRSA-N -1 3 333.388 2.103 20 5 EEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2-n2cccn2)n1 ZINC000427457793 467159087 /nfs/dbraw/zinc/15/90/87/467159087.db2.gz FQYIYEHDHBJIBH-UHFFFAOYSA-N -1 3 344.306 2.388 20 5 EEBDHM CC[C@H]1CCCCN1CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577614493 468188368 /nfs/dbraw/zinc/18/83/68/468188368.db2.gz CYOHGBFJUPRGTD-LBPRGKRZSA-N -1 3 336.392 2.673 20 5 EEBDHM CC(C)n1ncc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cnc21 ZINC000592753669 468775860 /nfs/dbraw/zinc/77/58/60/468775860.db2.gz OTRUSEGYRGJGNQ-UHFFFAOYSA-N -1 3 342.315 2.273 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601387194 468853144 /nfs/dbraw/zinc/85/31/44/468853144.db2.gz PUABAZUGIGKGPC-NXEZZACHSA-N -1 3 334.419 2.201 20 5 EEBDHM CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595883116 469062207 /nfs/dbraw/zinc/06/22/07/469062207.db2.gz VIFINZYZWYZEDZ-QMMMGPOBSA-N -1 3 348.302 2.500 20 5 EEBDHM O=c1[n-]ccc(Sc2nnc(N3CCCC3)s2)c1[N+](=O)[O-] ZINC000596089992 469150219 /nfs/dbraw/zinc/15/02/19/469150219.db2.gz SKLDOJVHIQJGMU-UHFFFAOYSA-N -1 3 325.375 2.298 20 5 EEBDHM C[C@](O)(C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C(F)(F)F ZINC000596194629 469195798 /nfs/dbraw/zinc/19/57/98/469195798.db2.gz HKHOTBYYYQFBKH-LBPRGKRZSA-N -1 3 335.282 2.225 20 5 EEBDHM CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C(=O)[O-])C1 ZINC000563213007 469200834 /nfs/dbraw/zinc/20/08/34/469200834.db2.gz JMYIPXQLURATJL-SECBINFHSA-N -1 3 347.293 2.066 20 5 EEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)OCC ZINC000599367161 469229374 /nfs/dbraw/zinc/22/93/74/469229374.db2.gz BLGAEBFQSHJVOS-LBPRGKRZSA-N -1 3 346.405 2.087 20 5 EEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OCC ZINC000599367603 469231136 /nfs/dbraw/zinc/23/11/36/469231136.db2.gz JYNDBUZQVBQPSM-NSHDSACASA-N -1 3 334.369 2.217 20 5 EEBDHM C[C@]1(c2ccc(CNc3ccsc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000608788514 469878089 /nfs/dbraw/zinc/87/80/89/469878089.db2.gz FFXIVYMFHYSCOE-OAHLLOKOSA-N -1 3 346.368 2.323 20 5 EEBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610011541 469974824 /nfs/dbraw/zinc/97/48/24/469974824.db2.gz CFOAIQMOUAEVSG-UHFFFAOYSA-N -1 3 348.286 2.141 20 5 EEBDHM COc1cc(CN[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000187367684 533894527 /nfs/dbraw/zinc/89/45/27/533894527.db2.gz HQXIEXYIPQJPAV-CQSZACIVSA-N -1 3 332.356 2.002 20 5 EEBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000164873155 534714774 /nfs/dbraw/zinc/71/47/74/534714774.db2.gz NTMHEEMVAWMCGW-GUTXKFCHSA-N -1 3 345.399 2.247 20 5 EEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)COCC3)c1[N+](=O)[O-] ZINC000171808601 528549435 /nfs/dbraw/zinc/54/94/35/528549435.db2.gz VLXJFMQDTFYMJR-UHFFFAOYSA-N -1 3 337.361 2.052 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]CC2CCSCC2)c([N+](=O)[O-])c1 ZINC000264989290 536874471 /nfs/dbraw/zinc/87/44/71/536874471.db2.gz WURAHQFXXFMBAU-UHFFFAOYSA-N -1 3 346.430 2.025 20 5 EEBDHM O=C([N-]c1nc(C2CC2)no1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000734879544 577333448 /nfs/dbraw/zinc/33/34/48/577333448.db2.gz MBNQEXCNNFOHJQ-UHFFFAOYSA-N -1 3 340.299 2.293 20 5 EEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOc2ccccc2F)cs1 ZINC000768797479 577562720 /nfs/dbraw/zinc/56/27/20/577562720.db2.gz XPNJPFCNFGATHS-UHFFFAOYSA-N -1 3 346.361 2.153 20 5 EEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000768843486 577563859 /nfs/dbraw/zinc/56/38/59/577563859.db2.gz VGHBGNDLNQRBEY-YUSALJHKSA-N -1 3 346.430 2.138 20 5 EEBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(C)C ZINC000736615924 578213929 /nfs/dbraw/zinc/21/39/29/578213929.db2.gz ZLGHTQIIPVZIMD-ZIAGYGMSSA-N -1 3 346.391 2.415 20 5 EEBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC000736615924 578213930 /nfs/dbraw/zinc/21/39/30/578213930.db2.gz ZLGHTQIIPVZIMD-ZIAGYGMSSA-N -1 3 346.391 2.415 20 5 EEBDHM CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000736609197 578214759 /nfs/dbraw/zinc/21/47/59/578214759.db2.gz DQXSHAYNUJXVOY-UONOGXRCSA-N -1 3 346.391 2.415 20 5 EEBDHM CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000736609197 578214760 /nfs/dbraw/zinc/21/47/60/578214760.db2.gz DQXSHAYNUJXVOY-UONOGXRCSA-N -1 3 346.391 2.415 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823639997 599049310 /nfs/dbraw/zinc/04/93/10/599049310.db2.gz ONOXCINLCSCONA-UHFFFAOYSA-N -1 3 332.345 2.327 20 5 EEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000820778939 599254617 /nfs/dbraw/zinc/25/46/17/599254617.db2.gz ZFBRDJJVDWGGFQ-JTQLQIEISA-N -1 3 337.343 2.294 20 5 EEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000820778939 599254621 /nfs/dbraw/zinc/25/46/21/599254621.db2.gz ZFBRDJJVDWGGFQ-JTQLQIEISA-N -1 3 337.343 2.294 20 5 EEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(C)C ZINC000821641201 599587978 /nfs/dbraw/zinc/58/79/78/599587978.db2.gz YBEWPQOBAVGEJP-SNVBAGLBSA-N -1 3 348.363 2.022 20 5 EEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(C)C ZINC000821641201 599587981 /nfs/dbraw/zinc/58/79/81/599587981.db2.gz YBEWPQOBAVGEJP-SNVBAGLBSA-N -1 3 348.363 2.022 20 5 EEBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000821684146 606174448 /nfs/dbraw/zinc/17/44/48/606174448.db2.gz STXCULIGOSYLAL-ZDUSSCGKSA-N -1 3 344.331 2.476 20 5 EEBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000821684146 606174449 /nfs/dbraw/zinc/17/44/49/606174449.db2.gz STXCULIGOSYLAL-ZDUSSCGKSA-N -1 3 344.331 2.476 20 5 EEBDHM Cc1ccsc1[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822379295 606426091 /nfs/dbraw/zinc/42/60/91/606426091.db2.gz MYMWBOUFLRNNKH-GFCCVEGCSA-N -1 3 346.372 2.290 20 5 EEBDHM Cc1ccsc1[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822379295 606426093 /nfs/dbraw/zinc/42/60/93/606426093.db2.gz MYMWBOUFLRNNKH-GFCCVEGCSA-N -1 3 346.372 2.290 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccn3ccnc3c2)c(-c2nnn[n-]2)c1 ZINC000823639533 606794178 /nfs/dbraw/zinc/79/41/78/606794178.db2.gz CLAGTBITATYQDP-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccn3ccnc3c2)c(-c2nn[n-]n2)c1 ZINC000823639533 606794180 /nfs/dbraw/zinc/79/41/80/606794180.db2.gz CLAGTBITATYQDP-UHFFFAOYSA-N -1 3 336.315 2.035 20 5 EEBDHM Cc1ccccc1C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107009548 1192635809 /nfs/dbraw/zinc/63/58/09/1192635809.db2.gz GYFYHXKZZHFKEU-SNAWJCMRSA-N -1 3 342.355 2.402 20 5 EEBDHM CC/C=C(\C)C(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095340132 1202519320 /nfs/dbraw/zinc/51/93/20/1202519320.db2.gz YDEIXRLGMVRQCX-UUILKARUSA-N -1 3 348.403 2.384 20 5 EEBDHM CC(C)(C)CC(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095393370 1204552435 /nfs/dbraw/zinc/55/24/35/1204552435.db2.gz LCVMQEZUWGYUCJ-UHFFFAOYSA-N -1 3 336.392 2.217 20 5 EEBDHM CC/C(C)=C/C(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095414097 1205451106 /nfs/dbraw/zinc/45/11/06/1205451106.db2.gz VMVQKILIGSUGEO-ZHACJKMWSA-N -1 3 334.376 2.137 20 5 EEBDHM CN(CCCNC(=O)c1cccc(F)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095465506 1205783937 /nfs/dbraw/zinc/78/39/37/1205783937.db2.gz IUKKDOPLYWCWFB-UHFFFAOYSA-N -1 3 348.334 2.091 20 5 EEBDHM CN(CCCNC(=O)C1CC2(CCC2)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095700471 1205918373 /nfs/dbraw/zinc/91/83/73/1205918373.db2.gz OHEDEDHFLURRFG-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM O=C(NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccsc1 ZINC001046223334 1234570496 /nfs/dbraw/zinc/57/04/96/1234570496.db2.gz AVOJATRCDYGLON-JGZJWPJOSA-N -1 3 348.384 2.377 20 5 EEBDHM CCCN(CCNC(=O)c1ccccc1[O-])c1ncccc1[N+](=O)[O-] ZINC001101096414 1245400081 /nfs/dbraw/zinc/40/00/81/1245400081.db2.gz KMUFTQVBUFSUFZ-UHFFFAOYSA-N -1 3 344.371 2.342 20 5 EEBDHM C=C/C(C)=C\CC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101423008 1245802257 /nfs/dbraw/zinc/80/22/57/1245802257.db2.gz KWKUJWCZTNMQSM-QCDXTXTGSA-N -1 3 346.387 2.303 20 5 EEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCC(O)CC3)nc2)c1 ZINC001199802098 1285837025 /nfs/dbraw/zinc/83/70/25/1285837025.db2.gz LJNDLMVVUAGHKV-UHFFFAOYSA-N -1 3 330.344 2.400 20 5 EEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853250935 1292340840 /nfs/dbraw/zinc/34/08/40/1292340840.db2.gz GZRUNOVIFPSYTH-JTQLQIEISA-N -1 3 338.364 2.046 20 5 EEBDHM CC(C)N(CCCNC(=O)c1cc[nH]c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102147265 1300420637 /nfs/dbraw/zinc/42/06/37/1300420637.db2.gz KRFKUTNABDRBIU-UHFFFAOYSA-N -1 3 347.375 2.058 20 5 EEBDHM Cc1[n-]c(=O)cc(OC2CN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228686487 1302381344 /nfs/dbraw/zinc/38/13/44/1302381344.db2.gz NCSXORFWZIFUPL-UHFFFAOYSA-N -1 3 325.321 2.002 20 5 EEBDHM COc1cc(C[NH2+]CCc2ccccc2C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001116762267 1305915858 /nfs/dbraw/zinc/91/58/58/1305915858.db2.gz IRDFPMVQOMGXKO-UHFFFAOYSA-N -1 3 346.339 2.340 20 5 EEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837574093 1315094817 /nfs/dbraw/zinc/09/48/17/1315094817.db2.gz VLKWSZADIOPEHA-UHFFFAOYSA-N -1 3 348.290 2.046 20 5 EEBDHM NC(=O)c1ccnc([N-][C@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001164180418 1321311233 /nfs/dbraw/zinc/31/12/33/1321311233.db2.gz NBODBKHFDZNOIB-SNVBAGLBSA-N -1 3 341.249 2.199 20 5 EEBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc([N+](=O)[O-])nc1)OCC ZINC001203566637 1321913644 /nfs/dbraw/zinc/91/36/44/1321913644.db2.gz LLNMMIZJVSVPSC-UHFFFAOYSA-N -1 3 349.347 2.171 20 5 EEBDHM CCC(CC)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)OC ZINC001609188896 1351883060 /nfs/dbraw/zinc/88/30/60/1351883060.db2.gz KSQWPQUWBGIZPJ-UHFFFAOYSA-N -1 3 348.363 2.166 20 5 EEBDHM CCC(CC)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)OC ZINC001609188896 1351883062 /nfs/dbraw/zinc/88/30/62/1351883062.db2.gz KSQWPQUWBGIZPJ-UHFFFAOYSA-N -1 3 348.363 2.166 20 5 EEBDHM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(C)C ZINC001609238822 1351905075 /nfs/dbraw/zinc/90/50/75/1351905075.db2.gz SOXWQIHSPJCNCX-UONOGXRCSA-N -1 3 346.391 2.415 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001609428092 1351973213 /nfs/dbraw/zinc/97/32/13/1351973213.db2.gz FPJSIIIGLQMTFP-SECBINFHSA-N -1 3 342.315 2.329 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001609428092 1351973216 /nfs/dbraw/zinc/97/32/16/1351973216.db2.gz FPJSIIIGLQMTFP-SECBINFHSA-N -1 3 342.315 2.329 20 5 EEBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001348031295 1337533130 /nfs/dbraw/zinc/53/31/30/1337533130.db2.gz AENUYEVBKJAHOD-UHFFFAOYSA-N -1 3 344.327 2.367 20 5 EEBDHM C[C@@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccn1 ZINC001575380207 1343783606 /nfs/dbraw/zinc/78/36/06/1343783606.db2.gz SKNMRJSXLPWADU-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM C[C@@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccn1 ZINC001575380207 1343783609 /nfs/dbraw/zinc/78/36/09/1343783609.db2.gz SKNMRJSXLPWADU-SNVBAGLBSA-N -1 3 325.332 2.021 20 5 EEBDHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC001580044053 1344456786 /nfs/dbraw/zinc/45/67/86/1344456786.db2.gz SSEHDJYHPIZPAC-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC001580044053 1344456789 /nfs/dbraw/zinc/45/67/89/1344456789.db2.gz SSEHDJYHPIZPAC-UHFFFAOYSA-N -1 3 340.299 2.036 20 5 EEBDHM CC(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589607772 1349009676 /nfs/dbraw/zinc/00/96/76/1349009676.db2.gz SCEGQJCCLBJGLL-CYBMUJFWSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589607772 1349009679 /nfs/dbraw/zinc/00/96/79/1349009679.db2.gz SCEGQJCCLBJGLL-CYBMUJFWSA-N -1 3 346.391 2.416 20 5 EEBDHM CC(C)n1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001589782258 1349040187 /nfs/dbraw/zinc/04/01/87/1349040187.db2.gz MFGIVDSKWHZVNS-UHFFFAOYSA-N -1 3 328.336 2.164 20 5 EEBDHM CC(C)n1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001589782258 1349040193 /nfs/dbraw/zinc/04/01/93/1349040193.db2.gz MFGIVDSKWHZVNS-UHFFFAOYSA-N -1 3 328.336 2.164 20 5 EEBDHM C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590024750 1349113448 /nfs/dbraw/zinc/11/34/48/1349113448.db2.gz IQRRVKNJIMTSON-JTQLQIEISA-N -1 3 341.327 2.407 20 5 EEBDHM C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590024750 1349113453 /nfs/dbraw/zinc/11/34/53/1349113453.db2.gz IQRRVKNJIMTSON-JTQLQIEISA-N -1 3 341.327 2.407 20 5 EEBDHM CCc1nc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])co1 ZINC001590913984 1349409921 /nfs/dbraw/zinc/40/99/21/1349409921.db2.gz ULAPMZVMNHURIY-UHFFFAOYSA-N -1 3 333.283 2.077 20 5 EEBDHM CCc1nc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])co1 ZINC001590913984 1349409934 /nfs/dbraw/zinc/40/99/34/1349409934.db2.gz ULAPMZVMNHURIY-UHFFFAOYSA-N -1 3 333.283 2.077 20 5 EEBDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccsc1[N+](=O)[O-] ZINC001591053152 1349435893 /nfs/dbraw/zinc/43/58/93/1349435893.db2.gz MLWVXJCDIOLJBI-LBPRGKRZSA-N -1 3 346.372 2.006 20 5 EEBDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccsc1[N+](=O)[O-] ZINC001591053152 1349435895 /nfs/dbraw/zinc/43/58/95/1349435895.db2.gz MLWVXJCDIOLJBI-LBPRGKRZSA-N -1 3 346.372 2.006 20 5 EEBDHM Cc1cc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001591970132 1349572162 /nfs/dbraw/zinc/57/21/62/1349572162.db2.gz HYHCRWJSPFNKKH-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1cc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001591970132 1349572166 /nfs/dbraw/zinc/57/21/66/1349572166.db2.gz HYHCRWJSPFNKKH-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001592091753 1349590177 /nfs/dbraw/zinc/59/01/77/1349590177.db2.gz AMLGZCMTJQDIOH-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001592091753 1349590179 /nfs/dbraw/zinc/59/01/79/1349590179.db2.gz AMLGZCMTJQDIOH-UHFFFAOYSA-N -1 3 325.332 2.399 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592197298 1349603585 /nfs/dbraw/zinc/60/35/85/1349603585.db2.gz HTOYHZRKXPUDEH-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001592199162 1349605211 /nfs/dbraw/zinc/60/52/11/1349605211.db2.gz HOYTULQYGIPEGZ-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001592199162 1349605215 /nfs/dbraw/zinc/60/52/15/1349605215.db2.gz HOYTULQYGIPEGZ-OAHLLOKOSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ncc([C@@H](C)NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592408552 1349627890 /nfs/dbraw/zinc/62/78/90/1349627890.db2.gz HOPCJJBJWQNMFX-MRVPVSSYSA-N -1 3 345.388 2.391 20 5 EEBDHM Cc1ncc([C@@H](C)NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592408552 1349627891 /nfs/dbraw/zinc/62/78/91/1349627891.db2.gz HOPCJJBJWQNMFX-MRVPVSSYSA-N -1 3 345.388 2.391 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCCC3(CC3)CC2)c1-c1nnn[n-]1 ZINC001592755858 1349712660 /nfs/dbraw/zinc/71/26/60/1349712660.db2.gz BARAGHFOHSXPIB-UHFFFAOYSA-N -1 3 329.364 2.128 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCCC3(CC3)CC2)c1-c1nn[n-]n1 ZINC001592755858 1349712662 /nfs/dbraw/zinc/71/26/62/1349712662.db2.gz BARAGHFOHSXPIB-UHFFFAOYSA-N -1 3 329.364 2.128 20 5 EEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])s1 ZINC001593301225 1349773271 /nfs/dbraw/zinc/77/32/71/1349773271.db2.gz ONRXPQSCXQDZHF-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])s1 ZINC001593301225 1349773275 /nfs/dbraw/zinc/77/32/75/1349773275.db2.gz ONRXPQSCXQDZHF-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1ccccc1CO ZINC001593469275 1349804592 /nfs/dbraw/zinc/80/45/92/1349804592.db2.gz WVQOIDQASHALGD-UHFFFAOYSA-N -1 3 344.306 2.018 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1ccccc1CO ZINC001593469275 1349804597 /nfs/dbraw/zinc/80/45/97/1349804597.db2.gz WVQOIDQASHALGD-UHFFFAOYSA-N -1 3 344.306 2.018 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1COCc2ccccc21 ZINC001593473858 1349808114 /nfs/dbraw/zinc/80/81/14/1349808114.db2.gz CMVLTRSZABRXJN-CQSZACIVSA-N -1 3 338.327 2.458 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1COCc2ccccc21 ZINC001593473858 1349808120 /nfs/dbraw/zinc/80/81/20/1349808120.db2.gz CMVLTRSZABRXJN-CQSZACIVSA-N -1 3 338.327 2.458 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CSCCS2)ccc1-c1nnn[n-]1 ZINC001593473749 1349808409 /nfs/dbraw/zinc/80/84/09/1349808409.db2.gz KZIZLIAPACTSMU-SECBINFHSA-N -1 3 338.418 2.035 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCSC(F)(F)F ZINC001593482548 1349813654 /nfs/dbraw/zinc/81/36/54/1349813654.db2.gz DPIVFXCIDUFVJZ-UHFFFAOYSA-N -1 3 334.283 2.440 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCSC(F)(F)F ZINC001593482548 1349813658 /nfs/dbraw/zinc/81/36/58/1349813658.db2.gz DPIVFXCIDUFVJZ-UHFFFAOYSA-N -1 3 334.283 2.440 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2C[C@H]2C2CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485682 1349815553 /nfs/dbraw/zinc/81/55/53/1349815553.db2.gz WCXBGYPHSNFTRO-PWSUYJOCSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cnc(NC[C@H]2C[C@H]2C2CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485682 1349815558 /nfs/dbraw/zinc/81/55/58/1349815558.db2.gz WCXBGYPHSNFTRO-PWSUYJOCSA-N -1 3 329.364 2.408 20 5 EEBDHM CC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC001604107129 1350860093 /nfs/dbraw/zinc/86/00/93/1350860093.db2.gz CIXBNXRMIRWGRS-UONOGXRCSA-N -1 3 346.391 2.164 20 5 EEBDHM CC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC001604107129 1350860095 /nfs/dbraw/zinc/86/00/95/1350860095.db2.gz CIXBNXRMIRWGRS-UONOGXRCSA-N -1 3 346.391 2.164 20 5 EEBDHM CCc1nc(C)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001604555306 1350960373 /nfs/dbraw/zinc/96/03/73/1350960373.db2.gz XESYKNDPSSZNGL-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CCc1nc(C)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001604555306 1350960379 /nfs/dbraw/zinc/96/03/79/1350960379.db2.gz XESYKNDPSSZNGL-UHFFFAOYSA-N -1 3 329.320 2.246 20 5 EEBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC001604828699 1351016962 /nfs/dbraw/zinc/01/69/62/1351016962.db2.gz TWUKJEUNUWDLEY-LLVKDONJSA-N -1 3 334.380 2.008 20 5 EEBDHM Cc1cc(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724280 1351218457 /nfs/dbraw/zinc/21/84/57/1351218457.db2.gz ZAYPMLSLTMOIEJ-RBQUTUCGSA-N -1 3 332.364 2.307 20 5 EEBDHM Cc1cc(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724280 1351218461 /nfs/dbraw/zinc/21/84/61/1351218461.db2.gz ZAYPMLSLTMOIEJ-RBQUTUCGSA-N -1 3 332.364 2.307 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(Cc2ccccc2)C1 ZINC001607082428 1351409878 /nfs/dbraw/zinc/40/98/78/1351409878.db2.gz PIZRCYCADKAUET-UHFFFAOYSA-N -1 3 336.355 2.454 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(Cc2ccccc2)C1 ZINC001607082428 1351409880 /nfs/dbraw/zinc/40/98/80/1351409880.db2.gz PIZRCYCADKAUET-UHFFFAOYSA-N -1 3 336.355 2.454 20 5 EEBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591829861 1403953143 /nfs/dbraw/zinc/95/31/43/1403953143.db2.gz AAQFNNQDADYFEZ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591829861 1403953150 /nfs/dbraw/zinc/95/31/50/1403953150.db2.gz AAQFNNQDADYFEZ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(N2C[C@H]3CSC[C@@]3(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592011218 1403983264 /nfs/dbraw/zinc/98/32/64/1403983264.db2.gz DOHATEOFBYRTLY-ZUZCIYMTSA-N -1 3 346.416 2.273 20 5 EEBDHM Cc1cc(N2C[C@H]3CSC[C@@]3(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592011218 1403983275 /nfs/dbraw/zinc/98/32/75/1403983275.db2.gz DOHATEOFBYRTLY-ZUZCIYMTSA-N -1 3 346.416 2.273 20 5 EEBDHM C/C=C(/C)C(=O)N(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001125458815 758330688 /nfs/dbraw/zinc/33/06/88/758330688.db2.gz PNFBDQGNKWAADP-SDQBBNPISA-N -1 3 336.392 2.335 20 5 EEBDHM CC1(CC(=O)NC[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001091383173 790527903 /nfs/dbraw/zinc/52/79/03/790527903.db2.gz HRGZDCGCYBWNQU-PHIMTYICSA-N -1 3 334.376 2.192 20 5 EEBDHM CCc1oc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001093743518 795677027 /nfs/dbraw/zinc/67/70/27/795677027.db2.gz QZFSXJUASKUQNY-UHFFFAOYSA-N -1 3 334.332 2.001 20 5 EEBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC001094016903 795904596 /nfs/dbraw/zinc/90/45/96/795904596.db2.gz ZEGBIXATWGVBQD-UHFFFAOYSA-N -1 3 334.376 2.194 20 5 EEBDHM CC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC(F)(F)C1 ZINC001094494624 796287601 /nfs/dbraw/zinc/28/76/01/796287601.db2.gz VDNREBURJRAHMX-UHFFFAOYSA-N -1 3 344.318 2.049 20 5 EEBDHM C=C/C(C)=C\CC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095201938 797507844 /nfs/dbraw/zinc/50/78/44/797507844.db2.gz WODQECZAFUGDFE-ACAGNQJTSA-N -1 3 346.387 2.257 20 5 EEBDHM Cc1c(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000790096454 808408379 /nfs/dbraw/zinc/40/83/79/808408379.db2.gz BFBPTTOSPZZAFZ-XNTDXEJSSA-N -1 3 337.335 2.304 20 5 EEBDHM COc1c([O-])ccc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001604680859 973874394 /nfs/dbraw/zinc/87/43/94/973874394.db2.gz VWANMKWYYLUVEZ-LLVKDONJSA-N -1 3 326.349 2.146 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000069042762 215355484 /nfs/dbraw/zinc/35/54/84/215355484.db2.gz PSSBBUUGQGUVRK-NSHDSACASA-N -1 3 326.374 2.238 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000183380816 235036402 /nfs/dbraw/zinc/03/64/02/235036402.db2.gz RGFXXCVIUKFQKO-SNVBAGLBSA-N -1 3 348.808 2.404 20 5 EEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193723232 240282657 /nfs/dbraw/zinc/28/26/57/240282657.db2.gz HLLDQYOXOWBOLH-NSHDSACASA-N -1 3 347.824 2.011 20 5 EEBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000451678510 243202833 /nfs/dbraw/zinc/20/28/33/243202833.db2.gz WUUPQPKYROBBNY-GXFFZTMASA-N -1 3 330.406 2.243 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000451947642 243319251 /nfs/dbraw/zinc/31/92/51/243319251.db2.gz QNOSYCGEMJDNLU-CBAPKCEASA-N -1 3 342.402 2.146 20 5 EEBDHM CSc1nnc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000264172150 246137131 /nfs/dbraw/zinc/13/71/31/246137131.db2.gz KCCVNALJHQLHGK-UHFFFAOYSA-N -1 3 336.377 2.266 20 5 EEBDHM CSc1n[n-]c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000264172150 246137136 /nfs/dbraw/zinc/13/71/36/246137136.db2.gz KCCVNALJHQLHGK-UHFFFAOYSA-N -1 3 336.377 2.266 20 5 EEBDHM CSc1nc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000264172150 246137143 /nfs/dbraw/zinc/13/71/43/246137143.db2.gz KCCVNALJHQLHGK-UHFFFAOYSA-N -1 3 336.377 2.266 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)cc1C ZINC000271262263 256226605 /nfs/dbraw/zinc/22/66/05/256226605.db2.gz MPWCQTKCSSSPRU-NEPJUHHUSA-N -1 3 328.390 2.057 20 5 EEBDHM COc1ccc(OCCN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263126021 152382216 /nfs/dbraw/zinc/38/22/16/152382216.db2.gz CQTUVFGNLOIHNY-VXGBXAGGSA-N -1 3 338.360 2.025 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c(F)c1 ZINC000344088370 161197501 /nfs/dbraw/zinc/19/75/01/161197501.db2.gz QJJYBZSUQKEFRH-JTQLQIEISA-N -1 3 334.394 2.298 20 5 EEBDHM CCc1noc(C)c1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000345620211 161316740 /nfs/dbraw/zinc/31/67/40/161316740.db2.gz DFQAAPHHPQCMMA-UHFFFAOYSA-N -1 3 333.300 2.493 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000352530946 162174561 /nfs/dbraw/zinc/17/45/61/162174561.db2.gz PILVRMDMGFNAQA-MRVPVSSYSA-N -1 3 343.311 2.308 20 5 EEBDHM CCc1ncc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000359200857 164081172 /nfs/dbraw/zinc/08/11/72/164081172.db2.gz IEADWZILDMIPEW-UHFFFAOYSA-N -1 3 341.414 2.135 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c1C ZINC000360355527 164291483 /nfs/dbraw/zinc/29/14/83/164291483.db2.gz ZITAWQRCPORDAY-ZDUSSCGKSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1ccc([C@@H](O)C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000272421816 274170898 /nfs/dbraw/zinc/17/08/98/274170898.db2.gz XOPMGMPYGMZHIN-LBPRGKRZSA-N -1 3 340.282 2.438 20 5 EEBDHM COc1cc(NCCNC(=O)c2ccc([O-])cc2)c(F)cc1[N+](=O)[O-] ZINC000301885209 294907003 /nfs/dbraw/zinc/90/70/03/294907003.db2.gz ONOFAGVHOGFYIB-UHFFFAOYSA-N -1 3 349.318 2.290 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129252301 302048474 /nfs/dbraw/zinc/04/84/74/302048474.db2.gz CSNNIIUNQAPUFJ-BZPMIXESSA-N -1 3 340.401 2.139 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H](C)n2ccnc21 ZINC000451947919 302049308 /nfs/dbraw/zinc/04/93/08/302049308.db2.gz RQEYJRJADRPYNP-WDEREUQCSA-N -1 3 336.373 2.084 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000331098522 311816579 /nfs/dbraw/zinc/81/65/79/311816579.db2.gz BYXWFPSMRIWYOJ-SWLSCSKDSA-N -1 3 342.417 2.041 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000416608541 313272191 /nfs/dbraw/zinc/27/21/91/313272191.db2.gz RRGJIPANWNYHOY-NRPADANISA-N -1 3 334.419 2.057 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000431295157 314623935 /nfs/dbraw/zinc/62/39/35/314623935.db2.gz HXVZBHGTHGODAX-UHFFFAOYSA-N -1 3 348.380 2.412 20 5 EEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000531685325 317812478 /nfs/dbraw/zinc/81/24/78/317812478.db2.gz QHWVDZFOMGKGFB-UHFFFAOYSA-N -1 3 336.369 2.390 20 5 EEBDHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000565573765 319194316 /nfs/dbraw/zinc/19/43/16/319194316.db2.gz LOBLXMFZAUBHNO-UHFFFAOYSA-N -1 3 346.324 2.044 20 5 EEBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000023391700 463066575 /nfs/dbraw/zinc/06/65/75/463066575.db2.gz LVPYXKCUTCPSEE-UHFFFAOYSA-N -1 3 336.369 2.390 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000157826018 463173778 /nfs/dbraw/zinc/17/37/78/463173778.db2.gz RQMKQVOTVXNELG-NWDGAFQWSA-N -1 3 348.808 2.484 20 5 EEBDHM CCn1c2ccc(F)cc2nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193929701 463760976 /nfs/dbraw/zinc/76/09/76/463760976.db2.gz HJXDMTGVJXDCME-UHFFFAOYSA-N -1 3 345.290 2.456 20 5 EEBDHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000185278923 463793816 /nfs/dbraw/zinc/79/38/16/463793816.db2.gz POZKCMRUAHFVSK-HMDXOVGESA-N -1 3 348.808 2.162 20 5 EEBDHM Cc1cccc([O-])c1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000179547839 464155277 /nfs/dbraw/zinc/15/52/77/464155277.db2.gz UUEXZHKKUOKIFL-LLVKDONJSA-N -1 3 343.339 2.366 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSCC(C)C ZINC000270249119 464233226 /nfs/dbraw/zinc/23/32/26/464233226.db2.gz RKDFXKGXNOCZRY-UHFFFAOYSA-N -1 3 348.446 2.271 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)cc1C ZINC000272108381 464480409 /nfs/dbraw/zinc/48/04/09/464480409.db2.gz YKKQHPNPRRPUEX-TZMCWYRMSA-N -1 3 342.417 2.448 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000245720373 464509311 /nfs/dbraw/zinc/50/93/11/464509311.db2.gz UOWAMOYVJPHWSF-PTEHBNRSSA-N -1 3 342.417 2.446 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000190086274 464594985 /nfs/dbraw/zinc/59/49/85/464594985.db2.gz WTKFMNXHXLBAFJ-GFCCVEGCSA-N -1 3 342.417 2.448 20 5 EEBDHM COc1ccc(OCCN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000579836406 468421266 /nfs/dbraw/zinc/42/12/66/468421266.db2.gz KFKCNOYZMITMTH-RYUDHWBXSA-N -1 3 338.360 2.167 20 5 EEBDHM Cc1c([C@@H](C)[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1C ZINC000359468895 465410434 /nfs/dbraw/zinc/41/04/34/465410434.db2.gz XARUBVWQHLPNSL-SECBINFHSA-N -1 3 328.332 2.860 20 5 EEBDHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000342988533 465434080 /nfs/dbraw/zinc/43/40/80/465434080.db2.gz JXXPYTVGUHUXNB-AQUOVQTQSA-N -1 3 346.380 2.072 20 5 EEBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000353368398 465834761 /nfs/dbraw/zinc/83/47/61/465834761.db2.gz IRDCTDGHRCOUMA-UHFFFAOYSA-N -1 3 338.341 2.460 20 5 EEBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ccc([N+](=O)[O-])c(C)n1 ZINC000591593896 468488398 /nfs/dbraw/zinc/48/83/98/468488398.db2.gz WGCYIUUSJONZQC-UHFFFAOYSA-N -1 3 332.360 2.226 20 5 EEBDHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000347297522 466544801 /nfs/dbraw/zinc/54/48/01/466544801.db2.gz KYHYNSXEAGKCJM-UHFFFAOYSA-N -1 3 348.808 2.343 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCCC[C@@H]2O)c(Cl)c1 ZINC000317622599 466581563 /nfs/dbraw/zinc/58/15/63/466581563.db2.gz WRMHZFZTBQOJKH-RYUDHWBXSA-N -1 3 348.808 2.220 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC(C)(C)C1 ZINC000318544069 466589049 /nfs/dbraw/zinc/58/90/49/466589049.db2.gz YVMNRTBPQPDDRJ-JTQLQIEISA-N -1 3 328.390 2.460 20 5 EEBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000365608084 466879792 /nfs/dbraw/zinc/87/97/92/466879792.db2.gz XLSHZBRWXHWDIC-HONMWMINSA-N -1 3 340.401 2.077 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000452030359 467308446 /nfs/dbraw/zinc/30/84/46/467308446.db2.gz MQRKTUFOOVOMNQ-UHFFFAOYSA-N -1 3 337.357 2.247 20 5 EEBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])nc1)Cc1ccc([O-])c(F)c1 ZINC000420639618 467439732 /nfs/dbraw/zinc/43/97/32/467439732.db2.gz SCVHROTWPVPIBL-NSHDSACASA-N -1 3 349.318 2.278 20 5 EEBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCO1 ZINC000420716685 467461054 /nfs/dbraw/zinc/46/10/54/467461054.db2.gz CFDABYGACMFAKG-RYUDHWBXSA-N -1 3 328.390 2.139 20 5 EEBDHM C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1C1CC1 ZINC000518773873 468126218 /nfs/dbraw/zinc/12/62/18/468126218.db2.gz NUGBSZXYGJWUGX-SCZZXKLOSA-N -1 3 339.779 2.309 20 5 EEBDHM CN1CC[C@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000518775482 468126318 /nfs/dbraw/zinc/12/63/18/468126318.db2.gz PVNTVNXDZQCEMH-HNNXBMFYSA-N -1 3 339.779 2.122 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCN(C(C)(C)C)CC2)n1 ZINC000567981394 468249562 /nfs/dbraw/zinc/24/95/62/468249562.db2.gz IITQWICYSYDBQT-UHFFFAOYSA-N -1 3 336.392 2.307 20 5 EEBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592109764 468627507 /nfs/dbraw/zinc/62/75/07/468627507.db2.gz DCHYHXSLTJVKHG-XCBNKYQSSA-N -1 3 336.822 2.421 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCS[C@H]2C)c1C ZINC000592116541 468629567 /nfs/dbraw/zinc/62/95/67/468629567.db2.gz VSKQXOIYMAUAIG-WDEREUQCSA-N -1 3 330.431 2.384 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601387196 468853289 /nfs/dbraw/zinc/85/32/89/468853289.db2.gz PUABAZUGIGKGPC-VHSXEESVSA-N -1 3 334.419 2.201 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(F)cc1[N+](=O)[O-] ZINC000601406784 468861094 /nfs/dbraw/zinc/86/10/94/468861094.db2.gz RWLKZMKOXNQTHH-VIFPVBQESA-N -1 3 334.394 2.074 20 5 EEBDHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCC1 ZINC000601441292 468874480 /nfs/dbraw/zinc/87/44/80/468874480.db2.gz BBXPMOJCLQXCLM-JTQLQIEISA-N -1 3 346.380 2.278 20 5 EEBDHM O=C([N-]c1ncc(CCO)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588873577 469174029 /nfs/dbraw/zinc/17/40/29/469174029.db2.gz GMZQDGNQPMFBRI-UHFFFAOYSA-N -1 3 327.749 2.492 20 5 EEBDHM O=c1[n-]ccc(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000596210606 469205104 /nfs/dbraw/zinc/20/51/04/469205104.db2.gz OWMBZOQTZWVTGS-WBMJQRKESA-N -1 3 333.319 2.413 20 5 EEBDHM O=c1[n-]ccc(NCCCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000596236457 469215800 /nfs/dbraw/zinc/21/58/00/469215800.db2.gz WGGWSIKAZSPKQW-UHFFFAOYSA-N -1 3 342.153 2.157 20 5 EEBDHM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596278308 469230147 /nfs/dbraw/zinc/23/01/47/469230147.db2.gz OPUGRSFDZPRQFG-WDEREUQCSA-N -1 3 337.376 2.500 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000738373335 578011427 /nfs/dbraw/zinc/01/14/27/578011427.db2.gz AJMNDJNVQQJVOO-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM O=[N+]([O-])c1cnc(NCc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000738373335 578011428 /nfs/dbraw/zinc/01/14/28/578011428.db2.gz AJMNDJNVQQJVOO-UHFFFAOYSA-N -1 3 331.723 2.435 20 5 EEBDHM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000734848302 577330039 /nfs/dbraw/zinc/33/00/39/577330039.db2.gz MKTWSBLWISOJAV-ZDUSSCGKSA-N -1 3 348.384 2.049 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]2CCO[C@H]21 ZINC000736208090 578187309 /nfs/dbraw/zinc/18/73/09/578187309.db2.gz VYEPODYRUKRYLB-ZWKOPEQDSA-N -1 3 330.348 2.000 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]2CCO[C@H]21 ZINC000736208090 578187310 /nfs/dbraw/zinc/18/73/10/578187310.db2.gz VYEPODYRUKRYLB-ZWKOPEQDSA-N -1 3 330.348 2.000 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823112294 606265508 /nfs/dbraw/zinc/26/55/08/606265508.db2.gz WDYVSPHIQUPADI-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823112294 606265510 /nfs/dbraw/zinc/26/55/10/606265510.db2.gz WDYVSPHIQUPADI-UHFFFAOYSA-N -1 3 342.290 2.095 20 5 EEBDHM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC ZINC000821048977 606429854 /nfs/dbraw/zinc/42/98/54/606429854.db2.gz HYTYXIPAVZQOOI-CYBMUJFWSA-N -1 3 348.363 2.309 20 5 EEBDHM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC ZINC000821048977 606429856 /nfs/dbraw/zinc/42/98/56/606429856.db2.gz HYTYXIPAVZQOOI-CYBMUJFWSA-N -1 3 348.363 2.309 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000823652246 607131770 /nfs/dbraw/zinc/13/17/70/607131770.db2.gz XKEGQKRJOPOWPT-SSDOTTSWSA-N -1 3 325.279 2.160 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000823652246 607131771 /nfs/dbraw/zinc/13/17/71/607131771.db2.gz XKEGQKRJOPOWPT-SSDOTTSWSA-N -1 3 325.279 2.160 20 5 EEBDHM CC(C)CSCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824275541 607905239 /nfs/dbraw/zinc/90/52/39/607905239.db2.gz WCGVYUQYYJNBGO-UHFFFAOYSA-N -1 3 337.409 2.361 20 5 EEBDHM CC(C)CSCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824275541 607905240 /nfs/dbraw/zinc/90/52/40/607905240.db2.gz WCGVYUQYYJNBGO-UHFFFAOYSA-N -1 3 337.409 2.361 20 5 EEBDHM O=[N+]([O-])c1ccc(CN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC000826498476 608153901 /nfs/dbraw/zinc/15/39/01/608153901.db2.gz WOWNRJCBPSPQDB-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1ccc(CN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC000826498476 608153902 /nfs/dbraw/zinc/15/39/02/608153902.db2.gz WOWNRJCBPSPQDB-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1C1CC1 ZINC000826450485 608164245 /nfs/dbraw/zinc/16/42/45/608164245.db2.gz OJBJNSCNBAMWNZ-DTWKUNHWSA-N -1 3 348.750 2.413 20 5 EEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1C1CC1 ZINC000826450485 608164247 /nfs/dbraw/zinc/16/42/47/608164247.db2.gz OJBJNSCNBAMWNZ-DTWKUNHWSA-N -1 3 348.750 2.413 20 5 EEBDHM C[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824626154 608563541 /nfs/dbraw/zinc/56/35/41/608563541.db2.gz MSNKSHZZSLDKRW-JTQLQIEISA-N -1 3 325.332 2.021 20 5 EEBDHM CCc1nn(C)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000825759637 608771526 /nfs/dbraw/zinc/77/15/26/608771526.db2.gz LQMOSLSLGQDSEY-VIFPVBQESA-N -1 3 342.363 2.244 20 5 EEBDHM CCc1nn(C)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000825759637 608771527 /nfs/dbraw/zinc/77/15/27/608771527.db2.gz LQMOSLSLGQDSEY-VIFPVBQESA-N -1 3 342.363 2.244 20 5 EEBDHM Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826270089 609244359 /nfs/dbraw/zinc/24/43/59/609244359.db2.gz KULFMDDLWJDKGW-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826270089 609244360 /nfs/dbraw/zinc/24/43/60/609244360.db2.gz KULFMDDLWJDKGW-UHFFFAOYSA-N -1 3 338.327 2.265 20 5 EEBDHM O=C(CCc1ccco1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107039350 1192996002 /nfs/dbraw/zinc/99/60/02/1192996002.db2.gz MVIRHOBGUGWGDN-UPHRSURJSA-N -1 3 346.343 2.006 20 5 EEBDHM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000866814682 1201611504 /nfs/dbraw/zinc/61/15/04/1201611504.db2.gz UIHIBWZPTQUWQZ-VIFPVBQESA-N -1 3 336.410 2.462 20 5 EEBDHM COc1nc(C)ccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844497 1204434416 /nfs/dbraw/zinc/43/44/16/1204434416.db2.gz XGBLLLDRSUJCMQ-UHFFFAOYSA-N -1 3 329.272 2.124 20 5 EEBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000156121663 1208346673 /nfs/dbraw/zinc/34/66/73/1208346673.db2.gz CEIOUQNDQONFDB-UHFFFAOYSA-N -1 3 344.345 2.451 20 5 EEBDHM