smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CCNC(=O)c1ccn[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100452620 747084130 /nfs/dbraw/zinc/08/41/30/747084130.db2.gz RFILCYQSXNUOPL-UHFFFAOYSA-N -1 3 320.309 0.675 20 5 DCBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cn[n-]n1 ZINC001059880382 749670160 /nfs/dbraw/zinc/67/01/60/749670160.db2.gz GIHSHVZWGFYYKN-OCAPTIKFSA-N -1 3 303.282 0.481 20 5 DCBDHM Cc1cc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC001099907943 763115676 /nfs/dbraw/zinc/11/56/76/763115676.db2.gz MMOYVWRCBCTDRN-UHFFFAOYSA-N -1 3 321.293 0.858 20 5 DCBDHM O=C(Cn1ccnc1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093698087 768695582 /nfs/dbraw/zinc/69/55/82/768695582.db2.gz GAXWQPKRSHIROC-UHFFFAOYSA-N -1 3 306.282 0.120 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccnn1 ZINC001093802198 768731249 /nfs/dbraw/zinc/73/12/49/768731249.db2.gz WVZYRBJYYNJKIM-UHFFFAOYSA-N -1 3 304.266 0.327 20 5 DCBDHM Cc1nc[nH]c1CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093777257 768736191 /nfs/dbraw/zinc/73/61/91/768736191.db2.gz ZNBCSRPCCPVMLF-UHFFFAOYSA-N -1 3 320.309 0.498 20 5 DCBDHM NC(=O)c1c([O-])cccc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001234148453 769564203 /nfs/dbraw/zinc/56/42/03/769564203.db2.gz HDMLTNNVIUAPIA-ZETCQYMHSA-N -1 3 320.261 0.436 20 5 DCBDHM O=C1NCCN1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001261647698 947385730 /nfs/dbraw/zinc/38/57/30/947385730.db2.gz DUNIWJXMOMTIGD-UHFFFAOYSA-N -1 3 307.310 0.689 20 5 DCBDHM NS(=O)(=O)C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001327648921 948583256 /nfs/dbraw/zinc/58/32/56/948583256.db2.gz QTDIZLXDWAMCRR-QMMMGPOBSA-N -1 3 316.339 0.200 20 5 DCBDHM C[C@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001575866534 949417882 /nfs/dbraw/zinc/41/78/82/949417882.db2.gz GOOFXWRTPXGALA-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001575866534 949417893 /nfs/dbraw/zinc/41/78/93/949417893.db2.gz GOOFXWRTPXGALA-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001329579897 949696522 /nfs/dbraw/zinc/69/65/22/949696522.db2.gz QDTMGEVBCZECMU-JTQLQIEISA-N -1 3 311.342 0.572 20 5 DCBDHM NC(=O)CO[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001446954376 1013133890 /nfs/dbraw/zinc/13/38/90/1013133890.db2.gz LZSIRCAATATBON-UHFFFAOYSA-N -1 3 318.083 0.504 20 5 DCBDHM CN1CC[C@@](O)(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001598586197 993386851 /nfs/dbraw/zinc/38/68/51/993386851.db2.gz NUIVRSQYUVDBRS-CQSZACIVSA-N -1 3 323.305 0.089 20 5 DCBDHM Cn1cc(C[C@@H](CO)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001472821691 1016859107 /nfs/dbraw/zinc/85/91/07/1016859107.db2.gz URHOFFDFGDOVKZ-SNVBAGLBSA-N -1 3 307.310 0.692 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)n1 ZINC001472877502 1016867108 /nfs/dbraw/zinc/86/71/08/1016867108.db2.gz SSZPUZUKMFJNIE-SECBINFHSA-N -1 3 317.309 0.880 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2OCCCO2)c(F)c1 ZINC001561481903 1012469890 /nfs/dbraw/zinc/46/98/90/1012469890.db2.gz KVLCOPFUEMJIFF-UHFFFAOYSA-N -1 3 320.298 0.775 20 5 DCBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332636772 235227630 /nfs/dbraw/zinc/22/76/30/235227630.db2.gz QXGWTCGLTTWGFN-BXKDBHETSA-N -1 3 304.306 0.892 20 5 DCBDHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281253983 216188373 /nfs/dbraw/zinc/18/83/73/216188373.db2.gz GIMUGPAELMTEFC-MRVPVSSYSA-N -1 3 322.314 0.410 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000275072411 212104825 /nfs/dbraw/zinc/10/48/25/212104825.db2.gz KYFAKCISLYWSKA-UHFFFAOYSA-N -1 3 322.314 0.792 20 5 DCBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351836169 254373285 /nfs/dbraw/zinc/37/32/85/254373285.db2.gz PQLIPQJIMISHLK-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000032658910 395712279 /nfs/dbraw/zinc/71/22/79/395712279.db2.gz BNFUSDANZSRYNQ-SNVBAGLBSA-N -1 3 308.338 0.887 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000167188988 396089352 /nfs/dbraw/zinc/08/93/52/396089352.db2.gz XGDFUIAIVSILMK-UHFFFAOYSA-N -1 3 316.335 0.654 20 5 DCBDHM COC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000071271129 396111827 /nfs/dbraw/zinc/11/18/27/396111827.db2.gz RTSHOXNGMWQYHW-QMMMGPOBSA-N -1 3 324.742 0.534 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]Cc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000080624270 396283340 /nfs/dbraw/zinc/28/33/40/396283340.db2.gz UXNUNJRQXYBCBU-UHFFFAOYSA-N -1 3 312.307 0.805 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCF ZINC000280864071 396226419 /nfs/dbraw/zinc/22/64/19/396226419.db2.gz ZKKTXWGUVXNVSG-UHFFFAOYSA-N -1 3 306.271 0.629 20 5 DCBDHM COCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000264476881 396283890 /nfs/dbraw/zinc/28/38/90/396283890.db2.gz MONWBDSEHKJUKG-VIFPVBQESA-N -1 3 310.310 0.146 20 5 DCBDHM CN1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269231204 396397449 /nfs/dbraw/zinc/39/74/49/396397449.db2.gz FZSPNYNMIAWNGH-UHFFFAOYSA-N -1 3 309.322 0.487 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(C(N)=O)CC2)c1[N+](=O)[O-] ZINC000190071781 396401923 /nfs/dbraw/zinc/40/19/23/396401923.db2.gz FGSVBTGZRXTQPS-UHFFFAOYSA-N -1 3 313.335 0.508 20 5 DCBDHM O=C(CNc1ccccc1[N+](=O)[O-])NCCCc1cc(=O)[nH][n-]1 ZINC000588876134 396697627 /nfs/dbraw/zinc/69/76/27/396697627.db2.gz VTSLWVAYKLTUAI-UHFFFAOYSA-N -1 3 319.321 0.779 20 5 DCBDHM Cc1nnc(CN2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)[nH]1 ZINC000596183983 396728293 /nfs/dbraw/zinc/72/82/93/396728293.db2.gz CBEPOASIMRWZET-UHFFFAOYSA-N -1 3 319.325 0.444 20 5 DCBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCN(C2CC2)C1 ZINC000611107084 396818490 /nfs/dbraw/zinc/81/84/90/396818490.db2.gz ZMVAOKOLPFVHJK-SECBINFHSA-N -1 3 312.351 0.505 20 5 DCBDHM CCOC(=O)c1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000617872305 396849855 /nfs/dbraw/zinc/84/98/55/396849855.db2.gz QXIIOLWWFACPKS-UHFFFAOYSA-N -1 3 322.281 0.720 20 5 DCBDHM CCOC(=O)c1nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c[n-]1 ZINC000617872305 396849858 /nfs/dbraw/zinc/84/98/58/396849858.db2.gz QXIIOLWWFACPKS-UHFFFAOYSA-N -1 3 322.281 0.720 20 5 DCBDHM COC(=O)CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590589700 396804847 /nfs/dbraw/zinc/80/48/47/396804847.db2.gz YWBODULJFQZTDA-UHFFFAOYSA-N -1 3 320.298 0.884 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000590591723 396806622 /nfs/dbraw/zinc/80/66/22/396806622.db2.gz SKUOOAOITOVAHB-LURJTMIESA-N -1 3 305.287 0.194 20 5 DCBDHM C[C@@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc([N+](=O)[O-])c1 ZINC000604249114 397634488 /nfs/dbraw/zinc/63/44/88/397634488.db2.gz KXYMANSZSRXFIX-KCJUWKMLSA-N -1 3 320.305 0.760 20 5 DCBDHM CCCc1n[nH]c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000609989372 397799533 /nfs/dbraw/zinc/79/95/33/397799533.db2.gz VEGNZHYOYJDYIT-MRVPVSSYSA-N -1 3 322.325 0.512 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123241109 158227680 /nfs/dbraw/zinc/22/76/80/158227680.db2.gz NFBKWMKQKNARIW-UHFFFAOYSA-N -1 3 307.353 0.379 20 5 DCBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CNCCO1 ZINC000126852995 158268643 /nfs/dbraw/zinc/26/86/43/158268643.db2.gz ZMOUVQBEHOTGOZ-QMMMGPOBSA-N -1 3 319.314 0.001 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368020162 159371060 /nfs/dbraw/zinc/37/10/60/159371060.db2.gz OHSIDDYCCOIASO-VXGBXAGGSA-N -1 3 321.333 0.893 20 5 DCBDHM COC(=O)c1n[nH]cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356879874 287202856 /nfs/dbraw/zinc/20/28/56/287202856.db2.gz JJHITEFLAPELMN-UHFFFAOYSA-N -1 3 307.222 0.457 20 5 DCBDHM C[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000416500447 287238370 /nfs/dbraw/zinc/23/83/70/287238370.db2.gz HGGNLFKDEGMHBD-GFCCVEGCSA-N -1 3 313.335 0.542 20 5 DCBDHM COC[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342537910 415201529 /nfs/dbraw/zinc/20/15/29/415201529.db2.gz AOSMYXDBAGSIOB-MRVPVSSYSA-N -1 3 324.380 0.640 20 5 DCBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1COCCO1 ZINC000352949258 415377235 /nfs/dbraw/zinc/37/72/35/415377235.db2.gz RZLIPZRWOFOWSY-NSHDSACASA-N -1 3 316.335 0.430 20 5 DCBDHM Cc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)[n-]c(=O)n1 ZINC000089303699 415522455 /nfs/dbraw/zinc/52/24/55/415522455.db2.gz JZDMLONRDLIEGY-UHFFFAOYSA-N -1 3 302.290 0.959 20 5 DCBDHM CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[C@@H]2C1 ZINC000425320421 287316066 /nfs/dbraw/zinc/31/60/66/287316066.db2.gz FMSKBSKVPVEQGS-JOYOIKCWSA-N -1 3 306.322 0.862 20 5 DCBDHM NC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173032732 416052228 /nfs/dbraw/zinc/05/22/28/416052228.db2.gz ZUEYAGFBDXUHFT-UHFFFAOYSA-N -1 3 307.715 0.402 20 5 DCBDHM Cc1ncc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c(=O)[n-]1 ZINC000357461166 416084351 /nfs/dbraw/zinc/08/43/51/416084351.db2.gz SPAFHUJWZJGBIC-UHFFFAOYSA-N -1 3 304.266 0.505 20 5 DCBDHM Cc1nnc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1C ZINC000345400726 416090188 /nfs/dbraw/zinc/09/01/88/416090188.db2.gz QEPRYNCEUPODSF-UHFFFAOYSA-N -1 3 301.266 1.160 20 5 DCBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416568302 416376153 /nfs/dbraw/zinc/37/61/53/416376153.db2.gz JNKHXYFJAQGWCR-WCBMZHEXSA-N -1 3 302.308 0.287 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC(N)=O ZINC000360506302 416393996 /nfs/dbraw/zinc/39/39/96/416393996.db2.gz ZDEKXORQYYIEID-MRVPVSSYSA-N -1 3 301.324 0.445 20 5 DCBDHM Cn1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(=O)[n-]c1=O ZINC000522238978 417057378 /nfs/dbraw/zinc/05/73/78/417057378.db2.gz IYPXCACVQMJTET-UHFFFAOYSA-N -1 3 304.262 0.324 20 5 DCBDHM CNc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC000524411369 417107330 /nfs/dbraw/zinc/10/73/30/417107330.db2.gz JTBYTGSSATVQBH-SNVBAGLBSA-N -1 3 319.321 0.878 20 5 DCBDHM COCC(COC)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451890067 417409390 /nfs/dbraw/zinc/40/93/90/417409390.db2.gz OGACSBPJAGYTQS-UHFFFAOYSA-N -1 3 318.351 0.676 20 5 DCBDHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000452040169 417435602 /nfs/dbraw/zinc/43/56/02/417435602.db2.gz PWMHXHQTUWNQHG-MWLCHTKSSA-N -1 3 316.335 0.677 20 5 DCBDHM Cc1c(CC(=O)Nc2[n-]nnc2C(N)=O)cccc1[N+](=O)[O-] ZINC000362422109 262033863 /nfs/dbraw/zinc/03/38/63/262033863.db2.gz JLFXEHHNNFDBMD-UHFFFAOYSA-N -1 3 304.266 0.301 20 5 DCBDHM Cc1c(CC(=O)Nc2nn[n-]c2C(N)=O)cccc1[N+](=O)[O-] ZINC000362422109 262033864 /nfs/dbraw/zinc/03/38/64/262033864.db2.gz JLFXEHHNNFDBMD-UHFFFAOYSA-N -1 3 304.266 0.301 20 5 DCBDHM Cc1c(CC(=O)Nc2n[n-]nc2C(N)=O)cccc1[N+](=O)[O-] ZINC000362422109 262033865 /nfs/dbraw/zinc/03/38/65/262033865.db2.gz JLFXEHHNNFDBMD-UHFFFAOYSA-N -1 3 304.266 0.301 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000360008724 271156251 /nfs/dbraw/zinc/15/62/51/271156251.db2.gz YDSGUDZPWXQMBN-VIFPVBQESA-N -1 3 313.335 0.378 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)cc1 ZINC000420436606 280369729 /nfs/dbraw/zinc/36/97/29/280369729.db2.gz BCZMEEPUJJVRRJ-SNVBAGLBSA-N -1 3 321.305 0.870 20 5 DCBDHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000352882009 289947206 /nfs/dbraw/zinc/94/72/06/289947206.db2.gz BWMGLLFUKVOQMA-SECBINFHSA-N -1 3 313.335 0.494 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C(N)=O)c1[N+](=O)[O-] ZINC000189814799 301557093 /nfs/dbraw/zinc/55/70/93/301557093.db2.gz UWDFJBGIASVCLN-MRVPVSSYSA-N -1 3 301.324 0.364 20 5 DCBDHM CN(C)CCN(CC(=O)[O-])C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000389424730 336387746 /nfs/dbraw/zinc/38/77/46/336387746.db2.gz WLVPPAQYVGSBGC-UHFFFAOYSA-N -1 3 309.322 0.612 20 5 DCBDHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331717602 534514851 /nfs/dbraw/zinc/51/48/51/534514851.db2.gz IQULOKPNGCOYOZ-UHFFFAOYSA-N -1 3 304.262 0.036 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228077678 525041174 /nfs/dbraw/zinc/04/11/74/525041174.db2.gz ZKOSSEUVZQXQNQ-BXKDBHETSA-N -1 3 316.335 0.413 20 5 DCBDHM Nc1ccnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822907216 607304746 /nfs/dbraw/zinc/30/47/46/607304746.db2.gz BOUJGFQFNHHBCU-UHFFFAOYSA-N -1 3 314.269 0.154 20 5 DCBDHM Nc1ccnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822907216 607304747 /nfs/dbraw/zinc/30/47/47/607304747.db2.gz BOUJGFQFNHHBCU-UHFFFAOYSA-N -1 3 314.269 0.154 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCS(=O)(=O)CC2)ccc1-c1nnn[n-]1 ZINC000823634509 607347217 /nfs/dbraw/zinc/34/72/17/607347217.db2.gz IVDORXQOXAHHLV-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM CC[C@H](C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736334462 598774342 /nfs/dbraw/zinc/77/43/42/598774342.db2.gz WAZQABKXWUPWHG-XVKPBYJWSA-N -1 3 307.314 0.989 20 5 DCBDHM CC[C@H](C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736334462 598774343 /nfs/dbraw/zinc/77/43/43/598774343.db2.gz WAZQABKXWUPWHG-XVKPBYJWSA-N -1 3 307.314 0.989 20 5 DCBDHM CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821624019 606243612 /nfs/dbraw/zinc/24/36/12/606243612.db2.gz XRPCZRVVHRNADQ-NSHDSACASA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821624019 606243613 /nfs/dbraw/zinc/24/36/13/606243613.db2.gz XRPCZRVVHRNADQ-NSHDSACASA-N -1 3 317.309 0.808 20 5 DCBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000826003962 607970606 /nfs/dbraw/zinc/97/06/06/607970606.db2.gz BYBCAOFDBIFAQE-SECBINFHSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000826003962 