CCCN(CCNC(=O)c1ccoc1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101083613 1245376315 /nfs/dbraw/zinc/37/63/15/1245376315.db2.gz MGPLUPLYKDMNCZ-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM CC/C=C(/C)C(=O)NCCN(CCC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101095033 1245397439 /nfs/dbraw/zinc/39/74/39/1245397439.db2.gz XUHGCDIVMGYHAB-SDQBBNPISA-N -1 3 336.392 2.384 20 5 EEBDHM COC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228687463 1302381413 /nfs/dbraw/zinc/38/14/13/1302381413.db2.gz XJBFASXCEBOVRQ-AWEZNQCLSA-N -1 3 336.275 2.436 20 5 EEBDHM CCC(=O)NCc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001103656595 1303190662 /nfs/dbraw/zinc/19/06/62/1303190662.db2.gz RNASVUZJWCTDCT-UHFFFAOYSA-N -1 3 330.344 2.334 20 5 EEBDHM C[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1[N+](=O)[O-] ZINC000783503371 1304289477 /nfs/dbraw/zinc/28/94/77/1304289477.db2.gz XBSGHNACILAHQR-VIFPVBQESA-N -1 3 340.291 2.396 20 5 EEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c2nccn21 ZINC001590207347 1349200727 /nfs/dbraw/zinc/20/07/27/1349200727.db2.gz RGIUZYBQHOBYPP-LDYMZIIASA-N -1 3 326.320 2.089 20 5 EEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c2nccn21 ZINC001590207347 1349200734 /nfs/dbraw/zinc/20/07/34/1349200734.db2.gz RGIUZYBQHOBYPP-LDYMZIIASA-N -1 3 326.320 2.089 20 5 EEBDHM COC1CCC(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605028763 1351060473 /nfs/dbraw/zinc/06/04/73/1351060473.db2.gz HFOSUZSYENIBGX-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM COC1CCC(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605028763 1351060477 /nfs/dbraw/zinc/06/04/77/1351060477.db2.gz HFOSUZSYENIBGX-UHFFFAOYSA-N -1 3 332.364 2.392 20 5 EEBDHM O=C([O-])c1ccc2c(c1)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001608921467 1351794916 /nfs/dbraw/zinc/79/49/16/1351794916.db2.gz SJHQKOKZUVKQTG-QGZVFWFLSA-N -1 3 342.351 2.385 20 5 EEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609110096 1351847435 /nfs/dbraw/zinc/84/74/35/1351847435.db2.gz JTBYDVZASWLZCJ-ZANVPECISA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609110096 1351847440 /nfs/dbraw/zinc/84/74/40/1351847440.db2.gz JTBYDVZASWLZCJ-ZANVPECISA-N -1 3 344.331 2.292 20 5 EEBDHM CCc1cnccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609253958 1351910741 /nfs/dbraw/zinc/91/07/41/1351910741.db2.gz BTCWLGOEKQTUAB-UHFFFAOYSA-N -1 3 325.332 2.344 20 5 EEBDHM CN(CCC(F)(F)F)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609274492 1351917780 /nfs/dbraw/zinc/91/77/80/1351917780.db2.gz QNEJQVKMADEXEZ-UHFFFAOYSA-N -1 3 330.270 2.159 20 5 EEBDHM CN(CCC(F)(F)F)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609274492 1351917784 /nfs/dbraw/zinc/91/77/84/1351917784.db2.gz QNEJQVKMADEXEZ-UHFFFAOYSA-N -1 3 330.270 2.159 20 5 EEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001609577348 1352023339 /nfs/dbraw/zinc/02/33/39/1352023339.db2.gz INCLBBLULJLDRT-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001609577348 1352023340 /nfs/dbraw/zinc/02/33/40/1352023340.db2.gz INCLBBLULJLDRT-UHFFFAOYSA-N -1 3 325.284 2.132 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609603492 1352032900 /nfs/dbraw/zinc/03/29/00/1352032900.db2.gz HWSBHJFMRUWARY-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM O=[N+]([O-])c1ccccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609603492 1352032902 /nfs/dbraw/zinc/03/29/02/1352032902.db2.gz HWSBHJFMRUWARY-UHFFFAOYSA-N -1 3 341.287 2.295 20 5 EEBDHM CN(CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1[N+](=O)[O-] ZINC001339004572 1336943719 /nfs/dbraw/zinc/94/37/19/1336943719.db2.gz ONNRVPMKAGXNHB-UHFFFAOYSA-N -1 3 342.315 2.048 20 5 EEBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc(-c2nnn[n-]2)c1 ZINC001580984947 1344579729 /nfs/dbraw/zinc/57/97/29/1344579729.db2.gz FZJJTZSZAHOHFJ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc(-c2nn[n-]n2)c1 ZINC001580984947 1344579732 /nfs/dbraw/zinc/57/97/32/1344579732.db2.gz FZJJTZSZAHOHFJ-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945883 1349072435 /nfs/dbraw/zinc/07/24/35/1349072435.db2.gz IMYMPGXXRIQQJZ-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945883 1349072442 /nfs/dbraw/zinc/07/24/42/1349072442.db2.gz IMYMPGXXRIQQJZ-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccns1 ZINC001589967272 1349084283 /nfs/dbraw/zinc/08/42/83/1349084283.db2.gz IXRKYRGEPGQQRS-QMMMGPOBSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccns1 ZINC001589967272 1349084288 /nfs/dbraw/zinc/08/42/88/1349084288.db2.gz IXRKYRGEPGQQRS-QMMMGPOBSA-N -1 3 331.361 2.082 20 5 EEBDHM C[C@H]1Cc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2O1 ZINC001590330493 1349268424 /nfs/dbraw/zinc/26/84/24/1349268424.db2.gz XKKCVTOASLFNQG-QMMMGPOBSA-N -1 3 339.315 2.237 20 5 EEBDHM C[C@H]1Cc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2O1 ZINC001590330493 1349268430 /nfs/dbraw/zinc/26/84/30/1349268430.db2.gz XKKCVTOASLFNQG-QMMMGPOBSA-N -1 3 339.315 2.237 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)cc(C)n2)c1 ZINC001592199344 1349605006 /nfs/dbraw/zinc/60/50/06/1349605006.db2.gz URZPXNBLRAXTSP-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)cc(C)n2)c1 ZINC001592199344 1349605012 /nfs/dbraw/zinc/60/50/12/1349605012.db2.gz URZPXNBLRAXTSP-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(F)(C3CC3)CC2)c1-c1nnn[n-]1 ZINC001592757929 1349713507 /nfs/dbraw/zinc/71/35/07/1349713507.db2.gz VNCQNRYIEKWUBN-UHFFFAOYSA-N -1 3 347.354 2.076 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(F)(C3CC3)CC2)c1-c1nn[n-]n1 ZINC001592757929 1349713509 /nfs/dbraw/zinc/71/35/09/1349713509.db2.gz VNCQNRYIEKWUBN-UHFFFAOYSA-N -1 3 347.354 2.076 20 5 EEBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(-c2nnn[n-]2)ccn1 ZINC001593248413 1349749754 /nfs/dbraw/zinc/74/97/54/1349749754.db2.gz SCQXCNPIXPBSGQ-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(-c2nn[n-]n2)ccn1 ZINC001593248413 1349749757 /nfs/dbraw/zinc/74/97/57/1349749757.db2.gz SCQXCNPIXPBSGQ-UHFFFAOYSA-N -1 3 345.706 2.076 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC2(CC2(F)F)CC1 ZINC001593468690 1349804375 /nfs/dbraw/zinc/80/43/75/1349804375.db2.gz RETNZBFUNQJVPA-UHFFFAOYSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC2(CC2(F)F)CC1 ZINC001593468690 1349804379 /nfs/dbraw/zinc/80/43/79/1349804379.db2.gz RETNZBFUNQJVPA-UHFFFAOYSA-N -1 3 336.302 2.401 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CCC2(CCC2)O1 ZINC001593469300 1349804826 /nfs/dbraw/zinc/80/48/26/1349804826.db2.gz XRINCEZWVCFLCI-SECBINFHSA-N -1 3 348.338 2.428 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CCC2(CCC2)O1 ZINC001593469300 1349804835 /nfs/dbraw/zinc/80/48/35/1349804835.db2.gz XRINCEZWVCFLCI-SECBINFHSA-N -1 3 348.338 2.428 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1ccc2c(c1)OCCO2 ZINC001593474705 1349808391 /nfs/dbraw/zinc/80/83/91/1349808391.db2.gz GQKIKCHOUQDENE-UHFFFAOYSA-N -1 3 340.299 2.290 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1ccc2c(c1)OCCO2 ZINC001593474705 1349808396 /nfs/dbraw/zinc/80/83/96/1349808396.db2.gz GQKIKCHOUQDENE-UHFFFAOYSA-N -1 3 340.299 2.290 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc(-c3nnn[n-]3)c1F)C2 ZINC001593479690 1349811681 /nfs/dbraw/zinc/81/16/81/1349811681.db2.gz QTGBIIRWOAYXTP-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc(-c3nn[n-]n3)c1F)C2 ZINC001593479690 1349811684 /nfs/dbraw/zinc/81/16/84/1349811684.db2.gz QTGBIIRWOAYXTP-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM CC(C)COCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] 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Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001592128681 1404000384 /nfs/dbraw/zinc/00/03/84/1404000384.db2.gz ROWUJXNREWGCGK-UHFFFAOYSA-N -1 3 338.327 2.013 20 5 EEBDHM CC(C)=C(F)C(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112057260 765435481 /nfs/dbraw/zinc/43/54/81/765435481.db2.gz LOPKEERPTCCHTF-UHFFFAOYSA-N -1 3 340.355 2.244 20 5 EEBDHM O=C(CCCC1CC1)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107459226 787270017 /nfs/dbraw/zinc/27/00/17/787270017.db2.gz CHOJKMHOKFCKKD-UPHRSURJSA-N -1 3 334.376 2.360 20 5 EEBDHM O=C(CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001064505243 793234228 /nfs/dbraw/zinc/23/42/28/793234228.db2.gz OROOQWIGQSDVIN-BETUJISGSA-N -1 3 346.387 2.065 20 5 EEBDHM CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001064522699 793320352 /nfs/dbraw/zinc/32/03/52/793320352.db2.gz SQQOERXQCUSJOU-TXEJJXNPSA-N -1 3 348.403 2.311 20 5 EEBDHM Cc1sccc1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110130331 793808912 /nfs/dbraw/zinc/80/89/12/793808912.db2.gz DLMNXFRXHNKSKK-UHFFFAOYSA-N -1 3 348.384 2.440 20 5 EEBDHM CCc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])oc1CC ZINC001093768977 795669343 /nfs/dbraw/zinc/66/93/43/795669343.db2.gz SXCKZYFOIXEITJ-UHFFFAOYSA-N -1 3 348.359 2.255 20 5 EEBDHM O=[N+]([O-])c1c(Br)ccnc1NCc1ncccc1[O-] ZINC001169731030 804017264 /nfs/dbraw/zinc/01/72/64/804017264.db2.gz AMZJHPDLLUTDLR-UHFFFAOYSA-N -1 3 325.122 2.465 20 5 EEBDHM O=C([N-]c1cccc2nonc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000808802227 812864280 /nfs/dbraw/zinc/86/42/80/812864280.db2.gz KANYDLIVJHOMMJ-UHFFFAOYSA-N -1 3 342.267 2.155 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499473 948414878 /nfs/dbraw/zinc/41/48/78/948414878.db2.gz JYFYCSGVMYZSDE-UHFFFAOYSA-N -1 3 347.285 2.169 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499473 948414882 /nfs/dbraw/zinc/41/48/82/948414882.db2.gz JYFYCSGVMYZSDE-UHFFFAOYSA-N -1 3 347.285 2.169 20 5 EEBDHM C[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C(=O)[O-] ZINC001589333865 953971551 /nfs/dbraw/zinc/97/15/51/953971551.db2.gz DCPZBIGSGVHPPY-HZMBPMFUSA-N -1 3 336.344 2.146 20 5 EEBDHM O=C([O-])[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC001594953548 954967516 /nfs/dbraw/zinc/96/75/16/954967516.db2.gz KNUZECYNLWKQGZ-DLBZAZTESA-N -1 3 342.351 2.312 20 5 EEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189998106 282281632 /nfs/dbraw/zinc/28/16/32/282281632.db2.gz BAOHEJCUKOZQME-CYBMUJFWSA-N -1 3 344.433 2.287 20 5 EEBDHM O=C(Nc1nc2c(s1)COCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000075578661 284421702 /nfs/dbraw/zinc/42/17/02/284421702.db2.gz LNJOBSGDXUGOIQ-UHFFFAOYSA-N -1 3 345.340 2.253 20 5 EEBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119215434 221268320 /nfs/dbraw/zinc/26/83/20/221268320.db2.gz LOILVMBLCZLDBX-IUODEOHRSA-N -1 3 344.433 2.287 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1C ZINC000253294819 160394405 /nfs/dbraw/zinc/39/44/05/160394405.db2.gz MLACABBXBGCLDP-SCRDCRAPSA-N -1 3 340.401 2.057 20 5 EEBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121004049 159398926 /nfs/dbraw/zinc/39/89/26/159398926.db2.gz FBRQBTDAQOVTML-TZMCWYRMSA-N -1 3 342.417 2.448 20 5 EEBDHM C[C@@H](NC(=O)c1c[n-]c2ccncc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000341920371 161024118 /nfs/dbraw/zinc/02/41/18/161024118.db2.gz QROVIRNCJHFRMM-SNVBAGLBSA-N -1 3 338.323 2.322 20 5 EEBDHM COc1cc(CNc2cccc3c2CNC3=O)c([N+](=O)[O-])cc1[O-] ZINC000342070092 161037113 /nfs/dbraw/zinc/03/71/13/161037113.db2.gz IXSDJRXUWCRPQX-UHFFFAOYSA-N -1 3 329.312 2.165 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cnn3ccccc23)c([N+](=O)[O-])c1 ZINC000352603390 162207971 /nfs/dbraw/zinc/20/79/71/162207971.db2.gz JCEQYJAPGZPCBW-UHFFFAOYSA-N -1 3 346.368 2.029 20 5 EEBDHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000365663635 165566450 /nfs/dbraw/zinc/56/64/50/165566450.db2.gz WSAPUYCLGBXZTG-UHFFFAOYSA-N -1 3 342.311 2.223 20 5 EEBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N-]OC1CCCC1 ZINC000271849255 274159202 /nfs/dbraw/zinc/15/92/02/274159202.db2.gz ZMIJBUQBHYUCRT-UHFFFAOYSA-N -1 3 349.343 2.273 20 5 EEBDHM O=C(Nc1ccc(N2CCCCC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277771859 274323344 /nfs/dbraw/zinc/32/33/44/274323344.db2.gz LEMJPFXJHCIWKT-UHFFFAOYSA-N -1 3 343.343 2.333 20 5 EEBDHM O=C(Nc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344957945 280067163 /nfs/dbraw/zinc/06/71/63/280067163.db2.gz SZCWAPMIDPNDNU-UHFFFAOYSA-N -1 3 343.324 2.466 20 5 EEBDHM Cc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1C ZINC000345403413 302819815 /nfs/dbraw/zinc/81/98/15/302819815.db2.gz UHISWOPWCCSHIF-UHFFFAOYSA-N -1 3 340.137 2.047 20 5 EEBDHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332175413 311962433 /nfs/dbraw/zinc/96/24/33/311962433.db2.gz VGWBTMZUAHUGKW-HTQZYQBOSA-N -1 3 349.206 2.292 20 5 EEBDHM 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O=C(Nc1ccc(-n2ccnn2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000171047576 463768114 /nfs/dbraw/zinc/76/81/14/463768114.db2.gz LBSXRNGNHWQIGV-UHFFFAOYSA-N -1 3 349.310 2.304 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CO ZINC000178917703 464013214 /nfs/dbraw/zinc/01/32/14/464013214.db2.gz SFRUCVAUDJWLQH-GXSJLCMTSA-N -1 3 348.808 2.078 20 5 EEBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000269772855 464089294 /nfs/dbraw/zinc/08/92/94/464089294.db2.gz NBOIVRQUQJRVHF-CQSZACIVSA-N -1 3 330.406 2.041 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000279650901 464119064 /nfs/dbraw/zinc/11/90/64/464119064.db2.gz BSBTZQIANJWDLZ-NSHDSACASA-N -1 3 330.431 2.243 20 5 EEBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173031214 464180694 /nfs/dbraw/zinc/18/06/94/464180694.db2.gz NZIHDOKEFGMRAW-UHFFFAOYSA-N -1 3 349.368 2.148 20 5 EEBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000188291111 464245327 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EEBDHM COc1cc(CNc2nc3ccc(F)cc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000362082976 466541756 /nfs/dbraw/zinc/54/17/56/466541756.db2.gz KGRZAJOWIGJFOC-UHFFFAOYSA-N -1 3 346.318 2.947 20 5 EEBDHM COCC1(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC1 ZINC000339010532 466567892 /nfs/dbraw/zinc/56/78/92/466567892.db2.gz PTBCASPZXRDXBB-UHFFFAOYSA-N -1 3 342.417 2.388 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)cc1C ZINC000452021794 467305835 /nfs/dbraw/zinc/30/58/35/467305835.db2.gz UGGXDMBSURQCHR-ZDUSSCGKSA-N -1 3 342.417 2.307 20 5 EEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1cncc([O-])c1 ZINC000492830579 467766088 /nfs/dbraw/zinc/76/60/88/467766088.db2.gz CTOVTCGNHZZMNC-SREVYHEPSA-N -1 3 327.340 2.410 20 5 EEBDHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000490524802 468217062 /nfs/dbraw/zinc/21/70/62/468217062.db2.gz VGEOCVDIWSKVFI-UHFFFAOYSA-N -1 3 339.373 2.073 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000601371706 468846357 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EEBDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000612174652 469410894 /nfs/dbraw/zinc/41/08/94/469410894.db2.gz VQAUFMVDFNQFLN-GJZGRUSLSA-N -1 3 340.401 2.139 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1cccnc1)C1CC1 ZINC000738357548 578010578 /nfs/dbraw/zinc/01/05/78/578010578.db2.gz FGWOVOCQMJLYJB-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1cccnc1)C1CC1 ZINC000738357548 578010579 /nfs/dbraw/zinc/01/05/79/578010579.db2.gz FGWOVOCQMJLYJB-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000752251161 577767967 /nfs/dbraw/zinc/76/79/67/577767967.db2.gz NFBVRPKICBJUKI-ZDUSSCGKSA-N -1 3 348.808 2.262 20 5 EEBDHM CCOc1cc(C(=O)[N-]O[C@H]2CCCCO2)c([N+](=O)[O-])cc1OC ZINC000749375677 577975329 /nfs/dbraw/zinc/97/53/29/577975329.db2.gz SWIAPMDBGOLXKQ-AWEZNQCLSA-N -1 3 340.332 2.190 20 5 EEBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(-c2nnn[n-]2)c1 ZINC000736156388 578184842 /nfs/dbraw/zinc/18/48/42/578184842.db2.gz AROSPJNWXGMSHN-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(-c2nn[n-]n2)c1 ZINC000736156388 578184843 /nfs/dbraw/zinc/18/48/43/578184843.db2.gz AROSPJNWXGMSHN-SECBINFHSA-N -1 3 342.315 2.031 20 5 EEBDHM C[C@H]1C[C@H]1c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000736235870 578189504 /nfs/dbraw/zinc/18/95/04/578189504.db2.gz HPRPLYDPSRWYDC-GZMMTYOYSA-N -1 3 341.331 2.498 20 5 EEBDHM C[C@H]1C[C@H]1c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000736235870 578189505 /nfs/dbraw/zinc/18/95/05/578189505.db2.gz HPRPLYDPSRWYDC-GZMMTYOYSA-N -1 3 341.331 2.498 20 5 EEBDHM CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736508371 578209400 /nfs/dbraw/zinc/20/94/00/578209400.db2.gz KRUVIFNBKZKJMF-UHFFFAOYSA-N -1 3 338.327 2.442 20 5 EEBDHM CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736508371 578209401 /nfs/dbraw/zinc/20/94/01/578209401.db2.gz KRUVIFNBKZKJMF-UHFFFAOYSA-N -1 3 338.327 2.442 20 5 EEBDHM COCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737021983 578233443 /nfs/dbraw/zinc/23/34/43/578233443.db2.gz GPSSYZMETFBVSS-UHFFFAOYSA-N -1 3 327.304 2.060 20 5 EEBDHM COCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737021983 578233444 /nfs/dbraw/zinc/23/34/44/578233444.db2.gz GPSSYZMETFBVSS-UHFFFAOYSA-N -1 3 327.304 2.060 20 5 EEBDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737238468 578245201 /nfs/dbraw/zinc/24/52/01/578245201.db2.gz NQPRPDNFOQZLIK-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737238468 578245202 /nfs/dbraw/zinc/24/52/02/578245202.db2.gz NQPRPDNFOQZLIK-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]2CCCO[C@@H]21 ZINC000820584934 599042971 /nfs/dbraw/zinc/04/29/71/599042971.db2.gz LPFSNPDHYQNEFT-HONMWMINSA-N -1 3 344.375 2.390 20 5 EEBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]2CCCO[C@@H]21 ZINC000820584934 599042974 /nfs/dbraw/zinc/04/29/74/599042974.db2.gz LPFSNPDHYQNEFT-HONMWMINSA-N -1 3 344.375 2.390 20 5 EEBDHM CSC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821956394 599564328 /nfs/dbraw/zinc/56/43/28/599564328.db2.gz NRSQLOOOBYGNDY-QMMMGPOBSA-N -1 3 345.388 2.487 20 5 EEBDHM CSC[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821956394 599564330 /nfs/dbraw/zinc/56/43/30/599564330.db2.gz NRSQLOOOBYGNDY-QMMMGPOBSA-N -1 3 345.388 2.487 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821956443 607386035 /nfs/dbraw/zinc/38/60/35/607386035.db2.gz OWZQIDPSHSLRIE-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821956443 607386037 /nfs/dbraw/zinc/38/60/37/607386037.db2.gz OWZQIDPSHSLRIE-LLVKDONJSA-N -1 3 334.405 2.497 20 5 EEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1-c1nnn[n-]1 ZINC000826203826 607559851 /nfs/dbraw/zinc/55/98/51/607559851.db2.gz HYLTVLBDNDEDHE-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM COc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1-c1nn[n-]n1 ZINC000826203826 607559852 /nfs/dbraw/zinc/55/98/52/607559852.db2.gz HYLTVLBDNDEDHE-UHFFFAOYSA-N -1 3 332.345 2.457 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826499134 607681754 /nfs/dbraw/zinc/68/17/54/607681754.db2.gz WWFKRZNNCURPPH-VXGBXAGGSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826499134 607681756 /nfs/dbraw/zinc/68/17/56/607681756.db2.gz WWFKRZNNCURPPH-VXGBXAGGSA-N -1 3 344.375 2.028 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822271125 606268740 /nfs/dbraw/zinc/26/87/40/606268740.db2.gz NFHRFNMGQLIHFT-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822271125 606268741 /nfs/dbraw/zinc/26/87/41/606268741.db2.gz NFHRFNMGQLIHFT-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM Cc1c(OC(=O)c2cc(-c3nnn[n-]3)cs2)cccc1[N+](=O)[O-] ZINC000822129580 606463224 /nfs/dbraw/zinc/46/32/24/606463224.db2.gz MCBLRZKOSVZDHY-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM Cc1c(OC(=O)c2cc(-c3nn[n-]n3)cs2)cccc1[N+](=O)[O-] ZINC000822129580 606463225 /nfs/dbraw/zinc/46/32/25/606463225.db2.gz MCBLRZKOSVZDHY-UHFFFAOYSA-N -1 3 331.313 2.364 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822271211 607026474 /nfs/dbraw/zinc/02/64/74/607026474.db2.gz QUAKKBXBHXAGNK-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822271211 607026475 /nfs/dbraw/zinc/02/64/75/607026475.db2.gz QUAKKBXBHXAGNK-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1csc([N+](=O)[O-])c1 ZINC000823450197 607250192 /nfs/dbraw/zinc/25/01/92/607250192.db2.gz JFJFRJYVFTWUMF-UHFFFAOYSA-N -1 3 335.276 2.195 20 5 EEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1csc([N+](=O)[O-])c1 ZINC000823450197 607250193 /nfs/dbraw/zinc/25/01/93/607250193.db2.gz JFJFRJYVFTWUMF-UHFFFAOYSA-N -1 3 335.276 2.195 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H](c2cccnc2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000826500552 607969101 /nfs/dbraw/zinc/96/91/01/607969101.db2.gz BTJQLOSAPVHRAH-CYBMUJFWSA-N -1 3 338.331 2.128 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H](c2cccnc2)C2CC2)c(-c2nn[n-]n2)c1 ZINC000826500552 607969102 /nfs/dbraw/zinc/96/91/02/607969102.db2.gz BTJQLOSAPVHRAH-CYBMUJFWSA-N -1 3 338.331 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000826498466 608153719 /nfs/dbraw/zinc/15/37/19/608153719.db2.gz WFABRLBIMNBVPS-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1ccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000826498466 608153720 /nfs/dbraw/zinc/15/37/20/608153720.db2.gz WFABRLBIMNBVPS-UHFFFAOYSA-N -1 3 337.343 2.339 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C1CCOCC1 ZINC000826497421 609169920 /nfs/dbraw/zinc/16/99/20/609169920.db2.gz GXCPTXZSIFMAAQ-ZDUSSCGKSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C1CCOCC1 ZINC000826497421 609169921 /nfs/dbraw/zinc/16/99/21/609169921.db2.gz GXCPTXZSIFMAAQ-ZDUSSCGKSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC000826499372 609477700 /nfs/dbraw/zinc/47/77/00/609477700.db2.gz GLULANFWKVERCS-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC000826499372 609477702 /nfs/dbraw/zinc/47/77/02/609477702.db2.gz GLULANFWKVERCS-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM COc1c([O-])ccc(CN2C[C@H](CO)Cc3ccccc32)c1[N+](=O)[O-] ZINC000894580050 682980158 /nfs/dbraw/zinc/98/01/58/682980158.db2.gz ICWYVEVIQSHREM-GFCCVEGCSA-N -1 3 344.367 2.480 20 5 EEBDHM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC001059218852 683327959 /nfs/dbraw/zinc/32/79/59/683327959.db2.gz ZSOVEBVWUBKXSK-JOCQHMNTSA-N -1 3 342.355 2.377 20 5 EEBDHM COc1c([O-])ccc(CN2c3ccccc3C[C@@H]2CO)c1[N+](=O)[O-] ZINC000895328818 684498345 /nfs/dbraw/zinc/49/83/45/684498345.db2.gz BCVDIVUBSLIPGL-CYBMUJFWSA-N -1 3 330.340 2.233 20 5 EEBDHM CC(C)=C(C)CC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105522886 1188147055 /nfs/dbraw/zinc/14/70/55/1188147055.db2.gz JPJTWXDLWOGYCF-UHFFFAOYSA-N -1 3 336.392 2.336 20 5 EEBDHM COc1nc(C)ccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212937236 1214667980 /nfs/dbraw/zinc/66/79/80/1214667980.db2.gz UYJHGIRCIGLCHH-UHFFFAOYSA-N -1 3 329.272 2.124 20 5 EEBDHM CC1(CC(=O)NCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C2CC2)CC1 ZINC001096059447 1234180618 /nfs/dbraw/zinc/18/06/18/1234180618.db2.gz JRPYCXILLXEFQI-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM CCCN(CCNC(=O)c1cocc1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101214565 1245526660 /nfs/dbraw/zinc/52/66/60/1245526660.db2.gz LICRMRNQCAMLMQ-UHFFFAOYSA-N -1 3 348.359 2.243 20 5 EEBDHM CCCN(CCNC(=O)C(C)(C)CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101228500 1245544162 /nfs/dbraw/zinc/54/41/62/1245544162.db2.gz BZKRWLSOIVFVJD-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCN(C(=O)C=C2CCC2)CC1 ZINC001068664783 1251485458 /nfs/dbraw/zinc/48/54/58/1251485458.db2.gz CTQTWSHIQVHIDN-UHFFFAOYSA-N -1 3 346.387 2.233 20 5 EEBDHM C[C@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000858841632 1294241904 /nfs/dbraw/zinc/24/19/04/1294241904.db2.gz ZUZNOJIAOPONDN-SECBINFHSA-N -1 3 326.353 2.045 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)c2ccccc2[O-])n1 ZINC001101520021 1299677317 /nfs/dbraw/zinc/67/73/17/1299677317.db2.gz DJKALFPICRWTJD-UHFFFAOYSA-N -1 3 330.344 2.188 20 5 EEBDHM CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001102185356 1300523821 /nfs/dbraw/zinc/52/38/21/1300523821.db2.gz YGBCADGKFHRYRC-TXEJJXNPSA-N -1 3 334.376 2.065 20 5 EEBDHM O=C(C=C1CCC1)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111788407 1303888927 /nfs/dbraw/zinc/88/89/27/1303888927.db2.gz OMILLDNUGXJJTH-UHFFFAOYSA-N -1 3 332.360 2.257 20 5 EEBDHM Cc1ccc2c(c1)[C@H]([N-]c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2 ZINC001155108216 1317460421 /nfs/dbraw/zinc/46/04/21/1317460421.db2.gz PODSDZFUZDAHAK-LBPRGKRZSA-N -1 3 329.272 2.312 20 5 EEBDHM COC(=O)c1cc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC001306910008 1331497188 /nfs/dbraw/zinc/49/71/88/1331497188.db2.gz PCNQEECTNQTLSJ-UHFFFAOYSA-N -1 3 348.267 2.061 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001609090868 1351838275 /nfs/dbraw/zinc/83/82/75/1351838275.db2.gz HSFCQCCWIOIUIA-GWCFXTLKSA-N -1 3 347.379 2.033 20 5 EEBDHM CC(C)[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001609090868 1351838278 /nfs/dbraw/zinc/83/82/78/1351838278.db2.gz HSFCQCCWIOIUIA-GWCFXTLKSA-N -1 3 347.379 2.033 20 5 EEBDHM CO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C12CCC2 ZINC001609313227 1351929655 /nfs/dbraw/zinc/92/96/55/1351929655.db2.gz GKHPGGMPYCFDRW-CHWSQXEVSA-N -1 3 330.348 2.144 20 5 EEBDHM CO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C12CCC2 ZINC001609313227 1351929657 /nfs/dbraw/zinc/92/96/57/1351929657.db2.gz GKHPGGMPYCFDRW-CHWSQXEVSA-N -1 3 330.348 2.144 20 5 EEBDHM Cc1cc(N2CCC[C@@H](CCO)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404641 1351963565 /nfs/dbraw/zinc/96/35/65/1351963565.db2.gz GSBHPABQTINQKD-GFCCVEGCSA-N -1 3 346.391 2.072 20 5 EEBDHM Cc1cc(N2CCC[C@@H](CCO)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404641 1351963567 /nfs/dbraw/zinc/96/35/67/1351963567.db2.gz GSBHPABQTINQKD-GFCCVEGCSA-N -1 3 346.391 2.072 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](CO)C1CCCCC1 ZINC001609600068 1352029737 /nfs/dbraw/zinc/02/97/37/1352029737.db2.gz ONRJRECEBXPYOC-ZDUSSCGKSA-N -1 3 346.391 2.376 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](CO)C1CCCCC1 ZINC001609600068 1352029741 /nfs/dbraw/zinc/02/97/41/1352029741.db2.gz ONRJRECEBXPYOC-ZDUSSCGKSA-N -1 3 346.391 2.376 20 5 EEBDHM CC(C)(CF)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001333145594 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ASYSNINRPUJJKW-VIFPVBQESA-N -1 3 348.363 2.307 20 5 EEBDHM C[C@@H](CC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589793776 1349044955 /nfs/dbraw/zinc/04/49/55/1349044955.db2.gz ASYSNINRPUJJKW-VIFPVBQESA-N -1 3 348.363 2.307 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1Oc1ncc(-c2nnn[n-]2)cc1F ZINC001591554660 1349506418 /nfs/dbraw/zinc/50/64/18/1349506418.db2.gz GOCJVPRKFOMWDB-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1Oc1ncc(-c2nn[n-]n2)cc1F ZINC001591554660 1349506428 /nfs/dbraw/zinc/50/64/28/1349506428.db2.gz GOCJVPRKFOMWDB-UHFFFAOYSA-N -1 3 332.251 2.110 20 5 EEBDHM Cc1ccc(F)c(CN(C)c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592173798 1349602246 /nfs/dbraw/zinc/60/22/46/1349602246.db2.gz PGUXYOPDJGZPOI-UHFFFAOYSA-N -1 3 343.322 2.254 20 5 EEBDHM Cc1ccc(F)c(CN(C)c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592173798 1349602251 /nfs/dbraw/zinc/60/22/51/1349602251.db2.gz PGUXYOPDJGZPOI-UHFFFAOYSA-N -1 3 343.322 2.254 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001593471117 1349805759 /nfs/dbraw/zinc/80/57/59/1349805759.db2.gz NTKUGLMQTASLOF-JQWIXIFHSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001593471117 1349805767 /nfs/dbraw/zinc/80/57/67/1349805767.db2.gz NTKUGLMQTASLOF-JQWIXIFHSA-N -1 3 329.364 2.408 20 5 EEBDHM O=[N+]([O-])c1ccc(NCC2(C3(O)CCC3)CCC2)c(-c2nnn[n-]2)c1 ZINC001593478256 1349811080 /nfs/dbraw/zinc/81/10/80/1349811080.db2.gz RWTYNWAZGIKIRV-UHFFFAOYSA-N -1 3 344.375 2.272 20 5 EEBDHM O=[N+]([O-])c1ccc(NCC2(C3(O)CCC3)CCC2)c(-c2nn[n-]n2)c1 ZINC001593478256 1349811086 /nfs/dbraw/zinc/81/10/86/1349811086.db2.gz RWTYNWAZGIKIRV-UHFFFAOYSA-N -1 3 344.375 2.272 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC([C@H]2CCOC2)CC1 ZINC001593479852 1349811983 /nfs/dbraw/zinc/81/19/83/1349811983.db2.gz APRCELIAPZCLCE-LBPRGKRZSA-N -1 3 344.375 2.028 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC([C@H]2CCOC2)CC1 ZINC001593479852 1349811986 /nfs/dbraw/zinc/81/19/86/1349811986.db2.gz APRCELIAPZCLCE-LBPRGKRZSA-N -1 3 344.375 2.028 20 5 EEBDHM O=C([O-])C[C@@H]1CCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001601954110 1350404995 /nfs/dbraw/zinc/40/49/95/1350404995.db2.gz VLJDRWGGOFRDAF-ZDUSSCGKSA-N -1 3 330.344 2.355 20 5 EEBDHM CC(C)C[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603269964 1350676013 /nfs/dbraw/zinc/67/60/13/1350676013.db2.gz HPYYQYINWDHESY-GFCCVEGCSA-N -1 3 332.364 2.026 20 5 EEBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccncc1 ZINC001603552535 1350719490 /nfs/dbraw/zinc/71/94/90/1350719490.db2.gz CPBHSJVGFMLROH-SNVBAGLBSA-N -1 3 325.332 2.386 20 5 EEBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccncc1 ZINC001603552535 1350719494 /nfs/dbraw/zinc/71/94/94/1350719494.db2.gz CPBHSJVGFMLROH-SNVBAGLBSA-N -1 3 325.332 2.386 20 5 EEBDHM CC[C@H](COCC1CC1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604039312 1350836226 /nfs/dbraw/zinc/83/62/26/1350836226.db2.gz JEUYLWKCCHLNKQ-LLVKDONJSA-N 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ZINC001606451473 1351304217 /nfs/dbraw/zinc/30/42/17/1351304217.db2.gz KPISRVANPRVASU-UHFFFAOYSA-N -1 3 347.379 2.118 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc(C=O)cc2F)c1-c1nnn[n-]1 ZINC001606451033 1351304248 /nfs/dbraw/zinc/30/42/48/1351304248.db2.gz DFWYHRCUTJTTSF-UHFFFAOYSA-N -1 3 344.262 2.101 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc(C=O)cc2F)c1-c1nn[n-]n1 ZINC001606451033 1351304251 /nfs/dbraw/zinc/30/42/51/1351304251.db2.gz DFWYHRCUTJTTSF-UHFFFAOYSA-N -1 3 344.262 2.101 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCC[C@H](F)C1 ZINC001606977217 1351390130 /nfs/dbraw/zinc/39/01/30/1351390130.db2.gz KZNIQYYBUOYKTK-JQWIXIFHSA-N -1 3 349.322 2.346 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[C@H](F)C1 ZINC001606977217 1351390132 /nfs/dbraw/zinc/39/01/32/1351390132.db2.gz KZNIQYYBUOYKTK-JQWIXIFHSA-N -1 3 349.322 2.346 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCOc2cc(F)ccc21 ZINC001607083156 1351410964 /nfs/dbraw/zinc/41/09/64/1351410964.db2.gz 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O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780458703 1371160195 /nfs/dbraw/zinc/16/01/95/1371160195.db2.gz KDYCKMXFOVCXEO-UHFFFAOYSA-N -1 3 339.311 2.016 20 5 EEBDHM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780458703 1371160198 /nfs/dbraw/zinc/16/01/98/1371160198.db2.gz KDYCKMXFOVCXEO-UHFFFAOYSA-N -1 3 339.311 2.016 20 5 EEBDHM CCn1ccnc1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848589887 1373160074 /nfs/dbraw/zinc/16/00/74/1373160074.db2.gz HVVTWPZJHCHKSG-UHFFFAOYSA-N -1 3 340.286 2.099 20 5 EEBDHM COc1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591651044 1403936518 /nfs/dbraw/zinc/93/65/18/1403936518.db2.gz ICRZFCAFGQVHIC-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591651044 1403936531 /nfs/dbraw/zinc/93/65/31/1403936531.db2.gz ICRZFCAFGQVHIC-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM Cc1noc(C)c1N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592459318 1404693338 /nfs/dbraw/zinc/69/33/38/1404693338.db2.gz DIXRHKFZRLWPCC-UHFFFAOYSA-N -1 3 329.320 2.016 20 5 EEBDHM Cc1noc(C)c1N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592459318 1404693348 /nfs/dbraw/zinc/69/33/48/1404693348.db2.gz DIXRHKFZRLWPCC-UHFFFAOYSA-N -1 3 329.320 2.016 20 5 EEBDHM CC(C)(C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091311117 790292126 /nfs/dbraw/zinc/29/21/26/790292126.db2.gz SZKQFWKAPCTBAW-PHIMTYICSA-N -1 3 336.392 2.438 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1)c1ccoc1 ZINC001104358973 759723332 /nfs/dbraw/zinc/72/33/32/759723332.db2.gz DGHFGLNRCPKXLT-UHFFFAOYSA-N -1 3 346.343 2.443 20 5 EEBDHM CCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091503092 790994048 /nfs/dbraw/zinc/99/40/48/790994048.db2.gz MJCBJCNFYBIEGF-XYPYZODXSA-N -1 3 336.392 2.438 20 5 EEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C(F)F ZINC001109611984 805749158 /nfs/dbraw/zinc/74/91/58/805749158.db2.gz DWKCRAYFXGTZHL-UHFFFAOYSA-N -1 3 346.334 2.247 20 5 EEBDHM CC(C)C1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107505894 787477391 /nfs/dbraw/zinc/47/73/91/787477391.db2.gz DDWWKFOIUSJRJQ-ONEGZZNKSA-N -1 3 334.376 2.216 20 5 EEBDHM O=C([O-])[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000846269690 790110416 /nfs/dbraw/zinc/11/04/16/790110416.db2.gz BFUQWOBZVQSRPZ-SJORKVTESA-N -1 3 342.351 2.312 20 5 EEBDHM CCCc1occc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093747111 795652379 /nfs/dbraw/zinc/65/23/79/795652379.db2.gz CCCJLEQEARQQFZ-UHFFFAOYSA-N -1 3 334.332 2.083 20 5 EEBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1cccs1 ZINC001110052161 806459306 /nfs/dbraw/zinc/45/93/06/806459306.db2.gz IVWYVMORIHTLDK-UHFFFAOYSA-N -1 3 334.357 2.131 20 5 EEBDHM Cc1cc(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cs1 ZINC001110180363 798002912 /nfs/dbraw/zinc/00/29/12/798002912.db2.gz GJJVWBGHWXALKI-UHFFFAOYSA-N -1 3 348.384 2.440 20 5 EEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 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COc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001605301175 1351130055 /nfs/dbraw/zinc/13/00/55/1351130055.db2.gz NNVBFHLXHUKQIB-UHFFFAOYSA-N -1 3 326.316 2.396 20 5 EEBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309403581 1331629023 /nfs/dbraw/zinc/62/90/23/1331629023.db2.gz HZFHYOVHHWGFOF-UHFFFAOYSA-N -1 3 348.396 2.262 20 5 EEBDHM C[C@H](COCC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609115265 1351849997 /nfs/dbraw/zinc/84/99/97/1351849997.db2.gz QXHJUWCXSZSONC-SSDOTTSWSA-N -1 3 346.269 2.154 20 5 EEBDHM C[C@H](COCC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609115265 1351850003 /nfs/dbraw/zinc/85/00/03/1351850003.db2.gz QXHJUWCXSZSONC-SSDOTTSWSA-N -1 3 346.269 2.154 20 5 EEBDHM C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609122191 1351851187 /nfs/dbraw/zinc/85/11/87/1351851187.db2.gz CDTZFVAOCJKTCP-QMMMGPOBSA-N -1 3 344.356 2.327 20 5 EEBDHM C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609122191 1351851191 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EEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001609416289 1351967145 /nfs/dbraw/zinc/96/71/45/1351967145.db2.gz TWUOKYKHLACUDC-UHFFFAOYSA-N -1 3 342.290 2.475 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H](OCC2CC2)C1 ZINC001609600885 1352031291 /nfs/dbraw/zinc/03/12/91/1352031291.db2.gz IOSOWBBEIOVTRA-ZDUSSCGKSA-N -1 3 344.375 2.170 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](OCC2CC2)C1 ZINC001609600885 1352031294 /nfs/dbraw/zinc/03/12/94/1352031294.db2.gz IOSOWBBEIOVTRA-ZDUSSCGKSA-N -1 3 344.375 2.170 20 5 EEBDHM CCN(CCNC(=O)C(C)(CC)CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100545321 1338488217 /nfs/dbraw/zinc/48/82/17/1338488217.db2.gz VNMNQDQZDZZFIP-UHFFFAOYSA-N -1 3 338.408 2.464 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2cc(Cl)ccn2)c1-c1nnn[n-]1 ZINC001581909549 1344686397 /nfs/dbraw/zinc/68/63/97/1344686397.db2.gz JTLIQUAABCGALW-UHFFFAOYSA-N -1 3 346.738 2.018 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCc2cc(Cl)ccn2)c1-c1nn[n-]n1 ZINC001581909549 1344686401 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EEBDHM Cc1nn(Cc2ccc(Cl)cc2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC001592438076 1349632008 /nfs/dbraw/zinc/63/20/08/1349632008.db2.gz SJSJIBRWYMLSIJ-UHFFFAOYSA-N -1 3 333.739 2.290 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC(CCF)CC1 ZINC001593469503 1349804558 /nfs/dbraw/zinc/80/45/58/1349804558.db2.gz SXORNUFSSPMXBQ-UHFFFAOYSA-N -1 3 338.318 2.490 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC(CCF)CC1 