607970607 /nfs/dbraw/zinc/97/06/07/607970607.db2.gz BYBCAOFDBIFAQE-SECBINFHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H](Cn1ccnc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824466798 608365407 /nfs/dbraw/zinc/36/54/07/608365407.db2.gz ZANFSPBZOVWMDX-MRVPVSSYSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@H](Cn1ccnc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824466798 608365409 /nfs/dbraw/zinc/36/54/09/608365409.db2.gz ZANFSPBZOVWMDX-MRVPVSSYSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824685820 609568730 /nfs/dbraw/zinc/56/87/30/609568730.db2.gz AJQMUYBHOLSMHG-WPRPVWTQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824685820 609568732 /nfs/dbraw/zinc/56/87/32/609568732.db2.gz AJQMUYBHOLSMHG-WPRPVWTQSA-N -1 3 304.310 0.982 20 5 DCBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CNCCO1 ZINC000261668303 661375312 /nfs/dbraw/zinc/37/53/12/661375312.db2.gz LCIDLFJVFAFMQJ-QMMMGPOBSA-N -1 3 319.314 0.001 20 5 DCBDHM COc1c([O-])ccc(CN2CC(=O)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893884529 661416934 /nfs/dbraw/zinc/41/69/34/661416934.db2.gz DKYPJSCADDNWSC-VIFPVBQESA-N -1 3 309.322 0.972 20 5 DCBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1nnc[nH]1 ZINC000151894184 664721818 /nfs/dbraw/zinc/72/18/18/664721818.db2.gz CSFURVBAQXGYJK-UHFFFAOYSA-N -1 3 315.286 0.373 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)C)cc1F ZINC000866379465 667373535 /nfs/dbraw/zinc/37/35/35/667373535.db2.gz JVNMZBKYMCSLLI-UHFFFAOYSA-N -1 3 305.331 0.882 20 5 DCBDHM CCn1nccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000769872643 668667707 /nfs/dbraw/zinc/66/77/07/668667707.db2.gz ZDEAWFKKMFBMDQ-UHFFFAOYSA-N -1 3 312.311 0.512 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805606555 668898979 /nfs/dbraw/zinc/89/89/79/668898979.db2.gz ZIRJWBLHUGGDNN-UHFFFAOYSA-N -1 3 305.250 0.817 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805606555 668898980 /nfs/dbraw/zinc/89/89/80/668898980.db2.gz ZIRJWBLHUGGDNN-UHFFFAOYSA-N -1 3 305.250 0.817 20 5 DCBDHM O=C(COC(=O)c1cnn[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000805606563 668899001 /nfs/dbraw/zinc/89/90/01/668899001.db2.gz ZNVSHXMGIQGGBH-UHFFFAOYSA-N -1 3 309.213 0.648 20 5 DCBDHM O=C(COC(=O)c1c[n-]nn1)Nc1cc([N+](=O)[O-])ccc1F ZINC000805606563 668899002 /nfs/dbraw/zinc/89/90/02/668899002.db2.gz ZNVSHXMGIQGGBH-UHFFFAOYSA-N -1 3 309.213 0.648 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1O ZINC001576365100 1164316397 /nfs/dbraw/zinc/31/63/97/1164316397.db2.gz NYIVDDPJPHNOST-XVKPBYJWSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@@H]1O ZINC001576365100 1164316399 /nfs/dbraw/zinc/31/63/99/1164316399.db2.gz NYIVDDPJPHNOST-XVKPBYJWSA-N -1 3 305.298 0.377 20 5 DCBDHM CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588872257 1166613443 /nfs/dbraw/zinc/61/34/43/1166613443.db2.gz KVIFYRVKARVVKC-AOOOYVTPSA-N -1 3 317.309 0.854 20 5 DCBDHM CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588872257 1166613448 /nfs/dbraw/zinc/61/34/48/1166613448.db2.gz KVIFYRVKARVVKC-AOOOYVTPSA-N -1 3 317.309 0.854 20 5 DCBDHM CC(C)(C)OC(=O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589155698 1166638327 /nfs/dbraw/zinc/63/83/27/1166638327.db2.gz GUDOIONMQHDILE-UHFFFAOYSA-N -1 3 321.297 0.924 20 5 DCBDHM CC(C)(C)OC(=O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589155698 1166638328 /nfs/dbraw/zinc/63/83/28/1166638328.db2.gz GUDOIONMQHDILE-UHFFFAOYSA-N -1 3 321.297 0.924 20 5 DCBDHM C[C@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(=O)N1 ZINC001590315891 1166860870 /nfs/dbraw/zinc/86/08/70/1166860870.db2.gz YTGFODDUDSAWKR-LURJTMIESA-N -1 3 321.272 0.239 20 5 DCBDHM C[C@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(=O)N1 ZINC001590315891 1166860877 /nfs/dbraw/zinc/86/08/77/1166860877.db2.gz YTGFODDUDSAWKR-LURJTMIESA-N -1 3 321.272 0.239 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590334588 1166873199 /nfs/dbraw/zinc/87/31/99/1166873199.db2.gz RPNYSCKWXJOXMR-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590334588 1166873204 /nfs/dbraw/zinc/87/32/04/1166873204.db2.gz RPNYSCKWXJOXMR-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM CCN(CCC(=O)NC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590691855 1166975928 /nfs/dbraw/zinc/97/59/28/1166975928.db2.gz MKMVALBVMBYHGC-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCN(CCC(=O)NC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590691855 1166975931 /nfs/dbraw/zinc/97/59/31/1166975931.db2.gz MKMVALBVMBYHGC-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CN(C)C(=O)OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591004754 1167072927 /nfs/dbraw/zinc/07/29/27/1167072927.db2.gz PCDLEDNDVGPXBK-UHFFFAOYSA-N -1 3 321.297 0.885 20 5 DCBDHM CN(C)C(=O)OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591004754 1167072930 /nfs/dbraw/zinc/07/29/30/1167072930.db2.gz PCDLEDNDVGPXBK-UHFFFAOYSA-N -1 3 321.297 0.885 20 5 DCBDHM COC(=O)[C@@H](C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591228965 1167168348 /nfs/dbraw/zinc/16/83/48/1167168348.db2.gz LJGPHCJWTMVVRS-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@@H](C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591228965 1167168356 /nfs/dbraw/zinc/16/83/56/1167168356.db2.gz LJGPHCJWTMVVRS-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591254204 1167178892 /nfs/dbraw/zinc/17/88/92/1167178892.db2.gz XEQURVVEAUQCMP-VIFPVBQESA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591254204 1167178898 /nfs/dbraw/zinc/17/88/98/1167178898.db2.gz XEQURVVEAUQCMP-VIFPVBQESA-N -1 3 318.293 0.774 20 5 DCBDHM COC[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001591378086 1167250106 /nfs/dbraw/zinc/25/01/06/1167250106.db2.gz QPEVLONNUHFYRA-QMMMGPOBSA-N -1 3 308.298 0.848 20 5 DCBDHM COC[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001591378086 1167250111 /nfs/dbraw/zinc/25/01/11/1167250111.db2.gz QPEVLONNUHFYRA-QMMMGPOBSA-N -1 3 308.298 0.848 20 5 DCBDHM Cc1cc(N2CC[C@H](O)[C@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002257 1167433202 /nfs/dbraw/zinc/43/32/02/1167433202.db2.gz QKELFXDPCYKYHN-SKDRFNHKSA-N -1 3 322.300 0.992 20 5 DCBDHM Cc1cc(N2CC[C@H](O)[C@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002257 1167433204 /nfs/dbraw/zinc/43/32/04/1167433204.db2.gz QKELFXDPCYKYHN-SKDRFNHKSA-N -1 3 322.300 0.992 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001592588736 1167573714 /nfs/dbraw/zinc/57/37/14/1167573714.db2.gz GBYCZMSDMMAFJI-UHFFFAOYSA-N -1 3 317.269 0.099 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001592588736 1167573717 /nfs/dbraw/zinc/57/37/17/1167573717.db2.gz GBYCZMSDMMAFJI-UHFFFAOYSA-N -1 3 317.269 0.099 20 5 DCBDHM O=C1C[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1 ZINC001593385529 1167797210 /nfs/dbraw/zinc/79/72/10/1167797210.db2.gz LZNQOJQSHNKIHS-SSDOTTSWSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C1C[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1 ZINC001593385529 1167797228 /nfs/dbraw/zinc/79/72/28/1167797228.db2.gz LZNQOJQSHNKIHS-SSDOTTSWSA-N -1 3 318.297 0.108 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCn2nccc2C1 ZINC001593469671 1167857299 /nfs/dbraw/zinc/85/72/99/1167857299.db2.gz AQZKFXDCXYWUME-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCn2nccc2C1 ZINC001593469671 1167857304 /nfs/dbraw/zinc/85/73/04/1167857304.db2.gz AQZKFXDCXYWUME-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CC[C@H](O)CC1 ZINC001593473091 1167862704 /nfs/dbraw/zinc/86/27/04/1167862704.db2.gz JTYINZNRSYVZIN-KYZUINATSA-N -1 3 305.298 0.885 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CC[C@H](O)CC1 ZINC001593473091 1167862710 /nfs/dbraw/zinc/86/27/10/1167862710.db2.gz JTYINZNRSYVZIN-KYZUINATSA-N -1 3 305.298 0.885 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCO[C@H]1CCOC1 ZINC001593483589 1167866117 /nfs/dbraw/zinc/86/61/17/1167866117.db2.gz WWSPHHVHORBDCF-VIFPVBQESA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCO[C@H]1CCOC1 ZINC001593483589 1167866122 /nfs/dbraw/zinc/86/61/22/1167866122.db2.gz WWSPHHVHORBDCF-VIFPVBQESA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cnn(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001593487371 1167873179 /nfs/dbraw/zinc/87/31/79/1167873179.db2.gz KFXHIVHPGLSCJL-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1cnn(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001593487371 1167873189 /nfs/dbraw/zinc/87/31/89/1167873189.db2.gz KFXHIVHPGLSCJL-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603695585 1169359257 /nfs/dbraw/zinc/35/92/57/1169359257.db2.gz MGTVSVRACAYNQK-YUMQZZPRSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603695585 1169359264 /nfs/dbraw/zinc/35/92/64/1169359264.db2.gz MGTVSVRACAYNQK-YUMQZZPRSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@]1(O)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603819102 1169402601 /nfs/dbraw/zinc/40/26/01/1169402601.db2.gz CXLVGAUZPVXMLT-GFCCVEGCSA-N -1 3 308.273 0.875 20 5 DCBDHM C[C@@]1(O)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603819102 1169402606 /nfs/dbraw/zinc/40/26/06/1169402606.db2.gz CXLVGAUZPVXMLT-GFCCVEGCSA-N -1 3 308.273 0.875 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC001603910815 1169432387 /nfs/dbraw/zinc/43/23/87/1169432387.db2.gz XVCLIQFFTLTGBL-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O ZINC001603910815 1169432392 /nfs/dbraw/zinc/43/23/92/1169432392.db2.gz XVCLIQFFTLTGBL-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H]1O ZINC001604112722 1169495082 /nfs/dbraw/zinc/49/50/82/1169495082.db2.gz ZDNXYTDIBYMNCJ-GMSGAONNSA-N -1 3 319.325 0.564 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H]1O ZINC001604112722 1169495085 /nfs/dbraw/zinc/49/50/85/1169495085.db2.gz ZDNXYTDIBYMNCJ-GMSGAONNSA-N -1 3 319.325 0.564 20 5 DCBDHM CCOCC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604426759 1169590206 /nfs/dbraw/zinc/59/02/06/1169590206.db2.gz MLMOSJUIRJHKMR-SNVBAGLBSA-N -1 3 323.309 0.941 20 5 DCBDHM CCOCC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604426759 1169590217 /nfs/dbraw/zinc/59/02/17/1169590217.db2.gz MLMOSJUIRJHKMR-SNVBAGLBSA-N -1 3 323.309 0.941 20 5 DCBDHM CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC001604650434 1169643619 /nfs/dbraw/zinc/64/36/19/1169643619.db2.gz JVSBHXXALRVUEM-UHFFFAOYSA-N -1 3 314.265 0.775 20 5 DCBDHM CO[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC001605148166 1169846675 /nfs/dbraw/zinc/84/66/75/1169846675.db2.gz VWNZREPDLVKTBC-VXGBXAGGSA-N -1 3 320.309 0.279 20 5 DCBDHM CO[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC001605148166 1169846684 /nfs/dbraw/zinc/84/66/84/1169846684.db2.gz VWNZREPDLVKTBC-VXGBXAGGSA-N -1 3 320.309 0.279 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](O)[C@@H](F)C1 ZINC001607083222 1170384046 /nfs/dbraw/zinc/38/40/46/1170384046.db2.gz BJMOOOLGSPFQHC-WCBMZHEXSA-N -1 3 308.273 0.684 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](O)[C@@H](F)C1 ZINC001607083222 1170384054 /nfs/dbraw/zinc/38/40/54/1170384054.db2.gz BJMOOOLGSPFQHC-WCBMZHEXSA-N -1 3 308.273 0.684 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609153629 1170828115 /nfs/dbraw/zinc/82/81/15/1170828115.db2.gz YVXIPZVNJWYXRK-MRVPVSSYSA-N -1 3 317.309 0.395 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609153629 1170828119 /nfs/dbraw/zinc/82/81/19/1170828119.db2.gz YVXIPZVNJWYXRK-MRVPVSSYSA-N -1 3 317.309 0.395 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609152430 1170828327 /nfs/dbraw/zinc/82/83/27/1170828327.db2.gz DEURFOUABTYOSP-SSDOTTSWSA-N -1 3 303.282 0.399 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609152430 1170828332 /nfs/dbraw/zinc/82/83/32/1170828332.db2.gz DEURFOUABTYOSP-SSDOTTSWSA-N -1 3 303.282 0.399 20 5 DCBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(=O)N1C ZINC001609175216 1170846700 /nfs/dbraw/zinc/84/67/00/1170846700.db2.gz KKGYZXUCSNXWRL-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(=O)N1C ZINC001609175216 1170846707 /nfs/dbraw/zinc/84/67/07/1170846707.db2.gz KKGYZXUCSNXWRL-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM CCN(CC(=O)OC)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609221429 1170879038 /nfs/dbraw/zinc/87/90/38/1170879038.db2.gz ACJOWCXHLRFLSF-UHFFFAOYSA-N -1 3 320.309 0.770 20 5 DCBDHM CCN(CC(=O)OC)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609221429 1170879048 /nfs/dbraw/zinc/87/90/48/1170879048.db2.gz ACJOWCXHLRFLSF-UHFFFAOYSA-N -1 3 320.309 0.770 20 5 DCBDHM CCn1cnnc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609258463 1170900634 /nfs/dbraw/zinc/90/06/34/1170900634.db2.gz JQBWDNRRTXFIHP-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1cnnc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609258463 1170900652 /nfs/dbraw/zinc/90/06/52/1170900652.db2.gz JQBWDNRRTXFIHP-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM O=C(NCc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])[nH]1 ZINC001609554892 1171022209 /nfs/dbraw/zinc/02/22/09/1171022209.db2.gz PWFJLOHCASGIGV-UHFFFAOYSA-N -1 3 314.265 0.428 20 5 DCBDHM O=C(NCc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])[nH]1 ZINC001609554892 1171022211 /nfs/dbraw/zinc/02/22/11/1171022211.db2.gz PWFJLOHCASGIGV-UHFFFAOYSA-N -1 3 314.265 0.428 20 5 DCBDHM CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610132053 1171166543 /nfs/dbraw/zinc/16/65/43/1171166543.db2.gz BJBVXBPTFLUSSS-JTQLQIEISA-N -1 3 301.343 0.297 20 5 DCBDHM Cc1n[nH]c(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC001641693319 1171925866 /nfs/dbraw/zinc/92/58/66/1171925866.db2.gz MNFCKHFKQIPNFP-UHFFFAOYSA-N -1 3 304.266 0.586 20 5 DCBDHM Cc1[nH]nc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC001641693319 1171925871 /nfs/dbraw/zinc/92/58/71/1171925871.db2.gz MNFCKHFKQIPNFP-UHFFFAOYSA-N -1 3 304.266 0.586 20 5 DCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1c[n-][nH]c1=O ZINC001647859431 1173058805 /nfs/dbraw/zinc/05/88/05/1173058805.db2.gz QTWSKGAPMHEFLG-LLVKDONJSA-N -1 3 304.306 0.766 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)c([N+](=O)[O-])s1 ZINC001664214438 1174410456 /nfs/dbraw/zinc/41/04/56/1174410456.db2.gz CDLQTPQAEIWTNF-IYSWYEEDSA-N -1 3 320.348 0.947 20 5 DCBDHM C[C@@H]1C(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)N1C ZINC001167406227 747164295 /nfs/dbraw/zinc/16/42/95/747164295.db2.gz ZKCWZWIUHNQWLP-ZCFIWIBFSA-N -1 3 307.266 0.104 20 5 DCBDHM CN(CCNC(=O)Cc1cc[nH]n1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099974937 763180451 /nfs/dbraw/zinc/18/04/51/763180451.db2.gz QSCFFDGSZQINRN-UHFFFAOYSA-N -1 3 320.309 0.214 20 5 DCBDHM CC(=O)N(C)CCOCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001091872808 768152259 /nfs/dbraw/zinc/15/22/59/768152259.db2.gz JCWKCCBCAYCEKM-UHFFFAOYSA-N -1 3 312.326 0.627 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001101504978 764120812 /nfs/dbraw/zinc/12/08/12/764120812.db2.gz NWZPNJZWMSAMPY-UHFFFAOYSA-N -1 3 306.282 0.603 20 5 DCBDHM CN(CCOCCNC(=O)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001115164833 765618168 /nfs/dbraw/zinc/61/81/68/765618168.db2.gz MPBJGQJEPLUNPE-UHFFFAOYSA-N -1 3 324.337 0.674 20 5 DCBDHM Cn1cccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093524264 768601133 /nfs/dbraw/zinc/60/11/33/768601133.db2.gz XEVNWKUOFVFKBR-UHFFFAOYSA-N -1 3 305.294 0.876 20 5 DCBDHM O=C(Cc1ccon1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093538835 768615316 /nfs/dbraw/zinc/61/53/16/768615316.db2.gz QRDAQXAODNWQTF-UHFFFAOYSA-N -1 3 307.266 0.454 20 5 DCBDHM Cc1n[nH]cc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094696138 769199428 /nfs/dbraw/zinc/19/94/28/769199428.db2.gz BBGPTOUSLADQBN-UHFFFAOYSA-N -1 3 320.309 0.959 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001156280087 770772336 /nfs/dbraw/zinc/77/23/36/770772336.db2.gz XISMDRRIDLLSBL-QMMMGPOBSA-N -1 3 321.293 0.700 20 5 DCBDHM COc1nc(Nc2cnc(C)[n-]c2=O)nc(OC)c1[N+](=O)[O-] ZINC001162300777 772355385 /nfs/dbraw/zinc/35/53/85/772355385.db2.gz LQLGKFLLQWHMMJ-ZCFIWIBFSA-N -1 3 308.254 0.212 20 5 DCBDHM Cc1nc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n[nH]1 ZINC001163642980 772550937 /nfs/dbraw/zinc/55/09/37/772550937.db2.gz OLGKTBRLNCFHPO-UHFFFAOYSA-N -1 3 305.298 0.449 20 5 DCBDHM COc1c([O-])ccc(CN2CC3(C2)CNC(=O)O3)c1[N+](=O)[O-] ZINC001206350999 773069899 /nfs/dbraw/zinc/06/98/99/773069899.db2.gz QCWNWXZHYHFGSY-UHFFFAOYSA-N -1 3 309.278 0.603 20 5 DCBDHM CN(CCCNC(=O)c1cnco1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095692577 775306346 /nfs/dbraw/zinc/30/63/46/775306346.db2.gz BAWDFHSREOHYPV-UHFFFAOYSA-N -1 3 321.293 0.940 20 5 DCBDHM O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225666003 775705370 /nfs/dbraw/zinc/70/53/70/775705370.db2.gz FEWJFUIAQMWPGJ-LURJTMIESA-N -1 3 323.221 0.640 20 5 DCBDHM Cc1nc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c(C)c(=O)[n-]1 ZINC001229684993 776213047 /nfs/dbraw/zinc/21/30/47/776213047.db2.gz ICYCRUUVNIASJU-QMMMGPOBSA-N -1 3 307.266 0.744 20 5 DCBDHM C[C@H](C[S@](C)=O)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603571896 1169325895 /nfs/dbraw/zinc/32/58/95/1169325895.db2.gz KHYPWFDNYCPSFP-QFWYVNQISA-N -1 3 310.339 0.954 20 5 DCBDHM Cc1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc(C)n1 ZINC001329125638 949378265 /nfs/dbraw/zinc/37/82/65/949378265.db2.gz AVGBYRPNHQAVQN-UHFFFAOYSA-N -1 3 311.323 0.563 20 5 DCBDHM O=c1[n-]ccc(NC[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC001333727346 952141844 /nfs/dbraw/zinc/14/18/44/952141844.db2.gz XKZAHEKVOBSWQE-MRVPVSSYSA-N -1 3 301.324 0.932 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575184801 952423920 /nfs/dbraw/zinc/42/39/20/952423920.db2.gz CRSDICVNYZYVMI-NBIFTCQSSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575184801 952423922 /nfs/dbraw/zinc/42/39/22/952423922.db2.gz CRSDICVNYZYVMI-NBIFTCQSSA-N -1 3 311.327 0.349 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)n1 ZINC001450671047 1015287184 /nfs/dbraw/zinc/28/71/84/1015287184.db2.gz ZLPFGBVORPCVAB-UHFFFAOYSA-N -1 3 308.298 0.197 20 5 DCBDHM CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001598607458 993692764 /nfs/dbraw/zinc/69/27/64/993692764.db2.gz PFNBMCACMCYSRP-LBPRGKRZSA-N -1 3 321.333 0.612 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccncc1[N+](=O)[O-] ZINC001465945927 1016036180 /nfs/dbraw/zinc/03/61/80/1016036180.db2.gz TUBSIURNFJRKOD-QMMMGPOBSA-N -1 3 306.282 0.045 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC001469713570 1016356116 /nfs/dbraw/zinc/35/61/16/1016356116.db2.gz ANBBXPYGZCYJAJ-MRVPVSSYSA-N -1 3 320.309 0.870 20 5 DCBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001472080708 1016719903 /nfs/dbraw/zinc/71/99/03/1016719903.db2.gz WTHGFFNSJJYEMT-JTQLQIEISA-N -1 3 307.306 0.503 20 5 DCBDHM Cn1[nH]c(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)nc1=N ZINC001458484445 1012189971 /nfs/dbraw/zinc/18/99/71/1012189971.db2.gz NPCWVTDAHLZSFV-UHFFFAOYSA-N -1 3 319.325 0.620 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000286809793 219177063 /nfs/dbraw/zinc/17/70/63/219177063.db2.gz KZBWGLVJGFYUNF-ZETCQYMHSA-N -1 3 321.297 0.529 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000286809793 219177066 /nfs/dbraw/zinc/17/70/66/219177066.db2.gz KZBWGLVJGFYUNF-ZETCQYMHSA-N -1 3 321.297 0.529 20 5 DCBDHM CCN1CCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000288385000 220123715 /nfs/dbraw/zinc/12/37/15/220123715.db2.gz YAIIAJBGVGMBBK-UHFFFAOYSA-N -1 3 323.353 0.063 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000336866574 296226320 /nfs/dbraw/zinc/22/63/20/296226320.db2.gz IQSKOINZJSZEPE-CQSZACIVSA-N -1 3 318.289 0.409 20 5 DCBDHM COCCn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000340723631 253295342 /nfs/dbraw/zinc/29/53/42/253295342.db2.gz FKZXYMPGYGHMMW-UHFFFAOYSA-N -1 3 307.266 0.791 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000346257804 254028428 /nfs/dbraw/zinc/02/84/28/254028428.db2.gz XALDKOZDAIATMC-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000346257804 254028429 /nfs/dbraw/zinc/02/84/29/254028429.db2.gz XALDKOZDAIATMC-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n[n-]1 ZINC000346257804 254028430 /nfs/dbraw/zinc/02/84/30/254028430.db2.gz XALDKOZDAIATMC-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM O=c1nc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)[nH][n-]1 ZINC000289567367 221073372 /nfs/dbraw/zinc/07/33/72/221073372.db2.gz YGWJGUWWKQNUHG-SECBINFHSA-N -1 3 307.314 0.082 20 5 DCBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000416570486 533521841 /nfs/dbraw/zinc/52/18/41/533521841.db2.gz NDABEOWLTKUFGQ-GXSJLCMTSA-N -1 3 316.335 0.595 20 5 DCBDHM CCC(=O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275340394 130306931 /nfs/dbraw/zinc/30/69/31/130306931.db2.gz DQOUWJFHMVDCLE-UHFFFAOYSA-N -1 3 320.298 1.000 20 5 DCBDHM NC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000014332351 395689408 /nfs/dbraw/zinc/68/94/08/395689408.db2.gz WXULXKBRPUFXJI-UHFFFAOYSA-N -1 3 323.290 0.432 20 5 DCBDHM COC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032402565 395710652 /nfs/dbraw/zinc/71/06/52/395710652.db2.gz YFHYTYYFKQQKNZ-QMMMGPOBSA-N -1 3 304.324 0.917 20 5 DCBDHM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000045741509 395765446 /nfs/dbraw/zinc/76/54/46/395765446.db2.gz CLIQOQIOGNACTK-SECBINFHSA-N -1 3 313.335 0.542 20 5 DCBDHM COCCN(C)CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272510831 395895643 /nfs/dbraw/zinc/89/56/43/395895643.db2.gz GBIOCTFQZGDICW-UHFFFAOYSA-N -1 3 311.338 0.999 20 5 DCBDHM COCCn1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000273506337 395926291 /nfs/dbraw/zinc/92/62/91/395926291.db2.gz OOWQZEGMTIWPLJ-UHFFFAOYSA-N -1 3 307.266 0.791 20 5 DCBDHM COC[C@@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000071270731 396111831 /nfs/dbraw/zinc/11/18/31/396111831.db2.gz VFAQTRFVKUEBBV-JTQLQIEISA-N -1 3 304.324 0.022 20 5 DCBDHM CC(C)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280831931 396224961 /nfs/dbraw/zinc/22/49/61/396224961.db2.gz TUUVOFDIMULULB-UHFFFAOYSA-N -1 3 315.351 0.740 20 5 DCBDHM NC(=O)[N-]C(=O)OCCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000269362998 396409947 /nfs/dbraw/zinc/40/99/47/396409947.db2.gz NEINLGMDFKXOSY-UHFFFAOYSA-N -1 3 318.673 0.605 20 5 DCBDHM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000270236314 396463405 /nfs/dbraw/zinc/46/34/05/396463405.db2.gz RMMVOVQPCVHPFP-MRVPVSSYSA-N -1 3 322.364 0.306 20 5 DCBDHM O=C1NCCN1[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596091097 396716679 /nfs/dbraw/zinc/71/66/79/396716679.db2.gz HVJBZFSLLCDIBX-SECBINFHSA-N -1 3 307.310 0.689 20 5 DCBDHM CN(C)C(=O)Cn1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596107965 396718186 /nfs/dbraw/zinc/71/81/86/396718186.db2.gz KCKDRBASWSPLKI-UHFFFAOYSA-N -1 3 306.282 0.724 20 5 DCBDHM CCN1CCN(C(=O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596110383 396718199 /nfs/dbraw/zinc/71/81/99/396718199.db2.gz MQFOYVQCGXZJHC-UHFFFAOYSA-N -1 3 309.326 0.271 20 5 DCBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000121564277 158211936 /nfs/dbraw/zinc/21/19/36/158211936.db2.gz UJLVLAZSRVKCRO-UHFFFAOYSA-N -1 3 311.323 0.708 20 5 DCBDHM CCOC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000314986921 159000302 /nfs/dbraw/zinc/00/03/02/159000302.db2.gz RBTPPFYDCQHEDY-SECBINFHSA-N -1 3 322.314 0.410 20 5 DCBDHM COc1cc(CNC[C@@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1[O-] ZINC000353690972 415627954 /nfs/dbraw/zinc/62/79/54/415627954.db2.gz SLOBMKXGTPXGRO-WDEREUQCSA-N -1 3 312.322 0.939 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000343440180 415600200 /nfs/dbraw/zinc/60/02/00/415600200.db2.gz IMXYFVSMQVRJIO-QMMMGPOBSA-N -1 3 322.364 0.658 20 5 DCBDHM Cn1c(C(=O)Nc2nnc(SCCO)[n-]2)ccc1[N+](=O)[O-] ZINC000343856860 415751188 /nfs/dbraw/zinc/75/11/88/415751188.db2.gz YZWVVSNZOXNNIA-UHFFFAOYSA-N -1 3 312.311 0.388 20 5 DCBDHM Cn1c(C(=O)Nc2nc(SCCO)n[n-]2)ccc1[N+](=O)[O-] ZINC000343856860 415751192 /nfs/dbraw/zinc/75/11/92/415751192.db2.gz YZWVVSNZOXNNIA-UHFFFAOYSA-N -1 3 312.311 0.388 20 5 DCBDHM Cn1c(C(=O)Nc2n[n-]c(SCCO)n2)ccc1[N+](=O)[O-] ZINC000343856860 415751196 /nfs/dbraw/zinc/75/11/96/415751196.db2.gz YZWVVSNZOXNNIA-UHFFFAOYSA-N -1 3 312.311 0.388 20 5 DCBDHM CCn1cnnc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000356203276 415877560 /nfs/dbraw/zinc/87/75/60/415877560.db2.gz IIQZMFJMKCJBHU-UHFFFAOYSA-N -1 3 301.266 1.335 20 5 DCBDHM COC[C@H](CCO)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357507171 416090723 /nfs/dbraw/zinc/09/07/23/416090723.db2.gz WWHYWSGOQSWVHX-JTQLQIEISA-N -1 3 308.294 1.454 20 5 DCBDHM COC(=O)c1cc([N-]C(=O)c2cn(C)nn2)cc([N+](=O)[O-])c1 ZINC000342280407 416305696 /nfs/dbraw/zinc/30/56/96/416305696.db2.gz MGNYWYNPQMIJHV-UHFFFAOYSA-N -1 3 305.250 0.762 20 5 DCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000358947361 416296772 /nfs/dbraw/zinc/29/67/72/416296772.db2.gz CQYXHICQTOOPDV-UHFFFAOYSA-N -1 3 318.293 0.493 20 5 DCBDHM Cc1n[nH]c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000540424180 416589414 /nfs/dbraw/zinc/58/94/14/416589414.db2.gz IBCMTHQNOXDIKR-ZETCQYMHSA-N -1 3 306.286 0.159 20 5 DCBDHM Cc1[nH]nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000540424180 416589418 /nfs/dbraw/zinc/58/94/18/416589418.db2.gz IBCMTHQNOXDIKR-ZETCQYMHSA-N -1 3 306.286 0.159 20 5 DCBDHM Cc1n[nH]c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000540424180 416589421 /nfs/dbraw/zinc/58/94/21/416589421.db2.gz IBCMTHQNOXDIKR-ZETCQYMHSA-N -1 3 306.286 0.159 20 5 DCBDHM Cc1[nH]nc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000540424180 416589424 /nfs/dbraw/zinc/58/94/24/416589424.db2.gz IBCMTHQNOXDIKR-ZETCQYMHSA-N -1 3 306.286 0.159 20 5 DCBDHM COC[C@H](C)n1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445210234 416888831 /nfs/dbraw/zinc/88/88/31/416888831.db2.gz HOMHPFANFQYERJ-QMMMGPOBSA-N -1 3 321.293 1.352 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000523694690 417093779 /nfs/dbraw/zinc/09/37/79/417093779.db2.gz PCKPKXKJLZVKJG-NSHDSACASA-N -1 3 308.269 0.976 20 5 DCBDHM O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000452347760 417469590 /nfs/dbraw/zinc/46/95/90/417469590.db2.gz JQRDKDDQKHBCSW-GFCCVEGCSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000452347763 417470476 /nfs/dbraw/zinc/47/04/76/417470476.db2.gz JQRDKDDQKHBCSW-LBPRGKRZSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000363027976 262095376 /nfs/dbraw/zinc/09/53/76/262095376.db2.gz KCDPSIDWFMRSFD-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000363027976 262095379 /nfs/dbraw/zinc/09/53/79/262095379.db2.gz KCDPSIDWFMRSFD-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM COC[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000394609108 337123063 /nfs/dbraw/zinc/12/30/63/337123063.db2.gz