ZINC001593469503 1349804562 /nfs/dbraw/zinc/80/45/62/1349804562.db2.gz SXORNUFSSPMXBQ-UHFFFAOYSA-N -1 3 338.318 2.490 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCOc1ccccc1 ZINC001593469216 1349804704 /nfs/dbraw/zinc/80/47/04/1349804704.db2.gz UBQBKTAYBOVFOW-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCOc1ccccc1 ZINC001593469216 1349804705 /nfs/dbraw/zinc/80/47/05/1349804705.db2.gz UBQBKTAYBOVFOW-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001593469410 1349804723 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CCC(CC)(CO)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604020238 1350831674 /nfs/dbraw/zinc/83/16/74/1350831674.db2.gz UCVASOHOANSYPJ-UHFFFAOYSA-N -1 3 334.380 2.294 20 5 EEBDHM CCC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001604152108 1350875193 /nfs/dbraw/zinc/87/51/93/1350875193.db2.gz HZRAYZSAEIYJNT-SNVBAGLBSA-N -1 3 331.380 2.374 20 5 EEBDHM CCC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001604152108 1350875195 /nfs/dbraw/zinc/87/51/95/1350875195.db2.gz HZRAYZSAEIYJNT-SNVBAGLBSA-N -1 3 331.380 2.374 20 5 EEBDHM CCc1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001604524546 1350954986 /nfs/dbraw/zinc/95/49/86/1350954986.db2.gz QBZJVVDTJWGCCA-UHFFFAOYSA-N -1 3 331.361 2.406 20 5 EEBDHM CCc1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001604524546 1350954988 /nfs/dbraw/zinc/95/49/88/1350954988.db2.gz QBZJVVDTJWGCCA-UHFFFAOYSA-N -1 3 331.361 2.406 20 5 EEBDHM COc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001605297015 1351128187 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345.750 2.460 20 5 EEBDHM CO[C@@](C)([C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001604998012 1351048987 /nfs/dbraw/zinc/04/89/87/1351048987.db2.gz OQEQERCMJBOMKG-PSLIRLAXSA-N -1 3 332.364 2.390 20 5 EEBDHM CO[C@@](C)([C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001604998012 1351048988 /nfs/dbraw/zinc/04/89/88/1351048988.db2.gz OQEQERCMJBOMKG-PSLIRLAXSA-N -1 3 332.364 2.390 20 5 EEBDHM Cc1c(C(=O)OCc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC001605486405 1351169809 /nfs/dbraw/zinc/16/98/09/1351169809.db2.gz TZXFQSJIXMRTKS-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1c(C(=O)OCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC001605486405 1351169813 /nfs/dbraw/zinc/16/98/13/1351169813.db2.gz TZXFQSJIXMRTKS-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1-c1nnn[n-]1 ZINC001605824308 1351229174 /nfs/dbraw/zinc/22/91/74/1351229174.db2.gz VPZZAKXKEZPEAL-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1-c1nn[n-]n1 ZINC001605824308 1351229176 /nfs/dbraw/zinc/22/91/76/1351229176.db2.gz VPZZAKXKEZPEAL-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001605884241 1351246062 /nfs/dbraw/zinc/24/60/62/1351246062.db2.gz SKFYLMJWQHHRBJ-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001605884241 1351246066 /nfs/dbraw/zinc/24/60/66/1351246066.db2.gz SKFYLMJWQHHRBJ-HNNXBMFYSA-N -1 3 340.343 2.229 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001605884534 1351246261 /nfs/dbraw/zinc/24/62/61/1351246261.db2.gz LNMIOZBTOWBPLA-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001605884534 1351246263 /nfs/dbraw/zinc/24/62/63/1351246263.db2.gz LNMIOZBTOWBPLA-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](c2cccnc2)C1 ZINC001607078692 1351407476 /nfs/dbraw/zinc/40/74/76/1351407476.db2.gz CEWMJIMKDUOSMH-CYBMUJFWSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2cccnc2)C1 ZINC001607078692 1351407480 /nfs/dbraw/zinc/40/74/80/1351407480.db2.gz CEWMJIMKDUOSMH-CYBMUJFWSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOc1ccccc1F ZINC001607082466 1351410271 /nfs/dbraw/zinc/41/02/71/1351410271.db2.gz QWFPJTFHWWAARN-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOc1ccccc1F ZINC001607082466 1351410272 /nfs/dbraw/zinc/41/02/72/1351410272.db2.gz QWFPJTFHWWAARN-UHFFFAOYSA-N -1 3 344.306 2.405 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC(C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC001607084109 1351410956 /nfs/dbraw/zinc/41/09/56/1351410956.db2.gz YGNFYZMDRSMTCD-UHFFFAOYSA-N -1 3 337.343 2.169 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC(C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC001607084109 1351410958 /nfs/dbraw/zinc/41/09/58/1351410958.db2.gz YGNFYZMDRSMTCD-UHFFFAOYSA-N -1 3 337.343 2.169 20 5 EEBDHM COc1cc(OC(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1nnn[n-]1 ZINC001591548464 1403925860 /nfs/dbraw/zinc/92/58/60/1403925860.db2.gz PCVDXKIBXKTIKA-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM COc1cc(OC(=O)c2ccc([N+](=O)[O-])s2)ccc1-c1nn[n-]n1 ZINC001591548464 1403925870 /nfs/dbraw/zinc/92/58/70/1403925870.db2.gz PCVDXKIBXKTIKA-UHFFFAOYSA-N -1 3 347.312 2.064 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC(C)(C)C1 ZINC001105382397 781348233 /nfs/dbraw/zinc/34/82/33/781348233.db2.gz CRRNQMWNIDZBPC-UHFFFAOYSA-N -1 3 336.392 2.026 20 5 EEBDHM CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCC1 ZINC001112153284 781499098 /nfs/dbraw/zinc/49/90/98/781499098.db2.gz WNIRUCRRAWCWPT-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM CC[C@@H](C)CO[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000816975431 784405160 /nfs/dbraw/zinc/40/51/60/784405160.db2.gz HSSLVAQSABPRCY-SSDOTTSWSA-N -1 3 332.154 2.460 20 5 EEBDHM CCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001107458248 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2.171 20 5 EEBDHM Cc1cc(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])co1 ZINC001109422630 805439618 /nfs/dbraw/zinc/43/96/18/805439618.db2.gz ZZHOXVMUAVDZHE-UHFFFAOYSA-N -1 3 334.332 2.171 20 5 EEBDHM CC(C)(C)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001573842373 950140101 /nfs/dbraw/zinc/14/01/01/950140101.db2.gz BIZXAYCZRWYJFH-JTQLQIEISA-N -1 3 334.380 2.374 20 5 EEBDHM CC(C)(C)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001573842373 950140112 /nfs/dbraw/zinc/14/01/12/950140112.db2.gz BIZXAYCZRWYJFH-JTQLQIEISA-N -1 3 334.380 2.374 20 5 EEBDHM C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001575201980 952508868 /nfs/dbraw/zinc/50/88/68/952508868.db2.gz KNGBSRCFBDUKMA-MRVPVSSYSA-N -1 3 345.388 2.462 20 5 EEBDHM C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001575201980 952508873 /nfs/dbraw/zinc/50/88/73/952508873.db2.gz KNGBSRCFBDUKMA-MRVPVSSYSA-N -1 3 345.388 2.462 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000052537022 214132188 /nfs/dbraw/zinc/13/21/88/214132188.db2.gz PXKLJRZOMGQPSQ-LBPRGKRZSA-N -1 3 348.380 2.124 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C2CCOCC2)cc1C ZINC000132969588 223377605 /nfs/dbraw/zinc/37/76/05/223377605.db2.gz YFOQABDWIVAMQT-GFCCVEGCSA-N -1 3 342.417 2.305 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCN(C(C)C)C1 ZINC000274664414 256377832 /nfs/dbraw/zinc/37/78/32/256377832.db2.gz GXQNEKYCZPNDTB-CYBMUJFWSA-N -1 3 341.433 2.054 20 5 EEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cnn1CCC(C)C ZINC000124446349 292289650 /nfs/dbraw/zinc/28/96/50/292289650.db2.gz ZBLDELBYRCHHAR-UHFFFAOYSA-N -1 3 333.348 2.499 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)cc1C ZINC000128786087 292347282 /nfs/dbraw/zinc/34/72/82/292347282.db2.gz DVOZPQVAWLLUTN-LBPRGKRZSA-N -1 3 344.433 2.287 20 5 EEBDHM COc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)ccc1[N+](=O)[O-] ZINC000101636219 159254699 /nfs/dbraw/zinc/25/46/99/159254699.db2.gz KEXVNMIUKXRANF-UHFFFAOYSA-N -1 3 329.272 2.234 20 5 EEBDHM COc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)ccc1[N+](=O)[O-] ZINC000101636219 159254703 /nfs/dbraw/zinc/25/47/03/159254703.db2.gz KEXVNMIUKXRANF-UHFFFAOYSA-N -1 3 329.272 2.234 20 5 EEBDHM COc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1[N+](=O)[O-] ZINC000101636219 159254705 /nfs/dbraw/zinc/25/47/05/159254705.db2.gz KEXVNMIUKXRANF-UHFFFAOYSA-N -1 3 329.272 2.234 20 5 EEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000104367449 159285955 /nfs/dbraw/zinc/28/59/55/159285955.db2.gz HZLZCRWIVFDICH-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000104367449 159285956 /nfs/dbraw/zinc/28/59/56/159285956.db2.gz HZLZCRWIVFDICH-UHFFFAOYSA-N -1 3 328.263 2.166 20 5 EEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119143365 159372288 /nfs/dbraw/zinc/37/22/88/159372288.db2.gz CDBNVXNRKPNFIN-AWEZNQCLSA-N -1 3 344.433 2.287 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H]1CCCO1 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CCOC(=O)c1nnc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]1 ZINC000277977740 269203204 /nfs/dbraw/zinc/20/32/04/269203204.db2.gz LVRDJHCFQCVZDK-UHFFFAOYSA-N -1 3 345.359 2.274 20 5 EEBDHM CCOC(=O)c1nc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[n-]1 ZINC000277977740 269203205 /nfs/dbraw/zinc/20/32/05/269203205.db2.gz LVRDJHCFQCVZDK-UHFFFAOYSA-N -1 3 345.359 2.274 20 5 EEBDHM CCOC(=O)c1n[n-]c(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000277977740 269203206 /nfs/dbraw/zinc/20/32/06/269203206.db2.gz LVRDJHCFQCVZDK-UHFFFAOYSA-N -1 3 345.359 2.274 20 5 EEBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000276919707 274273630 /nfs/dbraw/zinc/27/36/30/274273630.db2.gz YPLVCHVURLMWPX-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000294439998 293454289 /nfs/dbraw/zinc/45/42/89/293454289.db2.gz FIIYOTVDCBAYQB-DOMZBBRYSA-N -1 3 342.417 2.041 20 5 EEBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc([N+](=O)[O-])c1C ZINC000297429369 294241986 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330.287 2.145 20 5 EEBDHM O=C(CCC(F)(F)F)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097167651 1243781169 /nfs/dbraw/zinc/78/11/69/1243781169.db2.gz WTXMDZCWQQMQCV-OCAPTIKFSA-N -1 3 348.281 2.097 20 5 EEBDHM CC(C)n1cccc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101621516 1246051739 /nfs/dbraw/zinc/05/17/39/1246051739.db2.gz XCODDBBNNUGRFC-UHFFFAOYSA-N -1 3 347.375 2.262 20 5 EEBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCN(C(=O)C2=CCCC2)CC1 ZINC001068659293 1251473746 /nfs/dbraw/zinc/47/37/46/1251473746.db2.gz KCVWRIWZQIJXRR-UHFFFAOYSA-N -1 3 346.387 2.233 20 5 EEBDHM CCN(CCNC(=O)C12CCC(CC1)C2)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100767479 1259236552 /nfs/dbraw/zinc/23/65/52/1259236552.db2.gz LRFFKZNPYQXVNY-UHFFFAOYSA-N -1 3 348.403 2.218 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c(F)cc1[N+](=O)[O-] ZINC000867151463 1283878595 /nfs/dbraw/zinc/87/85/95/1283878595.db2.gz IBAKMDAXBDQTNW-SNVBAGLBSA-N -1 3 330.337 2.013 20 5 EEBDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)ccc2O1 ZINC000106006703 1289597134 /nfs/dbraw/zinc/59/71/34/1289597134.db2.gz PGGXMTIPECLMCW-SECBINFHSA-N -1 3 349.368 2.301 20 5 EEBDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853981337 1292567691 /nfs/dbraw/zinc/56/76/91/1292567691.db2.gz HACYIXSPYBIWFB-VIFPVBQESA-N -1 3 326.353 2.363 20 5 EEBDHM Cc1ccc(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC001101857236 1299949531 /nfs/dbraw/zinc/94/95/31/1299949531.db2.gz BVSOYDZDCFYQSA-UHFFFAOYSA-N -1 3 348.334 2.327 20 5 EEBDHM CC1(C)COC(=O)[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499657 1304484919 /nfs/dbraw/zinc/48/49/19/1304484919.db2.gz PFTTZMQMHYGBTH-JTQLQIEISA-N -1 3 325.708 2.455 20 5 EEBDHM COc1cc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)ccn1 ZINC001247999124 1310812442 /nfs/dbraw/zinc/81/24/42/1310812442.db2.gz HNBLRMXIFLBTRC-UHFFFAOYSA-N -1 3 341.283 2.301 20 5 EEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)ccn2)no1 ZINC001248000895 1310812775 /nfs/dbraw/zinc/81/27/75/1310812775.db2.gz AMLYEZRGELEOQX-UHFFFAOYSA-N -1 3 329.247 2.431 20 5 EEBDHM COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC001605318292 1351134969 /nfs/dbraw/zinc/13/49/69/1351134969.db2.gz RIFSRFQVALUBKZ-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC001605318292 1351134972 /nfs/dbraw/zinc/13/49/72/1351134972.db2.gz RIFSRFQVALUBKZ-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001310592831 1331699796 /nfs/dbraw/zinc/69/97/96/1331699796.db2.gz HPSPISVKVFDLLZ-UHFFFAOYSA-N -1 3 339.315 2.343 20 5 EEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001310592831 1331699798 /nfs/dbraw/zinc/69/97/98/1331699798.db2.gz HPSPISVKVFDLLZ-UHFFFAOYSA-N -1 3 339.315 2.343 20 5 EEBDHM CC(C)[C@H]1C[C@@H]1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609091336 1351838755 /nfs/dbraw/zinc/83/87/55/1351838755.db2.gz OBNGZMXOHFZWBY-MNOVXSKESA-N -1 3 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C[C@@H]1c2cccn2CCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603958961 1350814578 /nfs/dbraw/zinc/81/45/78/1350814578.db2.gz TWDMUTZRJFARRM-LLVKDONJSA-N -1 3 339.359 2.153 20 5 EEBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001604795311 1351006743 /nfs/dbraw/zinc/00/67/43/1351006743.db2.gz RUISWQIFHNCYBL-UHFFFAOYSA-N -1 3 342.281 2.302 20 5 EEBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001604795311 1351006748 /nfs/dbraw/zinc/00/67/48/1351006748.db2.gz RUISWQIFHNCYBL-UHFFFAOYSA-N -1 3 342.281 2.302 20 5 EEBDHM CO[C@]1(C)CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605014770 1351054942 /nfs/dbraw/zinc/05/49/42/1351054942.db2.gz AUXKLRYKHVURSY-OAHLLOKOSA-N -1 3 332.364 2.170 20 5 EEBDHM CO[C@]1(C)CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605014770 1351054943 /nfs/dbraw/zinc/05/49/43/1351054943.db2.gz AUXKLRYKHVURSY-OAHLLOKOSA-N -1 3 332.364 2.170 20 5 EEBDHM CO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC001605025238 1351058780 /nfs/dbraw/zinc/05/87/80/1351058780.db2.gz SEYBGXYGVDIQRS-KBPBESRZSA-N -1 3 344.375 2.169 20 5 EEBDHM CO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC001605025238 1351058784 /nfs/dbraw/zinc/05/87/84/1351058784.db2.gz SEYBGXYGVDIQRS-KBPBESRZSA-N -1 3 344.375 2.169 20 5 EEBDHM COCC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCC1 ZINC001605068993 1351071079 /nfs/dbraw/zinc/07/10/79/1351071079.db2.gz ZGMCYMMYJGGMGJ-UHFFFAOYSA-N -1 3 347.379 2.179 20 5 EEBDHM COCC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001605068993 1351071084 /nfs/dbraw/zinc/07/10/84/1351071084.db2.gz ZGMCYMMYJGGMGJ-UHFFFAOYSA-N -1 3 347.379 2.179 20 5 EEBDHM CSC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001605375077 1351147217 /nfs/dbraw/zinc/14/72/17/1351147217.db2.gz DNYPBIMDPRDXRT-SNVBAGLBSA-N -1 3 334.405 2.354 20 5 EEBDHM CSC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001605375077 1351147221 /nfs/dbraw/zinc/14/72/21/1351147221.db2.gz DNYPBIMDPRDXRT-SNVBAGLBSA-N -1 3 334.405 2.354 20 5 EEBDHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001605484065 1351169020 /nfs/dbraw/zinc/16/90/20/1351169020.db2.gz PGCQDJOWOSBDNW-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001605484065 1351169023 /nfs/dbraw/zinc/16/90/23/1351169023.db2.gz PGCQDJOWOSBDNW-UHFFFAOYSA-N -1 3 325.284 2.303 20 5 EEBDHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605629893 1351205701 /nfs/dbraw/zinc/20/57/01/1351205701.db2.gz LJYNYIQYMMLLPU-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605629893 1351205705 /nfs/dbraw/zinc/20/57/05/1351205705.db2.gz LJYNYIQYMMLLPU-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1cc(NCCCCn2ccnc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605734107 1351219520 /nfs/dbraw/zinc/21/95/20/1351219520.db2.gz WHZAWHNRUZCRLE-UHFFFAOYSA-N -1 3 342.363 2.172 20 5 EEBDHM Cc1cc(NCCCCn2ccnc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605734107 1351219521 /nfs/dbraw/zinc/21/95/21/1351219521.db2.gz WHZAWHNRUZCRLE-UHFFFAOYSA-N -1 3 342.363 2.172 20 5 EEBDHM O=Cc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001607056857 1351405429 /nfs/dbraw/zinc/40/54/29/1351405429.db2.gz UDZMWRVFNJIEIW-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=Cc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001607056857 1351405430 /nfs/dbraw/zinc/40/54/30/1351405430.db2.gz UDZMWRVFNJIEIW-UHFFFAOYSA-N -1 3 325.284 2.166 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@@]2(CC2(F)F)C1 ZINC001607077828 1351407894 /nfs/dbraw/zinc/40/78/94/1351407894.db2.gz GFYGZYKERRYULA-GFCCVEGCSA-N -1 3 340.265 2.150 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@@]2(CC2(F)F)C1 ZINC001607077828 1351407897 /nfs/dbraw/zinc/40/78/97/1351407897.db2.gz GFYGZYKERRYULA-GFCCVEGCSA-N -1 3 340.265 2.150 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cc(F)ccc1F ZINC001607080890 1351409522 /nfs/dbraw/zinc/40/95/22/1351409522.db2.gz SYCMJMUIEHQMJU-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cc(F)ccc1F ZINC001607080890 1351409525 /nfs/dbraw/zinc/40/95/25/1351409525.db2.gz SYCMJMUIEHQMJU-UHFFFAOYSA-N -1 3 333.258 2.060 20 5 EEBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC001590523236 1403883712 /nfs/dbraw/zinc/88/37/12/1403883712.db2.gz VVQZNROGKWFMIN-ZYHUDNBSSA-N -1 3 332.364 2.169 20 5 EEBDHM O=C(C[C@@H]1C[C@H]1C1CC1)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592908106 1404727668 /nfs/dbraw/zinc/72/76/68/1404727668.db2.gz XRODCYXDYBSSTP-STQMWFEESA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(C[C@@H]1C[C@H]1C1CC1)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592908106 1404727673 /nfs/dbraw/zinc/72/76/73/1404727673.db2.gz XRODCYXDYBSSTP-STQMWFEESA-N -1 3 343.343 2.254 20 5 EEBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC1CCC1 ZINC001105376359 781072973 /nfs/dbraw/zinc/07/29/73/781072973.db2.gz BEHMXHCGKYEJEG-UHFFFAOYSA-N -1 3 336.392 2.170 20 5 EEBDHM CCc1occc1C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107145022 786086094 /nfs/dbraw/zinc/08/60/94/786086094.db2.gz KLQRLXIAZPQKMS-ARJAWSKDSA-N -1 3 346.343 2.249 20 5 EEBDHM O=C([O-])[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000846269688 790110625 /nfs/dbraw/zinc/11/06/25/790110625.db2.gz BFUQWOBZVQSRPZ-IRXDYDNUSA-N -1 3 342.351 2.312 20 5 EEBDHM CN(CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001113409714 808926412 /nfs/dbraw/zinc/92/64/12/808926412.db2.gz