AEASSEJOFQLWON-LBPRGKRZSA-N -1 3 318.351 0.579 20 5 DCBDHM COC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736975668 598853870 /nfs/dbraw/zinc/85/38/70/598853870.db2.gz BIDPCOXYXVZBTN-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736975668 598853872 /nfs/dbraw/zinc/85/38/72/598853872.db2.gz BIDPCOXYXVZBTN-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM CC(C)C(=O)NCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820012315 599254241 /nfs/dbraw/zinc/25/42/41/599254241.db2.gz ZBDPPGSIKOWHDR-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM CC(C)C(=O)NCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820012315 599254244 /nfs/dbraw/zinc/25/42/44/599254244.db2.gz ZBDPPGSIKOWHDR-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM COC(=O)[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736890529 598299044 /nfs/dbraw/zinc/29/90/44/598299044.db2.gz ALWNSHJOUUPLOO-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736890529 598299045 /nfs/dbraw/zinc/29/90/45/598299045.db2.gz ALWNSHJOUUPLOO-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000738194681 598380532 /nfs/dbraw/zinc/38/05/32/598380532.db2.gz IGWOVBVHAUOUQB-UHFFFAOYSA-N -1 3 311.261 0.844 20 5 DCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000738194681 598380534 /nfs/dbraw/zinc/38/05/34/598380534.db2.gz IGWOVBVHAUOUQB-UHFFFAOYSA-N -1 3 311.261 0.844 20 5 DCBDHM CN(C[C@@H]1CCCO1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736792861 598500798 /nfs/dbraw/zinc/50/07/98/598500798.db2.gz SVNABEAMRYUGKA-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CN(C[C@@H]1CCCO1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736792861 598500799 /nfs/dbraw/zinc/50/07/99/598500799.db2.gz SVNABEAMRYUGKA-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM C[S@@](=O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737172858 598628435 /nfs/dbraw/zinc/62/84/35/598628435.db2.gz KTXLVHPFAKSBLW-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM C[S@@](=O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737172858 598628436 /nfs/dbraw/zinc/62/84/36/598628436.db2.gz KTXLVHPFAKSBLW-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM COCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821689601 606164790 /nfs/dbraw/zinc/16/47/90/606164790.db2.gz FFUAPLKCXQIFLR-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM COCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821689601 606164792 /nfs/dbraw/zinc/16/47/92/606164792.db2.gz FFUAPLKCXQIFLR-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821595507 606200444 /nfs/dbraw/zinc/20/04/44/606200444.db2.gz ZLHHUAOHMMYVPP-JTQLQIEISA-N -1 3 305.298 0.377 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821595507 606200445 /nfs/dbraw/zinc/20/04/45/606200445.db2.gz ZLHHUAOHMMYVPP-JTQLQIEISA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)N(C)C ZINC000821994897 606427929 /nfs/dbraw/zinc/42/79/29/606427929.db2.gz OTMXOOXXDHMLTC-SSDOTTSWSA-N -1 3 305.298 0.664 20 5 DCBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)N(C)C ZINC000821994897 606427930 /nfs/dbraw/zinc/42/79/30/606427930.db2.gz OTMXOOXXDHMLTC-SSDOTTSWSA-N -1 3 305.298 0.664 20 5 DCBDHM CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000819796882 606644137 /nfs/dbraw/zinc/64/41/37/606644137.db2.gz QHTZTMKOYGFWRB-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCC[C@H](CO)C2)ccc1-c1nnn[n-]1 ZINC000823635328 606644613 /nfs/dbraw/zinc/64/46/13/606644613.db2.gz VVCSKBTYXWOGLT-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc([N+](=O)[O-])n1 ZINC000826174297 608265082 /nfs/dbraw/zinc/26/50/82/608265082.db2.gz QXJAINMHGUGEMN-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc([N+](=O)[O-])n1 ZINC000826174297 608265083 /nfs/dbraw/zinc/26/50/83/608265083.db2.gz QXJAINMHGUGEMN-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM O=C(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)NCC1CC1 ZINC000826414672 609323322 /nfs/dbraw/zinc/32/33/22/609323322.db2.gz DYTSOLRAVYZWIE-UHFFFAOYSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)NCC1CC1 ZINC000826414672 609323325 /nfs/dbraw/zinc/32/33/25/609323325.db2.gz DYTSOLRAVYZWIE-UHFFFAOYSA-N -1 3 318.297 0.108 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000826363146 609507010 /nfs/dbraw/zinc/50/70/10/609507010.db2.gz ZRSZPMPOQZKDBT-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000826363146 609507011 /nfs/dbraw/zinc/50/70/11/609507011.db2.gz ZRSZPMPOQZKDBT-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824691285 609569365 /nfs/dbraw/zinc/56/93/65/609569365.db2.gz ZAHNFEYYTIDLER-RKDXNWHRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824691285 609569367 /nfs/dbraw/zinc/56/93/67/609569367.db2.gz ZAHNFEYYTIDLER-RKDXNWHRSA-N -1 3 304.310 0.982 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCCn2ccnn2)c(-c2nnn[n-]2)c1 ZINC000826500624 609599881 /nfs/dbraw/zinc/59/98/81/609599881.db2.gz FUNFDRRBJCWPFU-UHFFFAOYSA-N -1 3 316.285 0.264 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCCn2ccnn2)c(-c2nn[n-]n2)c1 ZINC000826500624 609599883 /nfs/dbraw/zinc/59/98/83/609599883.db2.gz FUNFDRRBJCWPFU-UHFFFAOYSA-N -1 3 316.285 0.264 20 5 DCBDHM NC(=O)Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1 ZINC000742227498 667786110 /nfs/dbraw/zinc/78/61/10/667786110.db2.gz NIIQGUNHQSWABH-UHFFFAOYSA-N -1 3 308.229 0.063 20 5 DCBDHM O=C1OCC[C@@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000751965697 668010491 /nfs/dbraw/zinc/01/04/91/668010491.db2.gz CHHOYRGECQPZRP-JTQLQIEISA-N -1 3 300.292 0.330 20 5 DCBDHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(C)o1 ZINC000813102636 670611116 /nfs/dbraw/zinc/61/11/16/670611116.db2.gz HUIZMQVFUNMLKZ-ZCFIWIBFSA-N -1 3 306.296 0.318 20 5 DCBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(C)(C)[N+](=O)[O-])c(C)o1 ZINC000851126057 670969946 /nfs/dbraw/zinc/96/99/46/670969946.db2.gz LKOSFNWTJNTLQA-UHFFFAOYSA-N -1 3 320.323 0.708 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001580448529 1165604890 /nfs/dbraw/zinc/60/48/90/1165604890.db2.gz XJDQMALNPPEBHC-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001580448529 1165604893 /nfs/dbraw/zinc/60/48/93/1165604893.db2.gz XJDQMALNPPEBHC-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM CC(C)(CO)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589292162 1166643834 /nfs/dbraw/zinc/64/38/34/1166643834.db2.gz GLVGHDJAIIEQAL-UHFFFAOYSA-N -1 3 321.293 0.837 20 5 DCBDHM CC(C)(CO)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589292162 1166643842 /nfs/dbraw/zinc/64/38/42/1166643842.db2.gz GLVGHDJAIIEQAL-UHFFFAOYSA-N -1 3 321.293 0.837 20 5 DCBDHM CC1(C(N)=O)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590072099 1166764802 /nfs/dbraw/zinc/76/48/02/1166764802.db2.gz DIEQYGFVDWQLQI-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM CC1(C(N)=O)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590072099 1166764808 /nfs/dbraw/zinc/76/48/08/1166764808.db2.gz DIEQYGFVDWQLQI-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1CO ZINC001590276348 1166838248 /nfs/dbraw/zinc/83/82/48/1166838248.db2.gz KMIGOGOMDDBBLT-IUCAKERBSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1CO ZINC001590276348 1166838253 /nfs/dbraw/zinc/83/82/53/1166838253.db2.gz KMIGOGOMDDBBLT-IUCAKERBSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC[C@H]1O ZINC001590314409 1166861380 /nfs/dbraw/zinc/86/13/80/1166861380.db2.gz QSZFFXDSCXTJLA-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC[C@H]1O ZINC001590314409 1166861385 /nfs/dbraw/zinc/86/13/85/1166861385.db2.gz QSZFFXDSCXTJLA-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591044442 1167091463 /nfs/dbraw/zinc/09/14/63/1167091463.db2.gz OQLIAWHGADDBKM-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@@H]1CCC[C@@H]1O)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591055475 1167096826 /nfs/dbraw/zinc/09/68/26/1167096826.db2.gz HJZYUWZKNDMZOJ-KWQFWETISA-N -1 3 319.325 0.767 20 5 DCBDHM CN(C[C@@H]1CCC[C@@H]1O)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591055475 1167096831 /nfs/dbraw/zinc/09/68/31/1167096831.db2.gz HJZYUWZKNDMZOJ-KWQFWETISA-N -1 3 319.325 0.767 20 5 DCBDHM CN1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001591193446 1167146069 /nfs/dbraw/zinc/14/60/69/1167146069.db2.gz ABZGFQWQMYHSIW-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM CN1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001591193446 1167146072 /nfs/dbraw/zinc/14/60/72/1167146072.db2.gz ABZGFQWQMYHSIW-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591206575 1167155167 /nfs/dbraw/zinc/15/51/67/1167155167.db2.gz CNHZLVIHFMQZIF-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591206575 1167155174 /nfs/dbraw/zinc/15/51/74/1167155174.db2.gz CNHZLVIHFMQZIF-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CON1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001591467782 1167299882 /nfs/dbraw/zinc/29/98/82/1167299882.db2.gz UZNDZRFAXYLFBP-UHFFFAOYSA-N -1 3 319.325 0.454 20 5 DCBDHM CON1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001591467782 1167299887 /nfs/dbraw/zinc/29/98/87/1167299887.db2.gz UZNDZRFAXYLFBP-UHFFFAOYSA-N -1 3 319.325 0.454 20 5 DCBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1ncc([N+](=O)[O-])n1 ZINC001591487385 1167311661 /nfs/dbraw/zinc/31/16/61/1167311661.db2.gz CFVVOASFXKMBLM-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1ncc([N+](=O)[O-])n1 ZINC001591487385 1167311667 /nfs/dbraw/zinc/31/16/67/1167311667.db2.gz CFVVOASFXKMBLM-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM Cc1cc(N2CC[C@@H](O)[C@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002254 1167432813 /nfs/dbraw/zinc/43/28/13/1167432813.db2.gz QKELFXDPCYKYHN-BXKDBHETSA-N -1 3 322.300 0.992 20 5 DCBDHM Cc1cc(N2CC[C@@H](O)[C@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002254 1167432815 /nfs/dbraw/zinc/43/28/15/1167432815.db2.gz QKELFXDPCYKYHN-BXKDBHETSA-N -1 3 322.300 0.992 20 5 DCBDHM Cc1cc(N2CCCNC(=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592005953 1167433186 /nfs/dbraw/zinc/43/31/86/1167433186.db2.gz LMZYEXVJICJWDF-UHFFFAOYSA-N -1 3 317.309 0.410 20 5 DCBDHM Cc1cc(N2CCCNC(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592005953 1167433188 /nfs/dbraw/zinc/43/31/88/1167433188.db2.gz LMZYEXVJICJWDF-UHFFFAOYSA-N -1 3 317.309 0.410 20 5 DCBDHM Cc1cc(NCc2nncn2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053692 1167446405 /nfs/dbraw/zinc/44/64/05/1167446405.db2.gz OZHVVTYLXPLIRD-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1cc(NCc2nncn2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053692 1167446410 /nfs/dbraw/zinc/44/64/10/1167446410.db2.gz OZHVVTYLXPLIRD-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1nnc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[nH]1 ZINC001592327027 1167488764 /nfs/dbraw/zinc/48/87/64/1167488764.db2.gz ZRPJMMWVFSXOIH-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(=O)s1 ZINC001592437411 1167522423 /nfs/dbraw/zinc/52/24/23/1167522423.db2.gz FWRUZRMOFSVMRF-UHFFFAOYSA-N -1 3 319.306 0.750 20 5 DCBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(=O)s1 ZINC001592437411 1167522425 /nfs/dbraw/zinc/52/24/25/1167522425.db2.gz FWRUZRMOFSVMRF-UHFFFAOYSA-N -1 3 319.306 0.750 20 5 DCBDHM Cn1ncc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001592601049 1167578852 /nfs/dbraw/zinc/57/88/52/1167578852.db2.gz DYOFHXUEGYGMAI-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476799 1167861941 /nfs/dbraw/zinc/86/19/41/1167861941.db2.gz ZUJBXYRQSJLWAG-NSHDSACASA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476799 1167861950 /nfs/dbraw/zinc/86/19/50/1167861950.db2.gz ZUJBXYRQSJLWAG-NSHDSACASA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCn3ncnc3C2)ccc1-c1nnn[n-]1 ZINC001593470630 1167864620 /nfs/dbraw/zinc/86/46/20/1167864620.db2.gz GRBJBAMBJGXPGO-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCO[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593478902 1167868908 /nfs/dbraw/zinc/86/89/08/1167868908.db2.gz PMKQOVRIFNOVCM-SNVBAGLBSA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCO[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593478902 1167868913 /nfs/dbraw/zinc/86/89/13/1167868913.db2.gz PMKQOVRIFNOVCM-SNVBAGLBSA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCS(=O)CC1 ZINC001593481544 1167869226 /nfs/dbraw/zinc/86/92/26/1167869226.db2.gz RKZLFAXVJSNCEI-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCS(=O)CC1 ZINC001593481544 1167869238 /nfs/dbraw/zinc/86/92/38/1167869238.db2.gz RKZLFAXVJSNCEI-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM O=[N+]([O-])c1cnn(CCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC001593487802 1167873943 /nfs/dbraw/zinc/87/39/43/1167873943.db2.gz QTXCIARKMUKOKE-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM O=[N+]([O-])c1cnn(CCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC001593487802 1167873955 /nfs/dbraw/zinc/87/39/55/1167873955.db2.gz QTXCIARKMUKOKE-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602947435 1169218577 /nfs/dbraw/zinc/21/85/77/1169218577.db2.gz MSDSEQXCZRTTRT-UHFFFAOYSA-N -1 3 305.298 0.631 20 5 DCBDHM CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602947435 1169218581 /nfs/dbraw/zinc/21/85/81/1169218581.db2.gz MSDSEQXCZRTTRT-UHFFFAOYSA-N -1 3 305.298 0.631 20 5 DCBDHM C[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC001603911076 1169431774 /nfs/dbraw/zinc/43/17/74/1169431774.db2.gz ZFKDSQZJNYFZHB-GMSGAONNSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001603911076 1169431775 /nfs/dbraw/zinc/43/17/75/1169431775.db2.gz ZFKDSQZJNYFZHB-GMSGAONNSA-N -1 3 305.298 0.377 20 5 DCBDHM CC[C@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604066997 1169485872 /nfs/dbraw/zinc/48/58/72/1169485872.db2.gz QIHIGKAXMJOLKE-ZETCQYMHSA-N -1 3 307.314 0.930 20 5 DCBDHM CC[C@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604066997 1169485903 /nfs/dbraw/zinc/48/59/03/1169485903.db2.gz QIHIGKAXMJOLKE-ZETCQYMHSA-N -1 3 307.314 0.930 20 5 DCBDHM COCC(COC)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605057271 1169799784 /nfs/dbraw/zinc/79/97/84/1169799784.db2.gz 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O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H](O)C2(CC2)C1 ZINC001607078072 1170381674 /nfs/dbraw/zinc/38/16/74/1170381674.db2.gz JHTZPKBYIXLFTF-LLVKDONJSA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)[C@H]1CCCO1 ZINC001607080633 1170384313 /nfs/dbraw/zinc/38/43/13/1170384313.db2.gz VUNKIDDMNFEQRF-NWDGAFQWSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)[C@H]1CCCO1 ZINC001607080633 1170384321 /nfs/dbraw/zinc/38/43/21/1170384321.db2.gz VUNKIDDMNFEQRF-NWDGAFQWSA-N -1 3 320.309 0.727 20 5 DCBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)n1 ZINC001607588802 1170481428 /nfs/dbraw/zinc/48/14/28/1170481428.db2.gz AWARILOJQXPKEC-VIFPVBQESA-N -1 3 322.321 0.564 20 5 DCBDHM Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607984388 1170539051 /nfs/dbraw/zinc/53/90/51/1170539051.db2.gz GERIZFZYGZMJMO-GFCCVEGCSA-N -1 3 312.326 0.257 20 5 DCBDHM CC(C)(O)C1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609085044 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DCBDHM Cc1c(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cccc1[N+](=O)[O-] ZINC000616489417 417061285 /nfs/dbraw/zinc/06/12/85/417061285.db2.gz DCFVXGMEKVBXJP-JTQLQIEISA-N -1 3 320.305 0.508 20 5 DCBDHM CCN1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000451866146 417408809 /nfs/dbraw/zinc/40/88/09/417408809.db2.gz KVAHRUJVHIBJLY-SECBINFHSA-N -1 3 313.335 0.494 20 5 DCBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000451940333 417417890 /nfs/dbraw/zinc/41/78/90/417417890.db2.gz XSMBEFXYYZENKI-QMMMGPOBSA-N -1 3 305.331 0.962 20 5 DCBDHM O=C(NC[C@@H]1CCCN1CCCO)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452361368 417473966 /nfs/dbraw/zinc/47/39/66/417473966.db2.gz JXXOEBNYSMTRLB-LBPRGKRZSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CCC1 ZINC000457215515 417697668 /nfs/dbraw/zinc/69/76/68/417697668.db2.gz WEOVCJOSFFWSQF-UHFFFAOYSA-N -1 3 313.335 0.542 20 5 DCBDHM NC(=O)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444860924 287432498 /nfs/dbraw/zinc/43/24/98/287432498.db2.gz RPTZAQMQRKFMFW-UHFFFAOYSA-N -1 3 316.273 0.976 20 5 DCBDHM Cc1ccc(-c2noc(C[C@H]3NC(=O)[N-]C3=O)n2)cc1[N+](=O)[O-] ZINC000355970335 261379984 /nfs/dbraw/zinc/37/99/84/261379984.db2.gz CRMROPZUQAWDRL-MRVPVSSYSA-N -1 3 317.261 0.704 20 5 DCBDHM COc1ccc(C(=O)Nc2[n-]nnc2C(N)=O)cc1[N+](=O)[O-] ZINC000362421128 262033709 /nfs/dbraw/zinc/03/37/09/262033709.db2.gz HCAMIBMYRRKHRC-UHFFFAOYSA-N -1 3 306.238 0.073 20 5 DCBDHM COc1ccc(C(=O)Nc2nn[n-]c2C(N)=O)cc1[N+](=O)[O-] ZINC000362421128 262033710 /nfs/dbraw/zinc/03/37/10/262033710.db2.gz HCAMIBMYRRKHRC-UHFFFAOYSA-N -1 3 306.238 0.073 20 5 DCBDHM COc1ccc(C(=O)Nc2n[n-]nc2C(N)=O)cc1[N+](=O)[O-] ZINC000362421128 262033711 /nfs/dbraw/zinc/03/37/11/262033711.db2.gz HCAMIBMYRRKHRC-UHFFFAOYSA-N -1 3 306.238 0.073 20 5 DCBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548621768 288160229 /nfs/dbraw/zinc/16/02/29/288160229.db2.gz BHAOZHBGISJDMB-JTQLQIEISA-N -1 3 314.367 0.752 20 5 DCBDHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3ccccc3[N+](=O)[O-])C2)N1 ZINC000192682326 280280185 /nfs/dbraw/zinc/28/01/85/280280185.db2.gz RBXWWTVCHGHUJU-AWEZNQCLSA-N -1 3 304.306 0.769 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)c(F)c1 ZINC000124582053 527377729 /nfs/dbraw/zinc/37/77/29/527377729.db2.gz QPQFXWJMQAAQGV-DTWKUNHWSA-N -1 3 316.310 0.949 20 5 DCBDHM Cn1cnc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1 ZINC000266274942 527489014 /nfs/dbraw/zinc/48/90/14/527489014.db2.gz HLUNAGDLEYKXAD-UHFFFAOYSA-N -1 3 310.335 0.849 20 5 DCBDHM CCn1cnnc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736722746 598499663 /nfs/dbraw/zinc/49/96/63/598499663.db2.gz RXBLVBVSHPEBRB-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1cnnc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736722746 598499664 /nfs/dbraw/zinc/49/96/64/598499664.db2.gz RXBLVBVSHPEBRB-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CN(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825845128 608212268 /nfs/dbraw/zinc/21/22/68/608212268.db2.gz CXXVZAOBXGESCU-UHFFFAOYSA-N -1 3 320.313 0.458 20 5 DCBDHM CN(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825845128 608212269 /nfs/dbraw/zinc/21/22/69/608212269.db2.gz CXXVZAOBXGESCU-UHFFFAOYSA-N -1 3 320.313 0.458 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824685817 609568443 /nfs/dbraw/zinc/56/84/43/609568443.db2.gz AJQMUYBHOLSMHG-SCZZXKLOSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824685817 609568446 /nfs/dbraw/zinc/56/84/46/609568446.db2.gz AJQMUYBHOLSMHG-SCZZXKLOSA-N -1 3 304.310 0.982 20 5 DCBDHM Cc1c(C(=O)NN2CC(=O)[N-]C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000921245532 665291820 /nfs/dbraw/zinc/29/18/20/665291820.db2.gz DSVLMQIPAPTXIK-UHFFFAOYSA-N -1 3 323.221 0.008 20 5 DCBDHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805604253 668895681 /nfs/dbraw/zinc/89/56/81/668895681.db2.gz AXSOUCGFZDGXAB-SSDOTTSWSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805604253 668895682 /nfs/dbraw/zinc/89/56/82/668895682.db2.gz AXSOUCGFZDGXAB-SSDOTTSWSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000805606690 668899096 /nfs/dbraw/zinc/89/90/96/668899096.db2.gz KLYWIPZWPUYGNY-SSDOTTSWSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000805606690 668899097 /nfs/dbraw/zinc/89/90/97/668899097.db2.gz KLYWIPZWPUYGNY-SSDOTTSWSA-N -1 3 305.250 0.897 20 5 DCBDHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(N)c([N+](=O)[O-])c1 ZINC000854486238 670576225 /nfs/dbraw/zinc/57/62/25/670576225.db2.gz RJGZQFDHVPOKQW-UHFFFAOYSA-N -1 3 319.321 0.871 20 5 DCBDHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854486803 670576595 /nfs/dbraw/zinc/57/65/95/670576595.db2.gz AFUSSMQDQHEMJZ-ZDUSSCGKSA-N -1 3 320.305 0.401 20 5 DCBDHM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845947568 672284447 /nfs/dbraw/zinc/28/44/47/672284447.db2.gz PWUOWFFFLIXAPK-SECBINFHSA-N -1 3 315.307 0.220 20 5 DCBDHM Cn1c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1-c1nnn[n-]1 ZINC001581751929 1165866910 /nfs/dbraw/zinc/86/69/10/1165866910.db2.gz ZQNMRUAKYKJGGL-UHFFFAOYSA-N -1 3 303.242 0.089 20 5 DCBDHM Cn1c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1-c1nn[n-]n1 ZINC001581751929 1165866920 /nfs/dbraw/zinc/86/69/20/1165866920.db2.gz ZQNMRUAKYKJGGL-UHFFFAOYSA-N -1 3 303.242 0.089 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCS(=O)CC1 ZINC001582804592 1166086142 /nfs/dbraw/zinc/08/61/42/1166086142.db2.gz WGNKXLNDPDBHHS-UHFFFAOYSA-N -1 3 322.350 0.339 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCS(=O)CC1 ZINC001582804592 1166086148 /nfs/dbraw/zinc/08/61/48/1166086148.db2.gz WGNKXLNDPDBHHS-UHFFFAOYSA-N -1 3 322.350 0.339 20 5 DCBDHM CC(=O)N[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001588872275 1166612556 /nfs/dbraw/zinc/61/25/56/1166612556.db2.gz MHQUHJOKUVKMFK-AOOOYVTPSA-N -1 3 317.309 0.854 20 5 DCBDHM CC(=O)N[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001588872275 1166612561 /nfs/dbraw/zinc/61/25/61/1166612561.db2.gz MHQUHJOKUVKMFK-AOOOYVTPSA-N -1 3 317.309 0.854 20 5 DCBDHM CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589480408 1166661235 /nfs/dbraw/zinc/66/12/35/1166661235.db2.gz MZQLCYDOWCOISW-VIFPVBQESA-N -1 3 307.314 0.786 20 5 DCBDHM CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589480408 1166661239 /nfs/dbraw/zinc/66/12/39/1166661239.db2.gz MZQLCYDOWCOISW-VIFPVBQESA-N -1 3 307.314 0.786 20 5 DCBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1CO ZINC001590274960 1166835865 /nfs/dbraw/zinc/83/58/65/1166835865.db2.gz TXUUYYOBLUQSHF-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1CO ZINC001590276347 1166837731 /nfs/dbraw/zinc/83/77/31/1166837731.db2.gz KMIGOGOMDDBBLT-DTWKUNHWSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1CO ZINC001590276347 1166837738 /nfs/dbraw/zinc/83/77/38/1166837738.db2.gz KMIGOGOMDDBBLT-DTWKUNHWSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@]1(C)CO ZINC001590317484 1166863321 /nfs/dbraw/zinc/86/33/21/1166863321.db2.gz AMPOHDCXQGRBQT-SDBXPKJASA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@]1(C)CO ZINC001590317484 1166863323 /nfs/dbraw/zinc/86/33/23/1166863323.db2.gz AMPOHDCXQGRBQT-SDBXPKJASA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CO[C@H](CO)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590323673 1166866299 /nfs/dbraw/zinc/86/62/99/1166866299.db2.gz NGOPCERZNJJYNU-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM CCCN(CC(N)=O)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590623502 1166952927 /nfs/dbraw/zinc/95/29/27/1166952927.db2.gz YWLZFADLDRLKJC-UHFFFAOYSA-N -1 3 319.325 0.472 20 5 DCBDHM CCCN(CC(N)=O)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590623502 1166952931 /nfs/dbraw/zinc/95/29/31/1166952931.db2.gz YWLZFADLDRLKJC-UHFFFAOYSA-N -1 3 319.325 0.472 20 5 DCBDHM CCN(CC)C(=O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590684300 1166973499 /nfs/dbraw/zinc/97/34/99/1166973499.db2.gz ZOAZPZUVFVDLOJ-UHFFFAOYSA-N -1 3 320.313 0.450 20 5 DCBDHM CCN(CC)C(=O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590684300 1166973504 /nfs/dbraw/zinc/97/35/04/1166973504.db2.gz ZOAZPZUVFVDLOJ-UHFFFAOYSA-N -1 3 320.313 0.450 20 5 DCBDHM CCNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590740433 1166999102 /nfs/dbraw/zinc/99/91/02/1166999102.db2.gz USIYIGGNZNETBQ-UHFFFAOYSA-N -1 3 319.325 0.656 20 5 DCBDHM CCNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590740433 1166999108 /nfs/dbraw/zinc/99/91/08/1166999108.db2.gz USIYIGGNZNETBQ-UHFFFAOYSA-N -1 3 319.325 0.656 20 5 DCBDHM CN(C)C(=O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591000658 1167069612 /nfs/dbraw/zinc/06/96/12/1167069612.db2.gz UWDHKVNVEZRARR-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CN(C)C(=O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591000658 1167069614 /nfs/dbraw/zinc/06/96/14/1167069614.db2.gz UWDHKVNVEZRARR-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591204239 1167153218 /nfs/dbraw/zinc/15/32/18/1167153218.db2.gz MCAOFDITGKILOZ-LURJTMIESA-N -1 3 323.288 0.851 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591204239 1167153222 /nfs/dbraw/zinc/15/32/22/1167153222.db2.gz MCAOFDITGKILOZ-LURJTMIESA-N -1 3 323.288 0.851 20 5 DCBDHM CNC(=O)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591206868 1167154710 /nfs/dbraw/zinc/15/47/10/1167154710.db2.gz MKTQXFUNLRQIOD-UHFFFAOYSA-N -1 3 320.313 0.295 20 5 DCBDHM CNC(=O)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591206868 1167154722 /nfs/dbraw/zinc/15/47/22/1167154722.db2.gz MKTQXFUNLRQIOD-UHFFFAOYSA-N -1 3 320.313 0.295 20 5 DCBDHM COC[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)OC ZINC001591377083 1167246030 /nfs/dbraw/zinc/24/60/30/1167246030.db2.gz COCWPSBWFQJKHZ-SSDOTTSWSA-N -1 3 323.313 0.430 20 5 DCBDHM COC[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)OC ZINC001591377083 1167246035 /nfs/dbraw/zinc/24/60/35/1167246035.db2.gz COCWPSBWFQJKHZ-SSDOTTSWSA-N -1 3 323.313 0.430 20 5 DCBDHM Cc1cc(N[C@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592035829 1167440860 /nfs/dbraw/zinc/44/08/60/1167440860.db2.gz AYWXBKILNWJSPM-QMMMGPOBSA-N -1 3 317.309 0.726 20 5 DCBDHM Cc1cc(N[C@H]2CC(=O)N(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592035829 1167440864 /nfs/dbraw/zinc/44/08/64/1167440864.db2.gz AYWXBKILNWJSPM-QMMMGPOBSA-N -1 3 317.309 0.726 20 5 DCBDHM Cc1cc(NC[C@@]2(O)CCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042986 1167443087 /nfs/dbraw/zinc/44/30/87/1167443087.db2.gz UDXPBANFOCEAOJ-ZDUSSCGKSA-N -1 3 320.309 0.647 20 5 DCBDHM Cc1cc(NC[C@@]2(O)CCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042986 1167443093 /nfs/dbraw/zinc/44/30/93/1167443093.db2.gz UDXPBANFOCEAOJ-ZDUSSCGKSA-N -1 3 320.309 0.647 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](O)[C@H](F)C2)c1-c1nnn[n-]1 ZINC001592755887 1167633660 /nfs/dbraw/zinc/63/36/60/1167633660.db2.gz CEIHJQLTTWIFKB-MUWHJKNJSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](O)[C@H](F)C2)c1-c1nn[n-]n1 ZINC001592755887 1167633662 /nfs/dbraw/zinc/63/36/62/1167633662.db2.gz CEIHJQLTTWIFKB-MUWHJKNJSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1cc(NCCn2ccnc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759706 1167636013 /nfs/dbraw/zinc/63/60/13/1167636013.db2.gz HVLAWHBWBSJYEF-UHFFFAOYSA-N -1 3 315.297 0.666 20 5 DCBDHM Nc1cc(NCCn2ccnc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759706 1167636017 /nfs/dbraw/zinc/63/60/17/1167636017.db2.gz HVLAWHBWBSJYEF-UHFFFAOYSA-N -1 3 315.297 0.666 20 5 DCBDHM O=C1OC[C@@H]2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@H]12 ZINC001593423062 1167832439 /nfs/dbraw/zinc/83/24/39/1167832439.db2.gz UKLIHHXJBOBCNL-IUCAKERBSA-N -1 