XKCPWCCTQVSQDF-UHFFFAOYSA-N -1 3 348.359 2.499 20 5 EEBDHM CN(CC1CCCC1)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001526468018 1120525097 /nfs/dbraw/zinc/52/50/97/1120525097.db2.gz IULNDGUHAKJIPT-UHFFFAOYSA-N -1 3 332.364 2.117 20 5 EEBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000053671591 214193376 /nfs/dbraw/zinc/19/33/76/214193376.db2.gz BNAYQDBOEUNUCU-UHFFFAOYSA-N -1 3 342.323 2.394 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000055215252 214290109 /nfs/dbraw/zinc/29/01/09/214290109.db2.gz AIGWCEDROHLJFA-SECBINFHSA-N -1 3 325.321 2.168 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000193744642 240292127 /nfs/dbraw/zinc/29/21/27/240292127.db2.gz XFFAOGRNHIKWCD-SSDOTTSWSA-N -1 3 349.206 2.434 20 5 EEBDHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451590181 243169136 /nfs/dbraw/zinc/16/91/36/243169136.db2.gz YBKBFEUXDQIRHP-NSHDSACASA-N -1 3 338.389 2.412 20 5 EEBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC ZINC000451805283 243270698 /nfs/dbraw/zinc/27/06/98/243270698.db2.gz XOUPFPNQPFJLPU-LBPRGKRZSA-N -1 3 336.797 2.342 20 5 EEBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000266236877 248193077 /nfs/dbraw/zinc/19/30/77/248193077.db2.gz VIVZLYRUWCCVCO-UHFFFAOYSA-N -1 3 345.377 2.286 20 5 EEBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120228327 292252264 /nfs/dbraw/zinc/25/22/64/292252264.db2.gz LMMRWERYUDLWSV-UHFFFAOYSA-N -1 3 348.396 2.344 20 5 EEBDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121003716 159398448 /nfs/dbraw/zinc/39/84/48/159398448.db2.gz FBRQBTDAQOVTML-OCCSQVGLSA-N -1 3 342.417 2.448 20 5 EEBDHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188330680 160121720 /nfs/dbraw/zinc/12/17/20/160121720.db2.gz BWWFVYKBBPESIU-UHFFFAOYSA-N -1 3 325.284 2.338 20 5 EEBDHM CCCCOCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189905815 160151704 /nfs/dbraw/zinc/15/17/04/160151704.db2.gz SPEAIMIMWQWTPC-UHFFFAOYSA-N -1 3 330.406 2.307 20 5 EEBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190033734 160153871 /nfs/dbraw/zinc/15/38/71/160153871.db2.gz IYOPDIXMFTYLTR-CYBMUJFWSA-N -1 3 344.433 2.289 20 5 EEBDHM Cc1ncc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)[n-]1 ZINC000344321382 161217152 /nfs/dbraw/zinc/21/71/52/161217152.db2.gz FSJVIRGGJMMUIJ-UHFFFAOYSA-N -1 3 340.286 2.290 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000360138851 164241775 /nfs/dbraw/zinc/24/17/75/164241775.db2.gz ICFSOLXROPENAD-LLVKDONJSA-N -1 3 336.435 2.039 20 5 EEBDHM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)C2=CCCCC2)c1 ZINC000280683242 269385029 /nfs/dbraw/zinc/38/50/29/269385029.db2.gz AWQDDWFTBNMLAJ-UHFFFAOYSA-N -1 3 341.389 2.199 20 5 EEBDHM O=c1[n-]nc(S/C=C/c2ccc([N+](=O)[O-])o2)n1C[C@H]1CCCO1 ZINC000283807863 269555702 /nfs/dbraw/zinc/55/57/02/269555702.db2.gz IPDDPWLMYITDKC-BREXMAIKSA-N -1 3 338.345 2.015 20 5 EEBDHM Cn1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2c1cccc2Cl ZINC000183837907 274017745 /nfs/dbraw/zinc/01/77/45/274017745.db2.gz MHQZGYODZRRJQN-UHFFFAOYSA-N -1 3 347.718 2.488 20 5 EEBDHM CCOC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000292746713 275473771 /nfs/dbraw/zinc/47/37/71/275473771.db2.gz HUMYGDVYMYZTEQ-UHFFFAOYSA-N -1 3 328.390 2.222 20 5 EEBDHM CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339203811 278070247 /nfs/dbraw/zinc/07/02/47/278070247.db2.gz KLLJUNMPZWJPAA-VBNZEHGJSA-N -1 3 333.388 2.037 20 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/nfs/dbraw/zinc/03/76/39/320037639.db2.gz VSIRGXWLORGZMH-UHFFFAOYSA-N -1 3 340.332 2.221 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c1[N+](=O)[O-] ZINC000190066615 533706697 /nfs/dbraw/zinc/70/66/97/533706697.db2.gz HOCQZZCSAOTKDC-CQSZACIVSA-N -1 3 328.390 2.059 20 5 EEBDHM O=C([O-])c1cnn(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000568073858 468269527 /nfs/dbraw/zinc/26/95/27/468269527.db2.gz OOFHGJMMJIDUJV-UHFFFAOYSA-N -1 3 344.371 2.369 20 5 EEBDHM Cc1ccn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)n1 ZINC000358409556 465105287 /nfs/dbraw/zinc/10/52/87/465105287.db2.gz MAGUSOHWKGQMNQ-UHFFFAOYSA-N -1 3 339.311 2.442 20 5 EEBDHM CCCCOCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046034196 462638763 /nfs/dbraw/zinc/63/87/63/462638763.db2.gz VGPQUSPOAPFIET-UHFFFAOYSA-N -1 3 330.406 2.388 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157766086 463166975 /nfs/dbraw/zinc/16/69/75/463166975.db2.gz ZYCMCCITFRMQFC-AAEUAGOBSA-N -1 3 328.390 2.139 20 5 EEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157867785 463179596 /nfs/dbraw/zinc/17/95/96/463179596.db2.gz RHWWFUGTIYLTCT-JQWIXIFHSA-N -1 3 348.808 2.484 20 5 EEBDHM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031033741 463321170 /nfs/dbraw/zinc/32/11/70/463321170.db2.gz WTGGYEUZUPKSOZ-UHFFFAOYSA-N -1 3 343.217 2.434 20 5 EEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000080615726 463338870 /nfs/dbraw/zinc/33/88/70/463338870.db2.gz SSOCKKKKUWLVTA-LLVKDONJSA-N -1 3 336.797 2.198 20 5 EEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000125445420 463545155 /nfs/dbraw/zinc/54/51/55/463545155.db2.gz KWINKPJJBIZGCC-UHFFFAOYSA-N -1 3 329.238 2.303 20 5 EEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000125445420 463545160 /nfs/dbraw/zinc/54/51/60/463545160.db2.gz KWINKPJJBIZGCC-UHFFFAOYSA-N -1 3 329.238 2.303 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000152274329 463669785 /nfs/dbraw/zinc/66/97/85/463669785.db2.gz KVZKYWBWVKYOIH-VIFPVBQESA-N -1 3 336.822 2.422 20 5 EEBDHM CN(C)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc1 ZINC000194517837 463877494 /nfs/dbraw/zinc/87/74/94/463877494.db2.gz ZRDAJIKWNCCUOC-UHFFFAOYSA-N -1 3 326.316 2.184 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2O)c1[N+](=O)[O-] ZINC000287372822 463882391 /nfs/dbraw/zinc/88/23/91/463882391.db2.gz IXQRXFAKWJKLNO-CHWSQXEVSA-N -1 3 342.417 2.184 20 5 EEBDHM Cc1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C ZINC000173225411 464214226 /nfs/dbraw/zinc/21/42/26/464214226.db2.gz QBBRNLULXDVMNN-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM O=[N+]([O-])c1cc2c(ncnc2NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000343011325 465453074 /nfs/dbraw/zinc/45/30/74/465453074.db2.gz DQPMYNITQAGPHU-UHFFFAOYSA-N -1 3 345.266 2.349 20 5 EEBDHM O=[N+]([O-])c1cc2c(ncnc2NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000343011325 465453080 /nfs/dbraw/zinc/45/30/80/465453080.db2.gz DQPMYNITQAGPHU-UHFFFAOYSA-N -1 3 345.266 2.349 20 5 EEBDHM O=[N+]([O-])c1cc2c(ncnc2NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000343011325 465453086 /nfs/dbraw/zinc/45/30/86/465453086.db2.gz DQPMYNITQAGPHU-UHFFFAOYSA-N -1 3 345.266 2.349 20 5 EEBDHM Cc1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000173685615 464307378 /nfs/dbraw/zinc/30/73/78/464307378.db2.gz RXEYRYWXUAFUAH-GFCCVEGCSA-N -1 3 342.355 2.330 20 5 EEBDHM Cc1nnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)o1 ZINC000174337348 464395222 /nfs/dbraw/zinc/39/52/22/464395222.db2.gz VNTCOFBQMYKYPM-UHFFFAOYSA-N -1 3 341.283 2.306 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c1C ZINC000188931147 464397978 /nfs/dbraw/zinc/39/79/78/464397978.db2.gz KZRAIBNVKGFPOW-OLZOCXBDSA-N -1 3 342.417 2.041 20 5 EEBDHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272138498 464493651 /nfs/dbraw/zinc/49/36/51/464493651.db2.gz ZCFBOYCQYHXUGF-NSHDSACASA-N -1 3 330.287 2.000 20 5 EEBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184556261 464995778 /nfs/dbraw/zinc/99/57/78/464995778.db2.gz ZFEHSKMEEQRLMK-UHFFFAOYSA-N -1 3 344.433 2.346 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C(F)(F)F ZINC000356711740 465501647 /nfs/dbraw/zinc/50/16/47/465501647.db2.gz VBMDDNYITKQVOJ-QMMMGPOBSA-N -1 3 326.296 2.380 20 5 EEBDHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(OC)OC ZINC000299057628 465580573 /nfs/dbraw/zinc/58/05/73/465580573.db2.gz TVCLOUSJRWWNLP-NSHDSACASA-N -1 3 332.303 2.200 20 5 EEBDHM CC(C)(C)c1nc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n[nH]1 ZINC000413419136 467238744 /nfs/dbraw/zinc/23/87/44/467238744.db2.gz SCJMHLPMABKRAD-UHFFFAOYSA-N -1 3 343.347 2.673 20 5 EEBDHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C)C1 ZINC000436792132 467554532 /nfs/dbraw/zinc/55/45/32/467554532.db2.gz MIWCJEVDHVNRBW-YWPYICTPSA-N -1 3 333.388 2.103 20 5 EEBDHM Cc1nn(C)cc1[C@H](C)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443439150 467579818 /nfs/dbraw/zinc/57/98/18/467579818.db2.gz GQJZAEHJXXNXJR-VIFPVBQESA-N -1 3 328.332 2.860 20 5 EEBDHM COc1cc(CNc2cccc(N(C)C(N)=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000487177961 468026627 /nfs/dbraw/zinc/02/66/27/468026627.db2.gz FGIAYERKXJOZOO-UHFFFAOYSA-N -1 3 346.343 2.436 20 5 EEBDHM C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1C1CC1 ZINC000518773875 468126506 /nfs/dbraw/zinc/12/65/06/468126506.db2.gz NUGBSZXYGJWUGX-WPRPVWTQSA-N -1 3 339.779 2.309 20 5 EEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000567977907 468248387 /nfs/dbraw/zinc/24/83/87/468248387.db2.gz QCBSHHNKUOGESK-UHIISALHSA-N -1 3 348.403 2.163 20 5 EEBDHM CCCc1[nH]nc(C(=O)[N-]c2ccc(C(=O)OC)s2)c1[N+](=O)[O-] ZINC000590536454 468268569 /nfs/dbraw/zinc/26/85/69/468268569.db2.gz SQOIKNDLGNHYCB-UHFFFAOYSA-N -1 3 338.345 2.371 20 5 EEBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601387570 468854010 /nfs/dbraw/zinc/85/40/10/468854010.db2.gz YXBFNURNWWFIBD-GWCFXTLKSA-N -1 3 346.380 2.136 20 5 EEBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1cc(C)c([N+](=O)[O-])cn1 ZINC000599089215 469114923 /nfs/dbraw/zinc/11/49/23/469114923.db2.gz COJASHCKQJEXLJ-UHFFFAOYSA-N -1 3 332.360 2.226 20 5 EEBDHM CN(C(=O)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccccc1 ZINC000596215355 469207848 /nfs/dbraw/zinc/20/78/48/469207848.db2.gz BPWIMEVQLYBGDV-LBPRGKRZSA-N -1 3 342.355 2.185 20 5 EEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccnc2C)cc1C ZINC000599445855 469261004 /nfs/dbraw/zinc/26/10/04/469261004.db2.gz VUXHCSHADKFVCB-UHFFFAOYSA-N -1 3 335.385 2.394 20 5 EEBDHM CCOC(=O)c1ncc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000619447387 469610351 /nfs/dbraw/zinc/61/03/51/469610351.db2.gz XKMPPEMKKQAZDA-SECBINFHSA-N -1 3 332.316 2.237 20 5 EEBDHM CCOC(=O)c1nc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c[n-]1 ZINC000619447387 469610358 /nfs/dbraw/zinc/61/03/58/469610358.db2.gz XKMPPEMKKQAZDA-SECBINFHSA-N -1 3 332.316 2.237 20 5 EEBDHM Cn1nc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C1CC1 ZINC000291114994 490726968 /nfs/dbraw/zinc/72/69/68/490726968.db2.gz LUWBDDNAURPIRJ-UHFFFAOYSA-N -1 3 336.373 2.353 20 5 EEBDHM Cc1csc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000175069251 534817252 /nfs/dbraw/zinc/81/72/52/534817252.db2.gz TZGQRLGGNJBDOS-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368968 578011180 /nfs/dbraw/zinc/01/11/80/578011180.db2.gz GSEMTFRXPZIUBF-AWEZNQCLSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(NC[C@H](O)C2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368968 578011181 /nfs/dbraw/zinc/01/11/81/578011181.db2.gz GSEMTFRXPZIUBF-AWEZNQCLSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H](CCO)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738371593 578011356 /nfs/dbraw/zinc/01/13/56/578011356.db2.gz TVHPULDNWXJCCO-CQSZACIVSA-N -1 3 340.343 2.311 20 5 EEBDHM O=[N+]([O-])c1ccc(N[C@H](CCO)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738371593 578011357 /nfs/dbraw/zinc/01/13/57/578011357.db2.gz TVHPULDNWXJCCO-CQSZACIVSA-N -1 3 340.343 2.311 20 5 EEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775906600 577448434 /nfs/dbraw/zinc/44/84/34/577448434.db2.gz ASXFCAQXWNTYGB-UHFFFAOYSA-N -1 3 349.656 2.315 20 5 EEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775906600 577448435 /nfs/dbraw/zinc/44/84/35/577448435.db2.gz ASXFCAQXWNTYGB-UHFFFAOYSA-N -1 3 349.656 2.315 20 5 EEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775906600 577448436 /nfs/dbraw/zinc/44/84/36/577448436.db2.gz ASXFCAQXWNTYGB-UHFFFAOYSA-N -1 3 349.656 2.315 20 5 EEBDHM CC1(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000765197698 577496989 /nfs/dbraw/zinc/49/69/89/577496989.db2.gz PNMHDMWWAHSUQE-UHFFFAOYSA-N -1 3 349.206 2.436 20 5 EEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc([O-])c1F ZINC000762316242 577699184 /nfs/dbraw/zinc/69/91/84/577699184.db2.gz AMWHLVSLIOIGAQ-UHFFFAOYSA-N -1 3 330.275 2.428 20 5 EEBDHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2cccc(C)c2[N+](=O)[O-])on1 ZINC000741823310 578124923 /nfs/dbraw/zinc/12/49/23/578124923.db2.gz QIRVWCGMLGIAKA-SNVBAGLBSA-N -1 3 333.300 2.384 20 5 EEBDHM CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000736609192 578214705 /nfs/dbraw/zinc/21/47/05/578214705.db2.gz DQXSHAYNUJXVOY-KBPBESRZSA-N -1 3 346.391 2.415 20 5 EEBDHM CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000736609192 578214706 /nfs/dbraw/zinc/21/47/06/578214706.db2.gz DQXSHAYNUJXVOY-KBPBESRZSA-N -1 3 346.391 2.415 20 5 EEBDHM CSCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962813 599564392 /nfs/dbraw/zinc/56/43/92/599564392.db2.gz XDOMOHSRMUFBKX-UHFFFAOYSA-N -1 3 345.388 2.488 20 5 EEBDHM CSCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962813 599564394 /nfs/dbraw/zinc/56/43/94/599564394.db2.gz XDOMOHSRMUFBKX-UHFFFAOYSA-N -1 3 345.388 2.488 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000823651191 607384449 /nfs/dbraw/zinc/38/44/49/607384449.db2.gz IDFFCHWZQVBCMN-VHDGCEQUSA-N -1 3 349.354 2.310 20 5 EEBDHM O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000823651191 607384450 /nfs/dbraw/zinc/38/44/50/607384450.db2.gz IDFFCHWZQVBCMN-VHDGCEQUSA-N -1 3 349.354 2.310 20 5 EEBDHM CCN(Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821230695 606592343 /nfs/dbraw/zinc/59/23/43/606592343.db2.gz NXDZCTVINLQMSS-UHFFFAOYSA-N -1 3 325.332 2.196 20 5 EEBDHM CCN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821230695 606592345 /nfs/dbraw/zinc/59/23/45/606592345.db2.gz NXDZCTVINLQMSS-UHFFFAOYSA-N -1 3 325.332 2.196 20 5 EEBDHM O=[N+]([O-])c1cc(NC[C@H](O)c2ccccc2F)ccc1-c1nnn[n-]1 ZINC000823634486 606645067 /nfs/dbraw/zinc/64/50/67/606645067.db2.gz HRRYOBDLCRGTTD-AWEZNQCLSA-N -1 3 344.306 2.060 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823418371 606891233 /nfs/dbraw/zinc/89/12/33/606891233.db2.gz QGEOWFOQODEJBK-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823418371 606891234 /nfs/dbraw/zinc/89/12/34/606891234.db2.gz QGEOWFOQODEJBK-UHFFFAOYSA-N -1 3 343.274 2.271 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235985 607045622 /nfs/dbraw/zinc/04/56/22/607045622.db2.gz WCOOCVYSKLBWNA-TVQRCGJNSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235985 607045624 /nfs/dbraw/zinc/04/56/24/607045624.db2.gz WCOOCVYSKLBWNA-TVQRCGJNSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235983 607045655 /nfs/dbraw/zinc/04/56/55/607045655.db2.gz WCOOCVYSKLBWNA-NOZJJQNGSA-N -1 3 344.331 2.292 20 5 EEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235983 607045656 /nfs/dbraw/zinc/04/56/56/607045656.db2.gz WCOOCVYSKLBWNA-NOZJJQNGSA-N -1 3 344.331 2.292 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000826499865 607943527 /nfs/dbraw/zinc/94/35/27/607943527.db2.gz BMOQZCXSTJAPKX-UHFFFAOYSA-N -1 3 336.355 2.333 20 5 EEBDHM COc1cc(CNc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000826179212 608865790 /nfs/dbraw/zinc/86/57/90/608865790.db2.gz DTOSPLMDMZWIMS-UHFFFAOYSA-N -1 3 342.315 2.101 20 5 EEBDHM Cc1cc(C)c(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)[nH]1 ZINC001059458476 685417146 /nfs/dbraw/zinc/41/71/46/685417146.db2.gz KMZACPIGLJHPPW-XYPYZODXSA-N -1 3 345.359 2.013 20 5 EEBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC001107016546 1192663581 /nfs/dbraw/zinc/66/35/81/1192663581.db2.gz WTTOJJSNXKKBLP-UPHRSURJSA-N -1 3 334.357 2.155 20 5 EEBDHM CN(C(=O)c1ccccc1[O-])C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001042487048 1232085881 /nfs/dbraw/zinc/08/58/81/1232085881.db2.gz KHPWFTUBCIGPMA-UHFFFAOYSA-N -1 3 347.396 2.318 20 5 EEBDHM O=C(NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC001095992989 1233162453 /nfs/dbraw/zinc/16/24/53/1233162453.db2.gz ZCLIHAZJJCNITR-UHFFFAOYSA-N -1 3 348.403 2.361 20 5 EEBDHM CC1(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCCCC1 ZINC001055999853 1238576443 /nfs/dbraw/zinc/57/64/43/1238576443.db2.gz OXPCRWJALFMLHL-UHFFFAOYSA-N -1 3 348.403 2.314 20 5 EEBDHM CCCN(CCNC(=O)C1=CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101122175 1245426178 /nfs/dbraw/zinc/42/61/78/1245426178.db2.gz SEKYBVVKTRMSRQ-UHFFFAOYSA-N -1 3 334.376 2.138 20 5 EEBDHM CC1(C)C(C(=O)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1(C)C ZINC001055759084 1250768535 /nfs/dbraw/zinc/76/85/35/1250768535.db2.gz FKIWLFWYDSFBQS-UHFFFAOYSA-N -1 3 348.403 2.026 20 5 EEBDHM COc1cc(O[C@@H](C)CON)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227641395 1301920072 /nfs/dbraw/zinc/92/00/72/1301920072.db2.gz NELOYBCZISADSH-QMMMGPOBSA-N -1 3 347.323 2.024 20 5 EEBDHM CCCSc1nc(O[C@H]2CCCN(C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229792964 1302946355 /nfs/dbraw/zinc/94/63/55/1302946355.db2.gz VMHOZSKLUQLBBQ-VIFPVBQESA-N -1 3 328.394 2.066 20 5 EEBDHM Cc1cc[nH]c1C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111803888 1303909858 /nfs/dbraw/zinc/90/98/58/1303909858.db2.gz VLJWKYFNPUJORA-UHFFFAOYSA-N -1 3 345.359 2.097 20 5 EEBDHM NC(=O)c1ccnc([N-][C@@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001164180417 1321311320 /nfs/dbraw/zinc/31/13/20/1321311320.db2.gz NBODBKHFDZNOIB-JTQLQIEISA-N -1 3 341.249 2.199 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001164383232 1321368206 /nfs/dbraw/zinc/36/82/06/1321368206.db2.gz TYHWEJIZCDDPKS-MRVPVSSYSA-N -1 3 346.265 2.417 20 5 EEBDHM O=C([O-])[C@H](C[C@@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001608531283 1351710835 /nfs/dbraw/zinc/71/08/35/1351710835.db2.gz FCVPYSMTLNQJSC-AAEUAGOBSA-N -1 3 328.752 2.360 20 5 EEBDHM Cc1noc(C)c1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606130243 1351276515 /nfs/dbraw/zinc/27/65/15/1351276515.db2.gz QCXXWAOMFYGENQ-UHFFFAOYSA-N -1 3 329.320 2.034 20 5 EEBDHM Cc1noc(C)c1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606130243 1351276520 /nfs/dbraw/zinc/27/65/20/1351276520.db2.gz QCXXWAOMFYGENQ-UHFFFAOYSA-N -1 3 329.320 2.034 20 5 EEBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)CCc1c(C)nc[n-]c1=O ZINC001325052656 1333819276 /nfs/dbraw/zinc/81/92/76/1333819276.db2.gz XAOMCSUCDKWJJA-UHFFFAOYSA-N -1 3 347.327 2.083 20 5 EEBDHM CCC[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OCC ZINC001609205293 1351890705 /nfs/dbraw/zinc/89/07/05/1351890705.db2.gz GTRDNIJVTQYJJI-JTQLQIEISA-N -1 3 348.363 2.166 20 5 EEBDHM CCC[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OCC ZINC001609205293 1351890706 /nfs/dbraw/zinc/89/07/06/1351890706.db2.gz GTRDNIJVTQYJJI-JTQLQIEISA-N -1 3 348.363 2.166 20 5 EEBDHM CN(CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001609276092 1351918566 /nfs/dbraw/zinc/91/85/66/1351918566.db2.gz HYILVJKOVHPWJB-UHFFFAOYSA-N -1 3 339.359 2.323 20 5 EEBDHM CN(CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001609276092 1351918568 /nfs/dbraw/zinc/91/85/68/1351918568.db2.gz HYILVJKOVHPWJB-UHFFFAOYSA-N -1 3 339.359 2.323 20 5 EEBDHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001609355072 1351944295 /nfs/dbraw/zinc/94/42/95/1351944295.db2.gz DIIHNBHHXBYIFQ-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001609355072 1351944297 /nfs/dbraw/zinc/94/42/97/1351944297.db2.gz DIIHNBHHXBYIFQ-UHFFFAOYSA-N -1 3 340.343 2.420 20 5 EEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])s1 ZINC001609575725 1352022777 /nfs/dbraw/zinc/02/27/77/1352022777.db2.gz FTHNBRHFAYYMIG-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])s1 ZINC001609575725 1352022784 /nfs/dbraw/zinc/02/27/84/1352022784.db2.gz FTHNBRHFAYYMIG-UHFFFAOYSA-N -1 3 331.313 2.193 20 5 EEBDHM CCN(CCNC(=O)CC1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100431361 1338369503 /nfs/dbraw/zinc/36/95/03/1338369503.db2.gz TZYTVMGVIHBXIK-UHFFFAOYSA-N -1 3 336.392 2.218 20 5 EEBDHM CCOc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001578404552 1344273817 /nfs/dbraw/zinc/27/38/17/1344273817.db2.gz ZCUZUDQKDFFHDK-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM CCOc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001578404552 1344273821 /nfs/dbraw/zinc/27/38/21/1344273821.db2.gz ZCUZUDQKDFFHDK-UHFFFAOYSA-N -1 3 341.331 2.181 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC(C(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC001582804345 1344793131 /nfs/dbraw/zinc/79/31/31/1344793131.db2.gz QXMUPEOQWOWITB-UHFFFAOYSA-N -1 3 347.285 2.024 20 5 EEBDHM O=[N+]([O-])c1ccc2nc(N3CC(C(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC001582804345 1344793133 /nfs/dbraw/zinc/79/31/33/1344793133.db2.gz QXMUPEOQWOWITB-UHFFFAOYSA-N -1 3 347.285 2.024 20 5 EEBDHM CC(C)c1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589777519 1349038049 /nfs/dbraw/zinc/03/80/49/1349038049.db2.gz DCJBKUKVENNLSH-UHFFFAOYSA-N -1 3 328.336 2.375 20 5 EEBDHM CC(C)c1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589777519 1349038054 /nfs/dbraw/zinc/03/80/54/1349038054.db2.gz DCJBKUKVENNLSH-UHFFFAOYSA-N -1 3 328.336 2.375 20 5 EEBDHM C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1nccs1 ZINC001589876292 1349053462 /nfs/dbraw/zinc/05/34/62/1349053462.db2.gz UDCWLIYUPXRYBM-QMMMGPOBSA-N -1 3 331.361 2.447 20 5 EEBDHM C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1nccs1 ZINC001589876292 1349053466 /nfs/dbraw/zinc/05/34/66/1349053466.db2.gz UDCWLIYUPXRYBM-QMMMGPOBSA-N -1 3 331.361 2.447 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001592199397 1349607029 /nfs/dbraw/zinc/60/70/29/1349607029.db2.gz YNNRJSBEPCDTEV-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001592199397 1349607035 /nfs/dbraw/zinc/60/70/35/1349607035.db2.gz YNNRJSBEPCDTEV-UHFFFAOYSA-N -1 3 339.315 2.039 20 5 EEBDHM Cc1cnc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001592295548 1349617067 /nfs/dbraw/zinc/61/70/67/1349617067.db2.gz IJTNSPCHLDQYOF-UHFFFAOYSA-N -1 3 339.359 2.157 20 5 EEBDHM Cc1cnc(N(C)CCc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001592295548 1349617070 /nfs/dbraw/zinc/61/70/70/1349617070.db2.gz IJTNSPCHLDQYOF-UHFFFAOYSA-N -1 3 339.359 2.157 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001592757850 1349713700 /nfs/dbraw/zinc/71/37/00/1349713700.db2.gz PACCLDWPLNIOBG-ZJUUUORDSA-N -1 3 329.364 2.205 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001592757850 1349713706 /nfs/dbraw/zinc/71/37/06/1349713706.db2.gz PACCLDWPLNIOBG-ZJUUUORDSA-N -1 3 329.364 2.205 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001593291260 1349766809 /nfs/dbraw/zinc/76/68/09/1349766809.db2.gz GLTBKDJJEPMMBM-MSRIBSCDSA-N -1 3 343.343 2.254 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001593291260 1349766812 /nfs/dbraw/zinc/76/68/12/1349766812.db2.gz GLTBKDJJEPMMBM-MSRIBSCDSA-N -1 3 343.343 2.254 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@]2(CCSC2)C1 ZINC001593468213 1349805025 /nfs/dbraw/zinc/80/50/25/1349805025.db2.gz KZVNORFTRCNJTH-OAHLLOKOSA-N -1 3 346.416 2.498 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@]2(CCSC2)C1 ZINC001593468213 1349805030 /nfs/dbraw/zinc/80/50/30/1349805030.db2.gz KZVNORFTRCNJTH-OAHLLOKOSA-N -1 3 346.416 2.498 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@]12C[C@H]1COC21CCC1 ZINC001593472214 1349807405 /nfs/dbraw/zinc/80/74/05/1349807405.db2.gz ZTQBHPJZZWATCM-XHDPSFHLSA-N -1 3 342.359 2.146 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@]12C[C@H]1COC21CCC1 ZINC001593472214 1349807406 /nfs/dbraw/zinc/80/74/06/1349807406.db2.gz ZTQBHPJZZWATCM-XHDPSFHLSA-N -1 3 342.359 2.146 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2nc3ncccc3cc2-c2nnn[n-]2)c1 ZINC001593483966 1349814067 /nfs/dbraw/zinc/81/40/67/1349814067.db2.gz MUMDUQWKIQPTAY-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc(CNc2nc3ncccc3cc2-c2nn[n-]n2)c1 ZINC001593483966 1349814070 /nfs/dbraw/zinc/81/40/70/1349814070.db2.gz MUMDUQWKIQPTAY-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC001593485761 1349815570 /nfs/dbraw/zinc/81/55/70/1349815570.db2.gz XSXHXORRKXDDLB-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC001593485761 1349815575 /nfs/dbraw/zinc/81/55/75/1349815575.db2.gz XSXHXORRKXDDLB-UHFFFAOYSA-N -1 3 345.750 2.478 20 5 EEBDHM C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001603643268 1350732938 /nfs/dbraw/zinc/73/29/38/1350732938.db2.gz BWZLJGRMFVRPPR-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603643268 1350732939 /nfs/dbraw/zinc/73/29/39/1350732939.db2.gz BWZLJGRMFVRPPR-SNVBAGLBSA-N -1 3 338.327 2.266 20 5 EEBDHM CC1(C)[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC001603757421 1350759291 /nfs/dbraw/zinc/75/92/91/1350759291.db2.gz NXQKFQUQEXXYJI-UHTWSYAYSA-N -1 3 330.348 2.000 20 5 EEBDHM CC1(C)CO[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603792043 1350768602 /nfs/dbraw/zinc/76/86/02/1350768602.db2.gz XWWFWIQGMSGGAC-MRVPVSSYSA-N -1 3 336.327 2.141 20 5 EEBDHM CC1(C)CO[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603792043 1350768604 /nfs/dbraw/zinc/76/86/04/1350768604.db2.gz XWWFWIQGMSGGAC-MRVPVSSYSA-N -1 3 336.327 2.141 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCCS1 ZINC001603806343 1350772901 /nfs/dbraw/zinc/77/29/01/1350772901.db2.gz HOYXSCIJPIEHDY-CYBMUJFWSA-N -1 3 335.393 2.055 20 5 EEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCCS1 ZINC001603806343 1350772904 /nfs/dbraw/zinc/77/29/04/1350772904.db2.gz HOYXSCIJPIEHDY-CYBMUJFWSA-N -1 3 335.393 2.055 20 5 EEBDHM Cc1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])no1 ZINC001605652579 1351210867 /nfs/dbraw/zinc/21/08/67/1351210867.db2.gz MKDHEGDNRSNTRA-GFCCVEGCSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])no1 ZINC001605652579 1351210869 /nfs/dbraw/zinc/21/08/69/1351210869.db2.gz MKDHEGDNRSNTRA-GFCCVEGCSA-N -1 3 341.331 2.413 20 5 EEBDHM Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605732075 1351219953 /nfs/dbraw/zinc/21/99/53/1351219953.db2.gz NMCZTGLVYYKUKH-WDEREUQCSA-N -1 3 332.364 2.310 20 5 EEBDHM Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605732075 1351219958 /nfs/dbraw/zinc/21/99/58/1351219958.db2.gz NMCZTGLVYYKUKH-WDEREUQCSA-N -1 3 332.364 2.310 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccc2n[nH]cc2c1 ZINC001607078642 1351407857 /nfs/dbraw/zinc/40/78/57/1351407857.db2.gz KGKDKTSOMGUMKL-UHFFFAOYSA-N -1 3 340.328 2.197 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccc2n[nH]cc2c1 ZINC001607078642 1351407859 /nfs/dbraw/zinc/40/78/59/1351407859.db2.gz KGKDKTSOMGUMKL-UHFFFAOYSA-N -1 3 340.328 2.197 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591689005 1403938102 /nfs/dbraw/zinc/93/81/02/1403938102.db2.gz AOHCFMLJRRJKQP-SECBINFHSA-N -1 3 349.420 2.079 20 5 EEBDHM CS[C@@H]1CCCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591689005 1403938107 /nfs/dbraw/zinc/93/81/07/1403938107.db2.gz AOHCFMLJRRJKQP-SECBINFHSA-N -1 3 349.420 2.079 20 5 EEBDHM Cc1c(NC(=O)c2cscc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591828994 1403954785 /nfs/dbraw/zinc/95/47/85/1403954785.db2.gz NXADVTVNGZZHDI-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cc1c(NC(=O)c2cscc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591828994 1403954789 /nfs/dbraw/zinc/95/47/89/1403954789.db2.gz NXADVTVNGZZHDI-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM O=C(C=C1CCCC1)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592792513 1404722792 /nfs/dbraw/zinc/72/27/92/1404722792.db2.gz YHDPJTYQIRPMLN-UHFFFAOYSA-N -1 3 329.316 2.319 20 5 EEBDHM O=C(C=C1CCCC1)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592792513 1404722797 /nfs/dbraw/zinc/72/27/97/1404722797.db2.gz YHDPJTYQIRPMLN-UHFFFAOYSA-N -1 3 329.316 2.319 20 5 EEBDHM 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346.387 2.089 20 5 EEBDHM CSCCO[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861471015 1295415433 /nfs/dbraw/zinc/41/54/33/1295415433.db2.gz PWZDUULNKINSCU-UHFFFAOYSA-N -1 3 335.179 2.382 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001213768156 1296165077 /nfs/dbraw/zinc/16/50/77/1296165077.db2.gz LGAJEZNYYFIWBK-ZIYJGFGOSA-N -1 3 328.365 2.365 20 5 EEBDHM O=c1[nH][n-]cc1CCCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001156280043 1317948715 /nfs/dbraw/zinc/94/87/15/1317948715.db2.gz YFUALDSCWFVJAS-ZCFIWIBFSA-N -1 3 332.147 2.221 20 5 EEBDHM COc1ccc(Cc2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)o2)cc1 ZINC001254784148 1318188030 /nfs/dbraw/zinc/18/80/30/1318188030.db2.gz LVCNRNIBFHHPPG-UHFFFAOYSA-N -1 3 328.284 2.345 20 5 EEBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)F ZINC001603330202 1350688427 /nfs/dbraw/zinc/68/84/27/1350688427.db2.gz LCJSUAUSOZFVBF-UHFFFAOYSA-N -1 3 326.307 2.250 20 5 EEBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)F ZINC001603330202 1350688435 /nfs/dbraw/zinc/68/84/35/1350688435.db2.gz LCJSUAUSOZFVBF-UHFFFAOYSA-N -1 3 326.307 2.250 20 5 EEBDHM CC(C)c1nnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[nH]1 ZINC001609106468 1351845547 /nfs/dbraw/zinc/84/55/47/1351845547.db2.gz ZHPCUMBFOGXAIZ-MRVPVSSYSA-N -1 3 343.351 2.190 20 5 EEBDHM Cc1cccnc1CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609410660 1351965582 /nfs/dbraw/zinc/96/55/82/1351965582.db2.gz QTYHYGXQMMNVET-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1cccnc1CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609410660 1351965585 /nfs/dbraw/zinc/96/55/85/1351965585.db2.gz QTYHYGXQMMNVET-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1cccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001609431350 1351974198 /nfs/dbraw/zinc/97/41/98/1351974198.db2.gz BHJXPMTXLNMWQF-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM Cc1cccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001609431350 1351974201 /nfs/dbraw/zinc/97/42/01/1351974201.db2.gz BHJXPMTXLNMWQF-UHFFFAOYSA-N -1 3 339.359 2.110 20 5 EEBDHM Cc1csc([C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001609441582 1351979306 /nfs/dbraw/zinc/97/93/06/1351979306.db2.gz BZTSWMKOUWLKQL-ZETCQYMHSA-N -1 3 346.376 2.150 20 5 EEBDHM Cc1csc([C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001609441582 1351979313 /nfs/dbraw/zinc/97/93/13/1351979313.db2.gz BZTSWMKOUWLKQL-ZETCQYMHSA-N -1 3 346.376 2.150 20 5 EEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609556353 1352015894 /nfs/dbraw/zinc/01/58/94/1352015894.db2.gz JCDYIMSCQCFROQ-UHFFFAOYSA-N -1 3 339.315 2.097 20 5 EEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609556353 1352015898 /nfs/dbraw/zinc/01/58/98/1352015898.db2.gz JCDYIMSCQCFROQ-UHFFFAOYSA-N -1 3 339.315 2.097 20 5 EEBDHM CC(C)[C@@H](CO)[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)C ZINC001589460303 1348992184 /nfs/dbraw/zinc/99/21/84/1348992184.db2.gz OCNCVEKQPKAPOL-HIFRSBDPSA-N -1 3 348.407 2.476 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1ccccc1 ZINC001589983552 1349091805 /nfs/dbraw/zinc/09/18/05/1349091805.db2.gz DSUKYXJCCFWCSR-BMIGLBTASA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1ccccc1 ZINC001589983552 1349091810 /nfs/dbraw/zinc/09/18/10/1349091810.db2.gz DSUKYXJCCFWCSR-BMIGLBTASA-N -1 3 340.343 2.309 20 5 EEBDHM C[C@H](O)[C@H](C)Sc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589994413 1349098116 /nfs/dbraw/zinc/09/81/16/1349098116.db2.gz FVWHKCDGSAEHEV-YUMQZZPRSA-N -1 3 346.372 2.185 20 5 EEBDHM C[C@H](O)[C@H](C)Sc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589994413 1349098122 /nfs/dbraw/zinc/09/81/22/1349098122.db2.gz FVWHKCDGSAEHEV-YUMQZZPRSA-N -1 3 346.372 2.185 20 5 EEBDHM Cc1cc(NC(=O)c2csc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001592032144 1349586081 /nfs/dbraw/zinc/58/60/81/1349586081.db2.gz WHOOTLNBSHWASP-UHFFFAOYSA-N -1 3 330.329 2.397 20 5 EEBDHM Cn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C1CC1 ZINC001592602155 1349668481 /nfs/dbraw/zinc/66/84/81/1349668481.db2.gz KIDJJRCTNJARCM-UHFFFAOYSA-N -1 3 326.320 2.129 20 5 EEBDHM Cn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C1CC1 ZINC001592602155 1349668484 /nfs/dbraw/zinc/66/84/84/1349668484.db2.gz KIDJJRCTNJARCM-UHFFFAOYSA-N -1 3 326.320 2.129 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3CCCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC001592755921 1349712897 /nfs/dbraw/zinc/71/28/97/1349712897.db2.gz DLFQZODYMZJWAO-GHMZBOCLSA-N -1 3 343.391 2.374 20 5 EEBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592755921 1349712900 /nfs/dbraw/zinc/71/29/00/1349712900.db2.gz DLFQZODYMZJWAO-GHMZBOCLSA-N -1 3 343.391 2.374 20 5 EEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCC12CC2 ZINC001593291406 1349768132 /nfs/dbraw/zinc/76/81/32/1349768132.db2.gz OFOXKNQZQBIXFI-GFCCVEGCSA-N -1 3 343.343 2.398 20 5 EEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCC12CC2 ZINC001593291406 1349768133 /nfs/dbraw/zinc/76/81/33/1349768133.db2.gz OFOXKNQZQBIXFI-GFCCVEGCSA-N -1 3 343.343 2.398 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1ccc2ncccc2c1 ZINC001593470353 1349806029 /nfs/dbraw/zinc/80/60/29/1349806029.db2.gz IASIGMYVTQNLFD-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1ccc2ncccc2c1 ZINC001593470353 1349806033 /nfs/dbraw/zinc/80/60/33/1349806033.db2.gz IASIGMYVTQNLFD-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001593471598 1349807385 /nfs/dbraw/zinc/80/73/85/1349807385.db2.gz OLHGHGASEFXHHW-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM O=[N+]([O-])c1cc(F)ccc1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001593471598 1349807390 /nfs/dbraw/zinc/80/73/90/1349807390.db2.gz OLHGHGASEFXHHW-UHFFFAOYSA-N -1 3 340.318 2.430 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H]2CCOC23CCCC3)ccc1-c1nnn[n-]1 ZINC001593474488 1349808425 /nfs/dbraw/zinc/80/84/25/1349808425.db2.gz PYEKYAUXGXQRNY-ZDUSSCGKSA-N -1 3 330.348 2.289 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cn2)c2ncccc12 ZINC001593478838 1349812293 /nfs/dbraw/zinc/81/22/93/1349812293.db2.gz NDKXXLVETFOOCU-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cn2)c2ncccc12 ZINC001593478838 1349812301 /nfs/dbraw/zinc/81/23/01/1349812301.db2.gz NDKXXLVETFOOCU-UHFFFAOYSA-N -1 3 348.326 2.330 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2ccccn2)C1 ZINC001593481490 1349812933 /nfs/dbraw/zinc/81/29/33/1349812933.db2.gz QERMYAYGICNXHS-LLVKDONJSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2ccccn2)C1 ZINC001593481490 1349812935 /nfs/dbraw/zinc/81/29/35/1349812935.db2.gz QERMYAYGICNXHS-LLVKDONJSA-N -1 3 337.343 2.164 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCc2sccc2C1 ZINC001593483200 1349814219 /nfs/dbraw/zinc/81/42/19/1349814219.db2.gz WSPHBGBNNCDSGU-UHFFFAOYSA-N -1 3 342.384 2.395 20 5 EEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCc2sccc2C1 ZINC001593483200 1349814220 /nfs/dbraw/zinc/81/42/20/1349814220.db2.gz WSPHBGBNNCDSGU-UHFFFAOYSA-N -1 3 342.384 2.395 20 5 EEBDHM Cc1c(CN2CCC3(CC(C(=O)[O-])=NO3)CC2)cccc1[N+](=O)[O-] ZINC001600010670 1349954704 /nfs/dbraw/zinc/95/47/04/1349954704.db2.gz WVAXTBZEHPLNFS-UHFFFAOYSA-N -1 3 333.344 2.099 20 5 EEBDHM O=C([O-])Cc1ccc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001602120917 1350444254 /nfs/dbraw/zinc/44/42/54/1350444254.db2.gz NUNAEOUEXUDRIZ-HNNXBMFYSA-N -1 3 341.367 2.373 20 5 EEBDHM O=C([O-])c1cc(C(=O)NC[C@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001602246139 1350475492 /nfs/dbraw/zinc/47/54/92/1350475492.db2.gz GFVVGEYELOWALB-CQSZACIVSA-N -1 3 347.371 2.040 20 5 EEBDHM COc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001605300447 1351129543 /nfs/dbraw/zinc/12/95/43/1351129543.db2.gz ANFOEQLTYDMQES-UHFFFAOYSA-N -1 3 346.328 2.097 20 5 EEBDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001605637276 1351207456 /nfs/dbraw/zinc/20/74/56/1351207456.db2.gz NMRYAEDIWAVROG-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001605637276 1351207463 /nfs/dbraw/zinc/20/74/63/1351207463.db2.gz NMRYAEDIWAVROG-UHFFFAOYSA-N -1 3 339.359 2.441 20 5 EEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC001605858539 1351239031 /nfs/dbraw/zinc/23/90/31/1351239031.db2.gz OXJCDIHKSJNXBY-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC001605858539 1351239034 /nfs/dbraw/zinc/23/90/34/1351239034.db2.gz OXJCDIHKSJNXBY-UHFFFAOYSA-N -1 3 329.295 2.230 20 5 EEBDHM O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001606481481 1351308423 /nfs/dbraw/zinc/30/84/23/1351308423.db2.gz BXPVRRYGKOXRJT-WTKPLQERSA-N -1 3 337.295 2.394 20 5 EEBDHM O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001606481481 1351308425 /nfs/dbraw/zinc/30/84/25/1351308425.db2.gz BXPVRRYGKOXRJT-WTKPLQERSA-N -1 3 337.295 2.394 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC2(C1)CC(F)(F)C2 ZINC001607077643 1351407802 /nfs/dbraw/zinc/40/78/02/1351407802.db2.gz QAYYIXMXVUWBOB-UHFFFAOYSA-N -1 3 336.302 2.006 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC2(C1)CC(F)(F)C2 ZINC001607077643 1351407804 /nfs/dbraw/zinc/40/78/04/1351407804.db2.gz QAYYIXMXVUWBOB-UHFFFAOYSA-N -1 3 336.302 2.006 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@@H](C2CCC2)[C@@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001607079615 1351408628 /nfs/dbraw/zinc/40/86/28/1351408628.db2.gz KGMQEWISEYTEPU-ABAIWWIYSA-N -1 3 344.375 2.392 20 5 EEBDHM O=[N+]([O-])c1cc(N[C@H](CO)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001607079913 1351409005 /nfs/dbraw/zinc/40/90/05/1351409005.db2.gz OPYBLJXKPRKOEF-CYBMUJFWSA-N -1 3 332.364 2.128 20 5 EEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC=CO1 ZINC000780900220 1371173276 /nfs/dbraw/zinc/17/32/76/1371173276.db2.gz GNPGUHPJNGYFSR-JTQLQIEISA-N -1 3 332.765 2.219 20 5 EEBDHM O=C(NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC001091486415 790975172 /nfs/dbraw/zinc/97/51/72/790975172.db2.gz SHFASOBZCWFVPT-UMSPYCQHSA-N -1 3 346.387 2.192 20 5 EEBDHM COc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821712330 786870086 /nfs/dbraw/zinc/87/00/86/786870086.db2.gz FRQJIZDCRLEQPH-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM COc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821712330 786870099 /nfs/dbraw/zinc/87/00/99/786870099.db2.gz FRQJIZDCRLEQPH-UHFFFAOYSA-N -1 3 341.331 2.099 20 5 EEBDHM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nccs1 ZINC000824413267 788177632 /nfs/dbraw/zinc/17/76/32/788177632.db2.gz KDBMPXIHDCSNTA-VIFPVBQESA-N -1 3 345.388 2.471 20 5 EEBDHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nccs1 ZINC000824413267 788177635 /nfs/dbraw/zinc/17/76/35/788177635.db2.gz KDBMPXIHDCSNTA-VIFPVBQESA-N -1 3 345.388 2.471 20 5 EEBDHM CC(C)c1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC001094687274 796532097 /nfs/dbraw/zinc/53/20/97/796532097.db2.gz JWTFFHPWWUGALZ-UHFFFAOYSA-N -1 3 349.347 2.039 20 5 EEBDHM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 ZINC000132364383 799438960 /nfs/dbraw/zinc/43/89/60/799438960.db2.gz UHQLTEGBBPHDNG-UHFFFAOYSA-N -1 3 345.377 2.286 20 5 EEBDHM O=C(N[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001066417999 802304353 /nfs/dbraw/zinc/30/43/53/802304353.db2.gz XFZVIUMBEXPRPX-UMSPYCQHSA-N -1 3 334.376 2.192 20 5 EEBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000228560578 242140499 /nfs/dbraw/zinc/14/04/99/242140499.db2.gz WIDTYNSFWWSVOW-LBPRGKRZSA-N -1 3 336.797 2.078 20 5 EEBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000266212104 248177400 /nfs/dbraw/zinc/17/74/00/248177400.db2.gz QOCAOGSPQCSWHC-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[n-]c(=O)n1 ZINC000268821927 252272778 /nfs/dbraw/zinc/27/27/78/252272778.db2.gz JVKKDCZHJPPLJS-UHFFFAOYSA-N -1 3 330.344 2.450 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC2CC2)c1C ZINC000119422243 221316749 /nfs/dbraw/zinc/31/67/49/221316749.db2.gz DLHCXWALHPCMAU-UHFFFAOYSA-N -1 3 342.417 2.307 20 5 EEBDHM CC[C@](C)(C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])OC ZINC000451798575 288393634 /nfs/dbraw/zinc/39/36/34/288393634.db2.gz UEKLWSDKCXCVLL-CQSZACIVSA-N -1 3 330.406 2.305 20 5 EEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c(Cl)c1 ZINC000190638881 152211949 /nfs/dbraw/zinc/21/19/49/152211949.db2.gz ABSMTOKRXSQDRG-YUSALJHKSA-N -1 3 346.792 2.094 20 5 EEBDHM CC(C)(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066568739 159000592 /nfs/dbraw/zinc/00/05/92/159000592.db2.gz UQJYZKYOVBXVIZ-UHFFFAOYSA-N -1 3 337.195 2.434 20 5 EEBDHM CCc1cnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000185854609 160050017 /nfs/dbraw/zinc/05/00/17/160050017.db2.gz XGNSCGHXTHOYTK-UHFFFAOYSA-N -1 3 327.387 2.092 20 5 EEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(N)=O)cc2F)c1 ZINC000343590766 161149620 /nfs/dbraw/zinc/14/96/20/161149620.db2.gz AKXMTYRYAGNZCP-UHFFFAOYSA-N -1 3 333.275 2.094 20 5 EEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000346578876 161383504 /nfs/dbraw/zinc/38/35/04/161383504.db2.gz NIRYPRFUSYQDGD-JOYOIKCWSA-N -1 3 348.808 2.484 20 5 EEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000352887502 162331259 /nfs/dbraw/zinc/33/12/59/162331259.db2.gz XZDFTHDLZHJFJX-UHFFFAOYSA-N -1 3 336.369 2.212 20 5 EEBDHM COCCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000360383257 164297488 /nfs/dbraw/zinc/29/74/88/164297488.db2.gz HQKOCIKPZIIXLZ-UHFFFAOYSA-N -1 3 348.808 2.486 20 5 EEBDHM COc1cc(C(=O)[N-]OCCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000275208374 274227309 /nfs/dbraw/zinc/22/73/09/274227309.db2.gz JNGZTEITCUXCQV-UHFFFAOYSA-N -1 3 338.238 2.226 20 5 EEBDHM COCCCO[N-]C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287942072 275008253 /nfs/dbraw/zinc/00/82/53/275008253.db2.gz VXPOITXYNRWOCF-UHFFFAOYSA-N -1 3 332.740 2.101 20 5 EEBDHM COCC1CCC([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000416586734 313266514 /nfs/dbraw/zinc/26/65/14/313266514.db2.gz GUNOPGMLAZIZSL-UHFFFAOYSA-N -1 3 342.417 2.387 20 5 EEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCC1 ZINC000416623650 313276743 /nfs/dbraw/zinc/27/67/43/313276743.db2.gz YKVFLDKQRADMCE-GFCCVEGCSA-N -1 3 342.417 2.448 20 5 EEBDHM CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436869106 315007802 /nfs/dbraw/zinc/00/78/02/315007802.db2.gz LKJOGZUZEKSNAZ-UHFFFAOYSA-N -1 3 329.356 2.162 20 5 EEBDHM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000442669332 315206252 /nfs/dbraw/zinc/20/62/52/315206252.db2.gz GUNGDODTIOJWJT-UHFFFAOYSA-N -1 3 325.284 2.338 20 5 EEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000443168611 315232157 /nfs/dbraw/zinc/23/21/57/315232157.db2.gz BGDYEUQBTSTXQY-UHFFFAOYSA-N -1 3 336.369 2.130 20 5 EEBDHM CCOc1cc(CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565962380 319231262 /nfs/dbraw/zinc/23/12/62/319231262.db2.gz PSUGAGCHBWFKOL-TZMCWYRMSA-N -1 3 338.360 2.058 20 5 EEBDHM CN(C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000580716225 324117767 /nfs/dbraw/zinc/11/77/67/324117767.db2.gz CLBTYBYFWSQUDD-NSHDSACASA-N -1 3 336.373 2.464 20 5 EEBDHM C[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000358321992 465058478 /nfs/dbraw/zinc/05/84/78/465058478.db2.gz CFZQBHZZHHMOMJ-SECBINFHSA-N -1 3 341.327 2.073 20 5 EEBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000590590665 468279981 /nfs/dbraw/zinc/27/99/81/468279981.db2.gz IPYGUSVSOVTMIH-SNVBAGLBSA-N -1 3 348.396 2.118 20 5 EEBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000359498190 465414295 /nfs/dbraw/zinc/41/42/95/465414295.db2.gz CMWZTOQYTVPAGS-UHFFFAOYSA-N -1 3 348.216 2.193 20 5 EEBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1F ZINC000359498190 465414300 /nfs/dbraw/zinc/41/43/00/465414300.db2.gz CMWZTOQYTVPAGS-UHFFFAOYSA-N -1 3 348.216 2.193 20 5 EEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000359498190 465414307 /nfs/dbraw/zinc/41/43/07/465414307.db2.gz CMWZTOQYTVPAGS-UHFFFAOYSA-N -1 3 348.216 2.193 20 5 EEBDHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046036715 462640118 /nfs/dbraw/zinc/64/01/18/462640118.db2.gz PISDIGODHMNKCP-GXTWGEPZSA-N -1 3 342.417 2.468 20 5 EEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066568667 462904543 /nfs/dbraw/zinc/90/45/43/462904543.db2.gz NFPSFCBODGBPQN-SSDOTTSWSA-N -1 3 337.195 2.434 20 5 EEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1[N+](=O)[O-] ZINC000590762839 468331637 /nfs/dbraw/zinc/33/16/37/468331637.db2.gz HUKDJDJDMKDGDY-LBPRGKRZSA-N -1 3 340.401 2.059 20 5 EEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000162778670 463536984 /nfs/dbraw/zinc/53/69/84/463536984.db2.gz LIQRGHBOZGTKMI-JSGCOSHPSA-N -1 3 340.401 2.139 20 5 EEBDHM CCCCN(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112364095 463700166 /nfs/dbraw/zinc/70/01/66/463700166.db2.gz GBJJKODOMIVUKH-UHFFFAOYSA-N -1 3 349.840 2.258 20 5 EEBDHM Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000173227173 464214498 /nfs/dbraw/zinc/21/44/98/464214498.db2.gz KZFLMZOFCWSYIT-UHFFFAOYSA-N -1 3 341.414 2.455 20 5 EEBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360010772 465517953 /nfs/dbraw/zinc/51/79/53/465517953.db2.gz JOEFGKOWDKXVFS-CHWSQXEVSA-N -1 3 342.417 2.305 20 5 EEBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360010775 465517992 /nfs/dbraw/zinc/51/79/92/465517992.db2.gz JOEFGKOWDKXVFS-STQMWFEESA-N -1 3 342.417 2.305 20 5 EEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1F ZINC000337964804 465716034 /nfs/dbraw/zinc/71/60/34/465716034.db2.gz WSAJITPVVAYDPY-MRVPVSSYSA-N -1 3 343.311 2.308 20 5 EEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@]1(C)CC=CCC1 ZINC000591331266 468450089 /nfs/dbraw/zinc/45/00/89/468450089.db2.gz RLEQTMHJMITXRZ-AWEZNQCLSA-N -1 3 326.374 2.381 20 5 EEBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000299496906 465776806 /nfs/dbraw/zinc/77/68/06/465776806.db2.gz BKNBQOGYQKJYPU-UHFFFAOYSA-N -1 3 349.372 2.490 20 5 EEBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000338332691 466036123 /nfs/dbraw/zinc/03/61/23/466036123.db2.gz PYHMEHFJVDWMMH-UHFFFAOYSA-N -1 3 325.328 2.181 20 5 EEBDHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346261273 466037174 /nfs/dbraw/zinc/03/71/74/466037174.db2.gz MNALXHQGHPOPNH-HWWQOWPSSA-N -1 3 333.388 2.103 20 5 EEBDHM COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000357592941 466162020 /nfs/dbraw/zinc/16/20/20/466162020.db2.gz JDTYQAHSRWCMOV-UHFFFAOYSA-N -1 3 331.328 2.151 20 5 EEBDHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000313094084 466535161 /nfs/dbraw/zinc/53/51/61/466535161.db2.gz BDTZQTGWJIYZAY-AAEUAGOBSA-N -1 3 330.406 2.039 20 5 EEBDHM COC(=O)N1CCC[C@H]([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000496614128 467676174 /nfs/dbraw/zinc/67/61/74/467676174.db2.gz AKYBWCZPRQHKDG-NEPJUHHUSA-N -1 3 337.376 2.257 20 5 EEBDHM Cc1sc(S(=O)(=O)[N-]CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000594850744 468704001 /nfs/dbraw/zinc/70/40/01/468704001.db2.gz XRFXHMWQFVIGJP-UHFFFAOYSA-N -1 3 336.435 2.448 20 5 EEBDHM O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592762847 468779219 /nfs/dbraw/zinc/77/92/19/468779219.db2.gz OLPYNPRYURCKMI-LLVKDONJSA-N -1 3 339.779 2.168 20 5 EEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)COCC2CC2)c1C ZINC000593654631 469081562 /nfs/dbraw/zinc/08/15/62/469081562.db2.gz QKGIGQLHKSTJJG-LLVKDONJSA-N -1 3 342.417 2.305 20 5 EEBDHM O=c1[n-]ccc(N2CCCN3c4ccccc4C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596236732 469217347 /nfs/dbraw/zinc/21/73/47/469217347.db2.gz MMHAWECFIODFMB-CYBMUJFWSA-N -1 3 326.356 2.337 20 5 EEBDHM O=c1[n-]ccc(N2CCC(CO)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596240183 469218372 /nfs/dbraw/zinc/21/83/72/469218372.db2.gz SNCTURKJKWIRFE-UHFFFAOYSA-N -1 3 329.356 2.226 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)c1ccc(F)cc1 ZINC000738358840 578010645 /nfs/dbraw/zinc/01/06/45/578010645.db2.gz PMNVJKIAWABEIU-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)c1ccc(F)cc1 ZINC000738358840 578010646 /nfs/dbraw/zinc/01/06/46/578010646.db2.gz PMNVJKIAWABEIU-CYBMUJFWSA-N -1 3 344.306 2.060 20 5 EEBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000758444456 577624937 /nfs/dbraw/zinc/62/49/37/577624937.db2.gz PYNZLWCQWHPBCW-UHFFFAOYSA-N -1 3 341.776 2.164 20 5 EEBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1cnc(C2OCCO2)s1 ZINC000753003410 577779849 /nfs/dbraw/zinc/77/98/49/577779849.db2.gz OAKRDIVCUGHXIF-UHFFFAOYSA-N -1 3 339.304 2.488 20 5 EEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000742309580 577870823 /nfs/dbraw/zinc/87/08/23/577870823.db2.gz POIUPWOWXYRQFU-MWLCHTKSSA-N -1 3 347.824 2.009 20 5 EEBDHM CCOC(=O)C[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736593011 578213488 /nfs/dbraw/zinc/21/34/88/578213488.db2.gz GIRFHOBYVASRNM-QMMMGPOBSA-N -1 3 337.361 2.209 20 5 EEBDHM CCOC(=O)C[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736593011 578213489 /nfs/dbraw/zinc/21/34/89/578213489.db2.gz GIRFHOBYVASRNM-QMMMGPOBSA-N -1 3 337.361 2.209 20 5 EEBDHM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000736647761 578215716 /nfs/dbraw/zinc/21/57/16/578215716.db2.gz SZNNRPFORMTGBC-UHFFFAOYSA-N -1 3 345.294 2.451 20 5 EEBDHM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000736647761 578215717 /nfs/dbraw/zinc/21/57/17/578215717.db2.gz SZNNRPFORMTGBC-UHFFFAOYSA-N -1 3 345.294 2.451 20 5 EEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000826252719 607385345 /nfs/dbraw/zinc/38/53/45/607385345.db2.gz PGOUUICSLZIUKU-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000826252719 607385347 /nfs/dbraw/zinc/38/53/47/607385347.db2.gz PGOUUICSLZIUKU-UHFFFAOYSA-N -1 3 339.311 2.440 20 5 EEBDHM C[C@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H]1C(=O)[O-] ZINC000828465841 601814243 /nfs/dbraw/zinc/81/42/43/601814243.db2.gz YHMMYDWEHAYLPZ-NHYWBVRUSA-N -1 3 330.344 2.068 20 5 EEBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCOCC1 ZINC000820926970 606042381 /nfs/dbraw/zinc/04/23/81/606042381.db2.gz YIGXMAUKMISGMF-ZDUSSCGKSA-N -1 3 332.364 2.392 20 5 EEBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCOCC1 ZINC000820926970 606042386 /nfs/dbraw/zinc/04/23/86/606042386.db2.gz YIGXMAUKMISGMF-ZDUSSCGKSA-N -1 3 332.364 2.392 20 5 EEBDHM CCCCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC ZINC000821050642 606430096 /nfs/dbraw/zinc/43/00/96/606430096.db2.gz SROIPNIITMLBHG-LBPRGKRZSA-N -1 3 348.363 2.309 20 5 EEBDHM CCCCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC ZINC000821050642 606430098 /nfs/dbraw/zinc/43/00/98/606430098.db2.gz SROIPNIITMLBHG-LBPRGKRZSA-N -1 3 348.363 2.309 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823629984 606729702 /nfs/dbraw/zinc/72/97/02/606729702.db2.gz OUELSFZXDHDUDU-JTNHKYCSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823629984 606729704 /nfs/dbraw/zinc/72/97/04/606729704.db2.gz OUELSFZXDHDUDU-JTNHKYCSSA-N -1 3 330.348 2.144 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823644261 607171042 /nfs/dbraw/zinc/17/10/42/607171042.db2.gz IELRVARDIQGWCV-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823644261 607171043 /nfs/dbraw/zinc/17/10/43/607171043.db2.gz IELRVARDIQGWCV-UHFFFAOYSA-N -1 3 345.290 2.372 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000826500367 607937917 /nfs/dbraw/zinc/93/79/17/607937917.db2.gz VVPGUZDZIREPTB-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=[N+]([O-])c1cccc2c1CCN(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000826500367 607937918 /nfs/dbraw/zinc/93/79/18/607937918.db2.gz VVPGUZDZIREPTB-UHFFFAOYSA-N -1 3 340.318 2.477 20 5 EEBDHM O=C(C=Cc1ccco1)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107051310 1193011792 /nfs/dbraw/zinc/01/17/92/1193011792.db2.gz XJCJKFZSYRULPT-DJKAJFNQSA-N -1 3 344.327 2.086 20 5 EEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436826322 1189853592 /nfs/dbraw/zinc/85/35/92/1189853592.db2.gz KIOHQDCAVPAPQP-UHFFFAOYSA-N -1 3 344.323 2.344 20 5 EEBDHM COC(=O)c1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c[n-]1 ZINC000814532252 1199565189 /nfs/dbraw/zinc/56/51/89/1199565189.db2.gz PSHRJQOHFTWUPF-UHFFFAOYSA-N -1 3 345.267 2.208 20 5 EEBDHM O=C([N-]CC1CN(C/C=C/c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000877777257 1200095474 /nfs/dbraw/zinc/09/54/74/1200095474.db2.gz SMTQXXGEHDATME-HWKANZROSA-N -1 3 343.305 2.218 20 5 EEBDHM COc1cc([C@@H]2Nc3cc(C)ccc3C(=O)N2)c([N+](=O)[O-])cc1[O-] ZINC000877863902 1200142018 /nfs/dbraw/zinc/14/20/18/1200142018.db2.gz LEKJMYMADHYQBL-OAHLLOKOSA-N -1 3 329.312 2.472 20 5 EEBDHM Cc1ccc(-c2cc(C(=O)OCCn3c(C)ncc3[N+](=O)[O-])n[n-]2)o1 ZINC000193628409 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C[C@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC001603807753 1350772697 /nfs/dbraw/zinc/77/26/97/1350772697.db2.gz STTBABNQAPHBQS-DZGCQCFKSA-N -1 3 332.364 2.128 20 5 EEBDHM C[C@@H]1CCC[C@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC001603883930 1350791252 /nfs/dbraw/zinc/79/12/52/1350791252.db2.gz DBRMXWHFELVNCK-MNOVXSKESA-N -1 3 343.391 2.432 20 5 EEBDHM C[C@@H]1CCC[C@H](C2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC001603883930 1350791255 /nfs/dbraw/zinc/79/12/55/1350791255.db2.gz DBRMXWHFELVNCK-MNOVXSKESA-N -1 3 343.391 2.432 20 5 EEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001604112796 1350862612 /nfs/dbraw/zinc/86/26/12/1350862612.db2.gz ZTZIKPZPMZQUOW-JTQLQIEISA-N -1 3 334.405 2.415 20 5 EEBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001604112796 1350862616 /nfs/dbraw/zinc/86/26/16/1350862616.db2.gz ZTZIKPZPMZQUOW-JTQLQIEISA-N -1 3 334.405 2.415 20 5 EEBDHM CCNc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001604360409 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