3 316.277 0.384 20 5 DCBDHM 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DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119783307 158191112 /nfs/dbraw/zinc/19/11/12/158191112.db2.gz ITVDJYIAGQRXOY-UHFFFAOYSA-N -1 3 315.351 0.626 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122849934 158223918 /nfs/dbraw/zinc/22/39/18/158223918.db2.gz YNFFXQRAPTUNJF-UHFFFAOYSA-N -1 3 307.353 0.331 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000237136394 287065786 /nfs/dbraw/zinc/06/57/86/287065786.db2.gz DLMZABWBRBFAIL-UHFFFAOYSA-N -1 3 309.322 0.992 20 5 DCBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279139835 415517857 /nfs/dbraw/zinc/51/78/57/415517857.db2.gz RUPDGROMWSERFC-ZDUSSCGKSA-N -1 3 305.294 0.477 20 5 DCBDHM C[C@@]1(C[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000343329500 415560481 /nfs/dbraw/zinc/56/04/81/415560481.db2.gz CMHHDWULTVSPOE-XPTSAGLGSA-N -1 3 319.321 0.947 20 5 DCBDHM C[C@@]1(C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000343329498 415560503 /nfs/dbraw/zinc/56/05/03/415560503.db2.gz CMHHDWULTVSPOE-OTYXRUKQSA-N -1 3 319.321 0.947 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000343440178 415599702 /nfs/dbraw/zinc/59/97/02/415599702.db2.gz IMXYFVSMQVRJIO-MRVPVSSYSA-N -1 3 322.364 0.658 20 5 DCBDHM Cc1ccc([O-])c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000345993139 416181339 /nfs/dbraw/zinc/18/13/39/416181339.db2.gz RKMBKXMQHVQVAF-UHFFFAOYSA-N -1 3 304.262 0.804 20 5 DCBDHM O=C(NCCNc1ccncc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341866281 416245697 /nfs/dbraw/zinc/24/56/97/416245697.db2.gz AZIBBWLKHHZADJ-UHFFFAOYSA-N -1 3 303.278 0.354 20 5 DCBDHM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416523868 416373504 /nfs/dbraw/zinc/37/35/04/416373504.db2.gz YNAJVADCXJMDTD-UHFFFAOYSA-N -1 3 315.351 0.788 20 5 DCBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000416570517 416376253 /nfs/dbraw/zinc/37/62/53/416376253.db2.gz NGOWVHGQKHHQTB-GXSJLCMTSA-N -1 3 316.335 0.595 20 5 DCBDHM NC(=O)Cc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000361916173 416522585 /nfs/dbraw/zinc/52/25/85/416522585.db2.gz NHQQGMZNFNQWFE-UHFFFAOYSA-N -1 3 323.290 0.432 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000435627138 416529274 /nfs/dbraw/zinc/52/92/74/416529274.db2.gz QKOMVBUJIFBWJP-QMMMGPOBSA-N -1 3 310.278 0.808 20 5 DCBDHM O=C1CCOC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599441709 416612667 /nfs/dbraw/zinc/61/26/67/416612667.db2.gz INPORHOFNZFRFL-MRVPVSSYSA-N -1 3 300.292 0.231 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000524412767 417108195 /nfs/dbraw/zinc/10/81/95/417108195.db2.gz GMVACRWXMOZQFK-MRVPVSSYSA-N -1 3 306.282 0.013 20 5 DCBDHM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000452061291 417438444 /nfs/dbraw/zinc/43/84/44/417438444.db2.gz UBFSJUGSYAZNQX-BDAKNGLRSA-N -1 3 313.335 0.527 20 5 DCBDHM CCc1n[nH]c(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC000357021197 261495815 /nfs/dbraw/zinc/49/58/15/261495815.db2.gz YRFINAJWIDZRPJ-UHFFFAOYSA-N -1 3 318.293 0.574 20 5 DCBDHM CCc1[nH]nc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC000357021197 261495816 /nfs/dbraw/zinc/49/58/16/261495816.db2.gz YRFINAJWIDZRPJ-UHFFFAOYSA-N -1 3 318.293 0.574 20 5 DCBDHM Cc1c(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cccc1[N+](=O)[O-] ZINC000360525429 261842085 /nfs/dbraw/zinc/84/20/85/261842085.db2.gz AVUUPYDUBHCTRZ-UHFFFAOYSA-N -1 3 319.277 0.617 20 5 DCBDHM CCN(C)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000358648045 271061935 /nfs/dbraw/zinc/06/19/35/271061935.db2.gz HJSZRGXKZDLFDX-UHFFFAOYSA-N -1 3 321.380 0.721 20 5 DCBDHM O=C1[N-]C(=O)[C@@H](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000358882567 271078469 /nfs/dbraw/zinc/07/84/69/271078469.db2.gz PUWKGHAKVBHSPR-MRVPVSSYSA-N -1 3 303.234 0.395 20 5 DCBDHM CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000262762103 276087138 /nfs/dbraw/zinc/08/71/38/276087138.db2.gz ZYIDGFGBLDYUIC-UHFFFAOYSA-N -1 3 310.310 0.590 20 5 DCBDHM CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000262762103 276087141 /nfs/dbraw/zinc/08/71/41/276087141.db2.gz ZYIDGFGBLDYUIC-UHFFFAOYSA-N -1 3 310.310 0.590 20 5 DCBDHM Cc1cccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1[N+](=O)[O-] ZINC000332608774 301948301 /nfs/dbraw/zinc/94/83/01/301948301.db2.gz JZKZMNCIVIKRIB-SNVBAGLBSA-N -1 3 318.289 0.279 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CC(N)=O ZINC000186711119 302046718 /nfs/dbraw/zinc/04/67/18/302046718.db2.gz GEXXIHNIQCBCTH-UHFFFAOYSA-N -1 3 315.351 0.836 20 5 DCBDHM COC(=O)[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736890723 598298908 /nfs/dbraw/zinc/29/89/08/598298908.db2.gz CMLVIGHRYIFQHZ-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736890723 598298910 /nfs/dbraw/zinc/29/89/10/598298910.db2.gz CMLVIGHRYIFQHZ-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736893618 598500873 /nfs/dbraw/zinc/50/08/73/598500873.db2.gz RVLJBJVRRUAARY-ZCFIWIBFSA-N -1 3 307.270 0.391 20 5 DCBDHM COC(=O)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736893618 598500874 /nfs/dbraw/zinc/50/08/74/598500874.db2.gz RVLJBJVRRUAARY-ZCFIWIBFSA-N -1 3 307.270 0.391 20 5 DCBDHM Nc1nc(Oc2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000737776595 598551812 /nfs/dbraw/zinc/55/18/12/598551812.db2.gz RIGDXIABLFUXSQ-UHFFFAOYSA-N -1 3 300.238 0.939 20 5 DCBDHM CC[C@@H](C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736334461 598774840 /nfs/dbraw/zinc/77/48/40/598774840.db2.gz WAZQABKXWUPWHG-XCBNKYQSSA-N -1 3 307.314 0.989 20 5 DCBDHM CC[C@@H](C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736334461 598774842 /nfs/dbraw/zinc/77/48/42/598774842.db2.gz WAZQABKXWUPWHG-XCBNKYQSSA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)(C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735596619 598775209 /nfs/dbraw/zinc/77/52/09/598775209.db2.gz KVVSMXKYTDPVRC-VIFPVBQESA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)(C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735596619 598775210 /nfs/dbraw/zinc/77/52/10/598775210.db2.gz KVVSMXKYTDPVRC-VIFPVBQESA-N -1 3 307.314 0.989 20 5 DCBDHM CNC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736870807 598815517 /nfs/dbraw/zinc/81/55/17/598815517.db2.gz LRGLPHYRFVELOP-LLVKDONJSA-N -1 3 317.309 0.490 20 5 DCBDHM CNC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736870807 598815518 /nfs/dbraw/zinc/81/55/18/598815518.db2.gz LRGLPHYRFVELOP-LLVKDONJSA-N -1 3 317.309 0.490 20 5 DCBDHM CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000736853913 599535259 /nfs/dbraw/zinc/53/52/59/599535259.db2.gz BQEAYXPJJAFGAD-SECBINFHSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000736853913 599535263 /nfs/dbraw/zinc/53/52/63/599535263.db2.gz BQEAYXPJJAFGAD-SECBINFHSA-N -1 3 303.282 0.418 20 5 DCBDHM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])s1 ZINC000823290294 606531667 /nfs/dbraw/zinc/53/16/67/606531667.db2.gz VSCOULMRWOPSJK-UHFFFAOYSA-N -1 3 306.267 0.812 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826392405 608099930 /nfs/dbraw/zinc/09/99/30/608099930.db2.gz XDTNLMBSMYZOFA-ZETCQYMHSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826392405 608099931 /nfs/dbraw/zinc/09/99/31/608099931.db2.gz XDTNLMBSMYZOFA-ZETCQYMHSA-N -1 3 318.297 0.022 20 5 DCBDHM Cn1cnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000826364843 608554418 /nfs/dbraw/zinc/55/44/18/608554418.db2.gz NTBAJEJSQVHAIL-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000826364843 608554419 /nfs/dbraw/zinc/55/44/19/608554419.db2.gz NTBAJEJSQVHAIL-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cc1c([N+](=O)[O-])cc(C(=O)NN2CC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000921246187 665292089 /nfs/dbraw/zinc/29/20/89/665292089.db2.gz ZLDUFJJSUGFLTN-UHFFFAOYSA-N -1 3 323.221 0.008 20 5 DCBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)cs1 ZINC000768845229 668624981 /nfs/dbraw/zinc/62/49/81/668624981.db2.gz BEQRBNHOIRQEQP-RXMQYKEDSA-N -1 3 320.270 0.858 20 5 DCBDHM O=c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000800044430 669816728 /nfs/dbraw/zinc/81/67/28/669816728.db2.gz FWDDVXIXTBREPM-UHFFFAOYSA-N -1 3 302.293 0.953 20 5 DCBDHM CN(C)C(=O)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848579731 670698208 /nfs/dbraw/zinc/69/82/08/670698208.db2.gz OEDOROJGORDZIV-UHFFFAOYSA-N -1 3 317.248 0.771 20 5 DCBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849387455 670786260 /nfs/dbraw/zinc/78/62/60/670786260.db2.gz MGSAGCNWYLUWDB-SNVBAGLBSA-N -1 3 314.367 0.752 20 5 DCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823409617 671392849 /nfs/dbraw/zinc/39/28/49/671392849.db2.gz JALURDMCRGWMAI-UHFFFAOYSA-N -1 3 318.253 0.157 20 5 DCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823409617 671392851 /nfs/dbraw/zinc/39/28/51/671392851.db2.gz JALURDMCRGWMAI-UHFFFAOYSA-N -1 3 318.253 0.157 20 5 DCBDHM CC(CO)(CO)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589881275 1166706040 /nfs/dbraw/zinc/70/60/40/1166706040.db2.gz IWSZMXWMBVJCSW-UHFFFAOYSA-N -1 3 308.298 0.178 20 5 DCBDHM C[C@@]1(O)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590150542 1166791045 /nfs/dbraw/zinc/79/10/45/1166791045.db2.gz RXUPSELATROCAV-CYBMUJFWSA-N -1 3 319.325 0.911 20 5 DCBDHM C[C@@]1(O)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590150542 1166791052 /nfs/dbraw/zinc/79/10/52/1166791052.db2.gz RXUPSELATROCAV-CYBMUJFWSA-N -1 3 319.325 0.911 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590333537 1166870889 /nfs/dbraw/zinc/87/08/89/1166870889.db2.gz HQWYIRCKGFAMLF-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM CC[C@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590499081 1166925597 /nfs/dbraw/zinc/92/55/97/1166925597.db2.gz INOJABMLCLSGRZ-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CCCN(CC(N)=O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590622748 1166951342 /nfs/dbraw/zinc/95/13/42/1166951342.db2.gz FZLLCUNSBIOZFK-UHFFFAOYSA-N -1 3 305.298 0.477 20 5 DCBDHM CCCN(CC(N)=O)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590622748 1166951347 /nfs/dbraw/zinc/95/13/47/1166951347.db2.gz FZLLCUNSBIOZFK-UHFFFAOYSA-N -1 3 305.298 0.477 20 5 DCBDHM CCOC(=O)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590764762 1167011649 /nfs/dbraw/zinc/01/16/49/1167011649.db2.gz UZAFQDTXLXIHTQ-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM CCOC(=O)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590764762 1167011652 /nfs/dbraw/zinc/01/16/52/1167011652.db2.gz UZAFQDTXLXIHTQ-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM CCn1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nn1 ZINC001590952825 1167055773 /nfs/dbraw/zinc/05/57/73/1167055773.db2.gz AHEOEQLZWXQVMT-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nn1 ZINC001590952825 1167055844 /nfs/dbraw/zinc/05/58/44/1167055844.db2.gz AHEOEQLZWXQVMT-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001591195538 1167145676 /nfs/dbraw/zinc/14/56/76/1167145676.db2.gz QZMFYQDEGMOJHK-UHFFFAOYSA-N -1 3 303.282 0.006 20 5 DCBDHM CN1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001591195538 1167145693 /nfs/dbraw/zinc/14/56/93/1167145693.db2.gz QZMFYQDEGMOJHK-UHFFFAOYSA-N -1 3 303.282 0.006 20 5 DCBDHM COC[C@](C)(O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591370924 1167241840 /nfs/dbraw/zinc/24/18/40/1167241840.db2.gz JAOBOURDMDSJSP-GFCCVEGCSA-N -1 3 323.313 0.369 20 5 DCBDHM COC[C@](C)(O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591370924 1167241847 /nfs/dbraw/zinc/24/18/47/1167241847.db2.gz JAOBOURDMDSJSP-GFCCVEGCSA-N -1 3 323.313 0.369 20 5 DCBDHM Cc1cc(NCCc2nnc[nH]2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592051270 1167446038 /nfs/dbraw/zinc/44/60/38/1167446038.db2.gz NKRUWGFFLZODLC-UHFFFAOYSA-N -1 3 315.297 0.856 20 5 DCBDHM Cc1cc(NCCc2nnc[nH]2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592051270 1167446042 /nfs/dbraw/zinc/44/60/42/1167446042.db2.gz NKRUWGFFLZODLC-UHFFFAOYSA-N -1 3 315.297 0.856 20 5 DCBDHM Cc1sc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC001592518380 1167547791 /nfs/dbraw/zinc/54/77/91/1167547791.db2.gz ZYOJOJOPJOXFKO-UHFFFAOYSA-N -1 3 320.294 0.612 20 5 DCBDHM NC(=O)CCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592728308 1167618694 /nfs/dbraw/zinc/61/86/94/1167618694.db2.gz PAYHWARCORCEFJ-UHFFFAOYSA-N -1 3 308.323 0.884 20 5 DCBDHM NC(=O)CCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592728308 1167618696 /nfs/dbraw/zinc/61/86/96/1167618696.db2.gz PAYHWARCORCEFJ-UHFFFAOYSA-N -1 3 308.323 0.884 20 5 DCBDHM O=[N+]([O-])c1cc(NC[C@]2(O)CCOC2)ccc1-c1nnn[n-]1 ZINC001593473381 1167862178 /nfs/dbraw/zinc/86/21/78/1167862178.db2.gz AIOXDWVWDVBAAM-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCC2(CO)CC2)c(-c2nnn[n-]2)c1 ZINC001593485046 1167868067 /nfs/dbraw/zinc/86/80/67/1167868067.db2.gz OWNGBBSRNLSCJE-UHFFFAOYSA-N -1 3 305.298 0.744 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCC2(CO)CC2)c(-c2nn[n-]n2)c1 ZINC001593485046 1167868089 /nfs/dbraw/zinc/86/80/89/1167868089.db2.gz OWNGBBSRNLSCJE-UHFFFAOYSA-N -1 3 305.298 0.744 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1COc1cccc[n+]1[O-] ZINC001593483289 1167868558 /nfs/dbraw/zinc/86/85/58/1167868558.db2.gz YUMTVGWQNSJAAD-UHFFFAOYSA-N -1 3 314.261 0.987 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1COc1cccc[n+]1[O-] ZINC001593483289 1167868579 /nfs/dbraw/zinc/86/85/79/1167868579.db2.gz YUMTVGWQNSJAAD-UHFFFAOYSA-N -1 3 314.261 0.987 20 5 DCBDHM O=C([O-])[C@@H]1C[C@@H](O)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001601768753 1168868361 /nfs/dbraw/zinc/86/83/61/1168868361.db2.gz JUNCOEZMORGTLG-RTXFEEFZSA-N -1 3 310.306 0.396 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939432 1169443073 /nfs/dbraw/zinc/44/30/73/1169443073.db2.gz UDPZNDLICMWOJY-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939432 1169443077 /nfs/dbraw/zinc/44/30/77/1169443077.db2.gz UDPZNDLICMWOJY-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(=O)N1C ZINC001603937866 1169444497 /nfs/dbraw/zinc/44/44/97/1169444497.db2.gz JDHINNLGDWCMAX-MRVPVSSYSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(=O)N1C ZINC001603937866 1169444499 /nfs/dbraw/zinc/44/44/99/1169444499.db2.gz JDHINNLGDWCMAX-MRVPVSSYSA-N -1 3 317.309 0.442 20 5 DCBDHM CC[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604093339 1169490344 /nfs/dbraw/zinc/49/03/44/1169490344.db2.gz ABDQZIPEUJDIAL-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM CC[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604093339 1169490346 /nfs/dbraw/zinc/49/03/46/1169490346.db2.gz ABDQZIPEUJDIAL-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM CCN(CC(N)=O)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604277412 1169544204 /nfs/dbraw/zinc/54/42/04/1169544204.db2.gz OMIVMNGZBSYWHF-UHFFFAOYSA-N -1 3 305.298 0.082 20 5 DCBDHM CCN(CC(N)=O)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604277412 1169544205 /nfs/dbraw/zinc/54/42/05/1169544205.db2.gz OMIVMNGZBSYWHF-UHFFFAOYSA-N -1 3 305.298 0.082 20 5 DCBDHM CN(Cc1cn[nH]c1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604822383 1169698914 /nfs/dbraw/zinc/69/89/14/1169698914.db2.gz GGVPDPSNYOOKGT-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CN(Cc1cn[nH]c1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604822383 1169698917 /nfs/dbraw/zinc/69/89/17/1169698917.db2.gz GGVPDPSNYOOKGT-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CN1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1=O ZINC001604846825 1169706940 /nfs/dbraw/zinc/70/69/40/1169706940.db2.gz QXFJGPLHWDVDEU-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1=O ZINC001604855841 1169711011 /nfs/dbraw/zinc/71/10/11/1169711011.db2.gz PDKREJNAAJQNMT-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CON(C)C(=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605141193 1169839700 /nfs/dbraw/zinc/83/97/00/1169839700.db2.gz MMSHVFWKVMEPDX-ZETCQYMHSA-N -1 3 321.297 0.595 20 5 DCBDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001605553640 1169959773 /nfs/dbraw/zinc/95/97/73/1169959773.db2.gz SVCONCPWETZUTE-UHFFFAOYSA-N -1 3 306.282 0.782 20 5 DCBDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001605553640 1169959776 /nfs/dbraw/zinc/95/97/76/1169959776.db2.gz SVCONCPWETZUTE-UHFFFAOYSA-N -1 3 306.282 0.782 20 5 DCBDHM NC(=O)CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001606410820 1170189612 /nfs/dbraw/zinc/18/96/12/1170189612.db2.gz NGDFDGJIHNDJAW-UHFFFAOYSA-N -1 3 317.309 0.842 20 5 DCBDHM NC(=O)CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001606410820 1170189617 /nfs/dbraw/zinc/18/96/17/1170189617.db2.gz NGDFDGJIHNDJAW-UHFFFAOYSA-N -1 3 317.309 0.842 20 5 DCBDHM NC(=O)CC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001606411374 1170190014 /nfs/dbraw/zinc/19/00/14/1170190014.db2.gz XVTXUXWCFSURTP-UHFFFAOYSA-N -1 3 317.309 0.842 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1sccc1-c1nnn[n-]1 ZINC001606618600 1170243663 /nfs/dbraw/zinc/24/36/63/1170243663.db2.gz ATFOWEHBUDXMJZ-UHFFFAOYSA-N -1 3 320.294 0.672 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1sccc1-c1nn[n-]n1 ZINC001606618600 1170243664 /nfs/dbraw/zinc/24/36/64/1170243664.db2.gz ATFOWEHBUDXMJZ-UHFFFAOYSA-N -1 3 320.294 0.672 20 5 DCBDHM O=C(Cn1nccc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC001606626262 1170246338 /nfs/dbraw/zinc/24/63/38/1170246338.db2.gz YDUJMGPPQXZVRB-UHFFFAOYSA-N -1 3 320.294 0.672 20 5 DCBDHM O=C(Cn1nccc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC001606626262 1170246343 /nfs/dbraw/zinc/24/63/43/1170246343.db2.gz YDUJMGPPQXZVRB-UHFFFAOYSA-N -1 3 320.294 0.672 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@H](O)C1CC1 ZINC001607080515 1170381422 /nfs/dbraw/zinc/38/14/22/1170381422.db2.gz MYVLWDASICNMPV-JTQLQIEISA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@H](O)C1CC1 ZINC001607080515 1170381431 /nfs/dbraw/zinc/38/14/31/1170381431.db2.gz MYVLWDASICNMPV-JTQLQIEISA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])CCN1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001607076887 1170381467 /nfs/dbraw/zinc/38/14/67/1170381467.db2.gz XFMQZPWQMQZYNO-GFCCVEGCSA-N -1 3 304.310 0.517 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC001607080941 1170384380 /nfs/dbraw/zinc/38/43/80/1170384380.db2.gz VFSREFCAGPANDT-SCZZXKLOSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC001607080941 1170384388 /nfs/dbraw/zinc/38/43/88/1170384388.db2.gz VFSREFCAGPANDT-SCZZXKLOSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1ccc(NCC[C@]2(O)CCOC2)c(-c2nnn[n-]2)c1 ZINC001607082738 1170385106 /nfs/dbraw/zinc/38/51/06/1170385106.db2.gz UOJYAZATCQCYQS-ZDUSSCGKSA-N -1 3 320.309 0.728 20 5 DCBDHM O=[N+]([O-])c1ccc(NCC[C@]2(O)CCOC2)c(-c2nn[n-]n2)c1 ZINC001607082738 1170385114 /nfs/dbraw/zinc/38/51/14/1170385114.db2.gz UOJYAZATCQCYQS-ZDUSSCGKSA-N -1 3 320.309 0.728 20 5 DCBDHM CCN1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001609228593 1170882266 /nfs/dbraw/zinc/88/22/66/1170882266.db2.gz ZMVTWGMZHVSZEX-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CCN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001609228593 1170882277 /nfs/dbraw/zinc/88/22/77/1170882277.db2.gz ZMVTWGMZHVSZEX-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM COC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001640535861 1171883182 /nfs/dbraw/zinc/88/31/82/1171883182.db2.gz LWKWMDVPUKQASK-DTWKUNHWSA-N -1 3 311.294 0.933 20 5 DCBDHM CN(C)S(=O)(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001643190779 1171969299 /nfs/dbraw/zinc/96/92/99/1171969299.db2.gz PKOHOYHKCGEKJL-UHFFFAOYSA-N -1 3 316.339 0.531 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CCOCCO)c([N+](=O)[O-])s1 ZINC001660425006 1173993606 /nfs/dbraw/zinc/99/36/06/1173993606.db2.gz VMEPNHXFKSZQPY-UHFFFAOYSA-N -1 3 310.353 0.252 20 5 DCBDHM CCOCC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106671712 751222014 /nfs/dbraw/zinc/22/20/14/751222014.db2.gz MMSYDNGZIRYTFS-UHFFFAOYSA-N -1 3 312.326 0.992 20 5 DCBDHM COCCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096985591 755566299 /nfs/dbraw/zinc/56/62/99/755566299.db2.gz NJEWQDSSBCIEMJ-KYZUINATSA-N -1 3 310.310 0.791 20 5 DCBDHM COCC1(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001100224952 763407067 /nfs/dbraw/zinc/40/70/67/763407067.db2.gz JAVFSMFYUPIVMA-UHFFFAOYSA-N -1 3 324.337 0.674 20 5 DCBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]n1 ZINC001093494052 768575709 /nfs/dbraw/zinc/57/57/09/768575709.db2.gz VGKPFRIGTMIWIM-UHFFFAOYSA-N -1 3 306.282 0.569 20 5 DCBDHM COCC(C)(C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094003142 768804964 /nfs/dbraw/zinc/80/49/64/768804964.db2.gz KMGNHDUFWOWQPT-UHFFFAOYSA-N -1 3 312.326 0.896 20 5 DCBDHM Nc1ccnc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c1[N+](=O)[O-] ZINC001163042785 772448699 /nfs/dbraw/zinc/44/86/99/772448699.db2.gz YNMNZZGSDDETHW-UHFFFAOYSA-N -1 3 321.278 0.258 20 5 DCBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCOCC1 ZINC001345646855 953694705 /nfs/dbraw/zinc/69/47/05/953694705.db2.gz HKHATMKOAQGPMW-UHFFFAOYSA-N -1 3 306.282 0.328 20 5 DCBDHM CN(C)CCN(CC(=O)[O-])C(=O)c1csc([N+](=O)[O-])c1 ZINC000225904145 967702254 /nfs/dbraw/zinc/70/22/54/967702254.db2.gz HJSPGXGMDWICJW-UHFFFAOYSA-N -1 3 301.324 0.745 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001466867370 1016121705 /nfs/dbraw/zinc/12/17/05/1016121705.db2.gz YMSQPAGSNDULPZ-UHFFFAOYSA-N -1 3 304.266 0.022 20 5 DCBDHM CC(C)(CCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)[N+](=O)[O-] ZINC001469719069 1016358333 /nfs/dbraw/zinc/35/83/33/1016358333.db2.gz HEQPBUPQYDTMHH-UHFFFAOYSA-N -1 3 300.340 0.923 20 5 DCBDHM CCc1n[nH]c(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC001454284628 1009040116 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0.870 20 5 DCBDHM O=C(NCCN1CCSCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000264838538 204196633 /nfs/dbraw/zinc/19/66/33/204196633.db2.gz ICWDSNCSOVYOIB-UHFFFAOYSA-N -1 3 312.351 0.474 20 5 DCBDHM C[C@@H](CO)N1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000347147387 254133687 /nfs/dbraw/zinc/13/36/87/254133687.db2.gz WNWRTALLXQIDIW-NSHDSACASA-N -1 3 323.349 0.829 20 5 DCBDHM COC(=O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000035177052 395719304 /nfs/dbraw/zinc/71/93/04/395719304.db2.gz MMEBQQHXDNFXEN-UHFFFAOYSA-N -1 3 304.280 0.055 20 5 DCBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000045745330 395765982 /nfs/dbraw/zinc/76/59/82/395765982.db2.gz SKKUZLLSDKGLKK-QMMMGPOBSA-N -1 3 301.324 0.350 20 5 DCBDHM COCCOCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000052782647 395869737 /nfs/dbraw/zinc/86/97/37/395869737.db2.gz LVSACZRLIBQUOP-UHFFFAOYSA-N -1 3 318.351 0.926 20 5 DCBDHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276534659 396007764 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/nfs/dbraw/zinc/48/91/88/671489188.db2.gz IGZNUPUMPRZZPN-UHFFFAOYSA-N -1 3 306.282 0.196 20 5 DCBDHM COc1cccc([O-])c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001588284695 1166519650 /nfs/dbraw/zinc/51/96/50/1166519650.db2.gz IKQCTSMXZFUJAV-UHFFFAOYSA-N -1 3 306.278 0.936 20 5 DCBDHM C[C@@H](CC(=O)[O-])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589008051 1166627196 /nfs/dbraw/zinc/62/71/96/1166627196.db2.gz BMFDLLQXNXSMEH-VIFPVBQESA-N -1 3 316.335 0.821 20 5 DCBDHM CC(C)(CNC(N)=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589286231 1166643094 /nfs/dbraw/zinc/64/30/94/1166643094.db2.gz BYOCOEGPYJAWHQ-UHFFFAOYSA-N -1 3 320.313 0.634 20 5 DCBDHM CC(C)(CNC(N)=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589286231 1166643099 /nfs/dbraw/zinc/64/30/99/1166643099.db2.gz BYOCOEGPYJAWHQ-UHFFFAOYSA-N -1 3 320.313 0.634 20 5 DCBDHM C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590149771 1166791291 /nfs/dbraw/zinc/79/12/91/1166791291.db2.gz BCIWPIICJXDUAC-LBPRGKRZSA-N -1 3 305.298 0.318 20 5 DCBDHM C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590149771 1166791299 /nfs/dbraw/zinc/79/12/99/1166791299.db2.gz BCIWPIICJXDUAC-LBPRGKRZSA-N -1 3 305.298 0.318 20 5 DCBDHM C[C@@H]1C[C@@H](CO)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191268 1166802623 /nfs/dbraw/zinc/80/26/23/1166802623.db2.gz FEZWKOUQGRWHCL-RKDXNWHRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1C[C@@H](CO)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191268 1166802630 /nfs/dbraw/zinc/80/26/30/1166802630.db2.gz FEZWKOUQGRWHCL-RKDXNWHRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CCNC(=O)[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590279264 1166839858 /nfs/dbraw/zinc/83/98/58/1166839858.db2.gz YNTAIICRCKVGIG-CPCISQLKSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC(=O)N1 ZINC001590315482 1166859561 /nfs/dbraw/zinc/85/95/61/1166859561.db2.gz MNBJWRAMMVBWQK-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC(=O)N1 ZINC001590315482 1166859568 /nfs/dbraw/zinc/85/95/68/1166859568.db2.gz MNBJWRAMMVBWQK-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591044501 1167092898 /nfs/dbraw/zinc/09/28/98/1167092898.db2.gz QFAPMOSARLSOBZ-SNVBAGLBSA-N -1 3 319.325 0.564 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591044501 1167092902 /nfs/dbraw/zinc/09/29/02/1167092902.db2.gz QFAPMOSARLSOBZ-SNVBAGLBSA-N -1 3 319.325 0.564 20 5 DCBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC001591155325 1167119482 /nfs/dbraw/zinc/11/94/82/1167119482.db2.gz KBPHPBBNGKJGFJ-SECBINFHSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(Cc1nncn1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591153647 1167119563 /nfs/dbraw/zinc/11/95/63/1167119563.db2.gz AJKKQYCCTRWGLS-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1nncn1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591153647 1167119566 /nfs/dbraw/zinc/11/95/66/1167119566.db2.gz AJKKQYCCTRWGLS-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM COC(=O)[C@@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591230013 1167167881 /nfs/dbraw/zinc/16/78/81/1167167881.db2.gz XXJOAWXYDBNYPU-LBPRGKRZSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)[C@@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591230013 1167167883 /nfs/dbraw/zinc/16/78/83/1167167883.db2.gz XXJOAWXYDBNYPU-LBPRGKRZSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)C1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591253776 1167178148 /nfs/dbraw/zinc/17/81/48/1167178148.db2.gz DUPBMIMCZIDEEZ-UHFFFAOYSA-N -1 3 304.266 0.384 20 5 DCBDHM COC(=O)C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591253776 1167178151 /nfs/dbraw/zinc/17/81/51/1167178151.db2.gz DUPBMIMCZIDEEZ-UHFFFAOYSA-N -1 3 304.266 0.384 20 5 DCBDHM COC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591340246 1167223477 /nfs/dbraw/zinc/22/34/77/1167223477.db2.gz FJEOZOJXYNSWSU-UHFFFAOYSA-N -1 3 305.298 0.582 20 5 DCBDHM COC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591340246 1167223484 /nfs/dbraw/zinc/22/34/84/1167223484.db2.gz FJEOZOJXYNSWSU-UHFFFAOYSA-N -1 3 305.298 0.582 20 5 DCBDHM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)N1C ZINC001591774112 1167374604 /nfs/dbraw/zinc/37/46/04/1167374604.db2.gz UHBVRYYFUSZIGS-DTORHVGOSA-N -1 3 318.341 0.699 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591774684 1167374791 /nfs/dbraw/zinc/37/47/91/1167374791.db2.gz KGFLZXPMUFDZHM-IONNQARKSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591774684 1167374797 /nfs/dbraw/zinc/37/47/97/1167374797.db2.gz KGFLZXPMUFDZHM-IONNQARKSA-N -1 3 305.298 0.377 20 5 DCBDHM Cc1cc(NCCn2ncnn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592051556 1167446918 /nfs/dbraw/zinc/44/69/18/1167446918.db2.gz XFRZDIZZUCDHMA-UHFFFAOYSA-N -1 3 316.285 0.182 20 5 DCBDHM Cc1cc(NCCn2ncnn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592051556 1167446920 /nfs/dbraw/zinc/44/69/20/1167446920.db2.gz XFRZDIZZUCDHMA-UHFFFAOYSA-N -1 3 316.285 0.182 20 5 DCBDHM NC(=O)C1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001592721566 1167613831 /nfs/dbraw/zinc/61/38/31/1167613831.db2.gz XWMFGGJJWPOSBW-UHFFFAOYSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001592721566 1167613835 /nfs/dbraw/zinc/61/38/35/1167613835.db2.gz XWMFGGJJWPOSBW-UHFFFAOYSA-N -1 3 317.309 0.477 20 5 DCBDHM O=C1OC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]12 ZINC001593423239 1167834409 /nfs/dbraw/zinc/83/44/09/1167834409.db2.gz ZXTAZTSFJDXVQE-IUCAKERBSA-N -1 3 316.277 0.384 20 5 DCBDHM O=C1OC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]12 ZINC001593423239 1167834422 /nfs/dbraw/zinc/83/44/22/1167834422.db2.gz ZXTAZTSFJDXVQE-IUCAKERBSA-N -1 3 316.277 0.384 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1c[nH]cn1 ZINC001593470249 1167857933 /nfs/dbraw/zinc/85/79/33/1167857933.db2.gz IUMPSNBYNSGHBX-LLVKDONJSA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1c[nH]cn1 ZINC001593470251 1167859371 /nfs/dbraw/zinc/85/93/71/1167859371.db2.gz IUMPSNBYNSGHBX-NSHDSACASA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593470833 1167862655 /nfs/dbraw/zinc/86/26/55/1167862655.db2.gz NQCMNGVZZFBHJP-IJRMOIDVSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593470833 1167862671 /nfs/dbraw/zinc/86/26/71/1167862671.db2.gz NQCMNGVZZFBHJP-IJRMOIDVSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593478246 1167866178 /nfs/dbraw/zinc/86/61/78/1167866178.db2.gz FSBDLSMUBPKERV-UFBFGSQYSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593478246 1167866184 /nfs/dbraw/zinc/86/61/84/1167866184.db2.gz FSBDLSMUBPKERV-UFBFGSQYSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1nnc[nH]1 ZINC001593489302 1167871596 /nfs/dbraw/zinc/87/15/96/1167871596.db2.gz ZNQKJRPJZFSXTR-UHFFFAOYSA-N -1 3 307.299 0.609 20 5 DCBDHM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1nnc[nH]1 ZINC001593489302 1167871606 /nfs/dbraw/zinc/87/16/06/1167871606.db2.gz ZNQKJRPJZFSXTR-UHFFFAOYSA-N -1 3 307.299 0.609 20 5 DCBDHM CC(C)OC(=O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603343480 1169296432 /nfs/dbraw/zinc/29/64/32/1169296432.db2.gz OGWHEIJJKQHEGO-UHFFFAOYSA-N -1 3 321.297 0.924 20 5 DCBDHM CC(C)OC(=O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603343480 1169296440 /nfs/dbraw/zinc/29/64/40/1169296440.db2.gz OGWHEIJJKQHEGO-UHFFFAOYSA-N -1 3 321.297 0.924 20 5 DCBDHM Cc1cc(N2CCN(C)C(=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605700212 1169987689 /nfs/dbraw/zinc/98/76/89/1169987689.db2.gz NERXABSCUQLCMP-UHFFFAOYSA-N -1 3 317.309 0.362 20 5 DCBDHM Cc1cc(N2CCN(C)C(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605700212 1169987692 /nfs/dbraw/zinc/98/76/92/1169987692.db2.gz NERXABSCUQLCMP-UHFFFAOYSA-N -1 3 317.309 0.362 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001606276899 1170145923 /nfs/dbraw/zinc/14/59/23/1170145923.db2.gz BVWXLRCAPYWAAL-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001606276899 1170145925 /nfs/dbraw/zinc/14/59/25/1170145925.db2.gz BVWXLRCAPYWAAL-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCc1cc[nH]n1 ZINC001607080418 1170381411 /nfs/dbraw/zinc/38/14/11/1170381411.db2.gz JSUVIAMLVGIWNO-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCn1cncn1 ZINC001607084755 1170384982 /nfs/dbraw/zinc/38/49/82/1170384982.db2.gz WYGDCEBZDOUIRK-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCn1cncn1 ZINC001607084755 1170384988 /nfs/dbraw/zinc/38/49/88/1170384988.db2.gz WYGDCEBZDOUIRK-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609128927 1170819676 /nfs/dbraw/zinc/81/96/76/1170819676.db2.gz VDDJHJDIPTZEEG-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609128927 1170819681 /nfs/dbraw/zinc/81/96/81/1170819681.db2.gz VDDJHJDIPTZEEG-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM CCCNC(=O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609215572 1170875614 /nfs/dbraw/zinc/87/56/14/1170875614.db2.gz QOCINXUOIKEJCQ-UHFFFAOYSA-N -1 3 306.286 0.108 20 5 DCBDHM CCCNC(=O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609215572 1170875624 /nfs/dbraw/zinc/87/56/24/1170875624.db2.gz QOCINXUOIKEJCQ-UHFFFAOYSA-N -1 3 306.286 0.108 20 5 DCBDHM CC[S@@](=O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609247300 1170896444 /nfs/dbraw/zinc/89/64/44/1170896444.db2.gz DAWJQJYEGUFUKN-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609296359 1170919989 /nfs/dbraw/zinc/91/99/89/1170919989.db2.gz HDNKNVMVHSSPLC-MRVPVSSYSA-N -1 3 318.293 0.774 20 5 DCBDHM C[S@@](=O)c1nncn1-c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609368725 1170952468 /nfs/dbraw/zinc/95/24/68/1170952468.db2.gz RTXKSCALGOGJEY-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@@](=O)c1nncn1-c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609368725 1170952473 /nfs/dbraw/zinc/95/24/73/1170952473.db2.gz RTXKSCALGOGJEY-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609502714 1171002621 /nfs/dbraw/zinc/00/26/21/1171002621.db2.gz QFFACFKQZAJBEX-QMMMGPOBSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609502714 1171002628 /nfs/dbraw/zinc/00/26/28/1171002628.db2.gz QFFACFKQZAJBEX-QMMMGPOBSA-N -1 3 317.309 0.477 20 5 DCBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001609564689 1171022820 /nfs/dbraw/zinc/02/28/20/1171022820.db2.gz ZMXZLDAHCGUYRS-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001609564689 1171022825 /nfs/dbraw/zinc/02/28/25/1171022825.db2.gz ZMXZLDAHCGUYRS-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM N[C@H](CCC(=O)[O-])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001610640864 1171276820 /nfs/dbraw/zinc/27/68/20/1171276820.db2.gz GHRXJVZMWPHABH-SECBINFHSA-N -1 3 310.310 0.315 20 5 DCBDHM O=C([O-])COc1ccc(CNCCn2cncn2)cc1[N+](=O)[O-] ZINC001610786775 1171324322 /nfs/dbraw/zinc/32/43/22/1171324322.db2.gz OOQPZKTXKAXQCN-UHFFFAOYSA-N -1 3 321.293 0.440 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CCN(C)CCO)c([N+](=O)[O-])s1 ZINC001622552405 1171427215 /nfs/dbraw/zinc/42/72/15/1171427215.db2.gz AHYBUUNYPOJRQO-UHFFFAOYSA-N -1 3 323.396 0.167 20 5 DCBDHM CNc1c(C(=O)NCCCc2c[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC001634143074 1171663306 /nfs/dbraw/zinc/66/33/06/1171663306.db2.gz CZVVXZWGHJHNPL-SECBINFHSA-N -1 3 319.321 0.878 20 5 DCBDHM O=c1[n-]ccc(N2CCN(CC(F)(F)CO)CC2)c1[N+](=O)[O-] ZINC001651366535 1173747188 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ZINC001464048663 1013192059 /nfs/dbraw/zinc/19/20/59/1013192059.db2.gz DEKMAEKVJHSUJV-IHWYPQMZSA-N -1 3 304.299 0.869 20 5 DCBDHM CC(C)(O)CN1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC001471002725 1016512263 /nfs/dbraw/zinc/51/22/63/1016512263.db2.gz ZMMVQTXXGPZNJG-NSHDSACASA-N -1 3 323.349 0.875 20 5 DCBDHM C[C@]12CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001473708556 1016957737 /nfs/dbraw/zinc/95/77/37/1016957737.db2.gz YDJYDFKIIYXXJU-HUUCEWRRSA-N -1 3 319.317 0.785 20 5 DCBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332636775 235228023 /nfs/dbraw/zinc/22/80/23/235228023.db2.gz QXGWTCGLTTWGFN-CABZTGNLSA-N -1 3 304.306 0.892 20 5 DCBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C[C@@]2(O)CCOC2)c1 ZINC000339048026 253025317 /nfs/dbraw/zinc/02/53/17/253025317.db2.gz SWNQRRXQAPGVFU-LBPRGKRZSA-N -1 3 316.335 0.166 20 5 DCBDHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1 ZINC000349883382 254302402 /nfs/dbraw/zinc/30/24/02/254302402.db2.gz 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DCBDHM COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183572739 416247268 /nfs/dbraw/zinc/24/72/68/416247268.db2.gz LQVVBYNMQUGAOL-UHFFFAOYSA-N -1 3 311.338 0.951 20 5 DCBDHM Nc1nc(NCc2nnc(C(F)(F)F)[n-]2)ncc1[N+](=O)[O-] ZINC000359719325 416355073 /nfs/dbraw/zinc/35/50/73/416355073.db2.gz VACBYFLZPKJWGP-UHFFFAOYSA-N -1 3 304.192 0.716 20 5 DCBDHM Nc1nc(NCc2n[n-]c(C(F)(F)F)n2)ncc1[N+](=O)[O-] ZINC000359719325 416355075 /nfs/dbraw/zinc/35/50/75/416355075.db2.gz VACBYFLZPKJWGP-UHFFFAOYSA-N -1 3 304.192 0.716 20 5 DCBDHM Nc1nc(NCc2nc(C(F)(F)F)n[n-]2)ncc1[N+](=O)[O-] ZINC000359719325 416355076 /nfs/dbraw/zinc/35/50/76/416355076.db2.gz VACBYFLZPKJWGP-UHFFFAOYSA-N -1 3 304.192 0.716 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(N)=O)cc1C ZINC000360503724 416394099 /nfs/dbraw/zinc/39/40/99/416394099.db2.gz ABSFAEXSJMSVPU-VIFPVBQESA-N -1 3 315.351 0.754 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COCCC2=O)cc1[N+](=O)[O-] ZINC000599442513 416612710 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)nc1 ZINC000845942267 672284160 /nfs/dbraw/zinc/28/41/60/672284160.db2.gz WQECMCNTRCTLBB-SECBINFHSA-N -1 3 309.307 0.610 20 5 DCBDHM COC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001579746837 1165386458 /nfs/dbraw/zinc/38/64/58/1165386458.db2.gz ILYDPMCTIZFVIQ-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM COC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001579746837 1165386463 /nfs/dbraw/zinc/38/64/63/1165386463.db2.gz ILYDPMCTIZFVIQ-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM Cc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581040174 1165778250 /nfs/dbraw/zinc/77/82/50/1165778250.db2.gz CXCSBCBBJJAZFG-QESKQRKVSA-N -1 3 320.309 0.379 20 5 DCBDHM Cc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581040174 1165778258 /nfs/dbraw/zinc/77/82/58/1165778258.db2.gz CXCSBCBBJJAZFG-QESKQRKVSA-N -1 3 320.309 0.379 20 5 DCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@H]1O 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COC[C@@H](O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591381415 1167251210 /nfs/dbraw/zinc/25/12/10/1167251210.db2.gz XLXPXDVFYSSTCA-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1ncc([N+](=O)[O-])n1 ZINC001591565242 1167331723 /nfs/dbraw/zinc/33/17/23/1167331723.db2.gz WWZAVVTYRCDTEP-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM Cc1ccnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001592271674 1167482730 /nfs/dbraw/zinc/48/27/30/1167482730.db2.gz GSVOWICKOCFMQI-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cc1ccnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001592271674 1167482734 /nfs/dbraw/zinc/48/27/34/1167482734.db2.gz GSVOWICKOCFMQI-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM NC(=O)[C@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592734723 1167621490 /nfs/dbraw/zinc/62/14/90/1167621490.db2.gz PISFOEAWQISNFE-IZLXSQMJSA-N -1 3 321.272 0.590 20 5 DCBDHM NC(=O)[C@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592734723 1167621493 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DCBDHM O=[N+]([O-])c1cnn(CCNCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001593488091 1167870716 /nfs/dbraw/zinc/87/07/16/1167870716.db2.gz XPDZGKLMTDKKPQ-UHFFFAOYSA-N -1 3 321.326 0.218 20 5 DCBDHM O=C([O-])[C@@H]1C[C@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001601769954 1168868768 /nfs/dbraw/zinc/86/87/68/1168868768.db2.gz UBBNDGQEAPYXCP-PWSUYJOCSA-N -1 3 310.306 0.741 20 5 DCBDHM C[C@@H](C[S@](C)=O)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603572022 1169326447 /nfs/dbraw/zinc/32/64/47/1169326447.db2.gz LEILFQMAXWLMLF-ZCAPAMDOSA-N -1 3 324.366 0.978 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC001603910818 1169431984 /nfs/dbraw/zinc/43/19/84/1169431984.db2.gz XVCLIQFFTLTGBL-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O ZINC001603910818 1169431988 /nfs/dbraw/zinc/43/19/88/1169431988.db2.gz XVCLIQFFTLTGBL-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)NC ZINC001604063898 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323.349 0.875 20 5 DCBDHM Cc1cnn(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094046743 768832636 /nfs/dbraw/zinc/83/26/36/768832636.db2.gz SNQCFLLXGNVDJM-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1ncccc1[N+](=O)[O-] ZINC001163042386 772449059 /nfs/dbraw/zinc/44/90/59/772449059.db2.gz RJQBMWVANPCTPT-UHFFFAOYSA-N -1 3 306.263 0.676 20 5 DCBDHM CCN1CC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213512325 773855413 /nfs/dbraw/zinc/85/54/13/773855413.db2.gz LHHBQCCNIQUMPZ-VIFPVBQESA-N -1 3 300.340 0.362 20 5 DCBDHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001320076134 945733844 /nfs/dbraw/zinc/73/38/44/945733844.db2.gz JVKMSYHUAGDTCC-SECBINFHSA-N -1 3 316.335 0.966 20 5 DCBDHM CC(=O)N(C)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001573408156 948062873 /nfs/dbraw/zinc/06/28/73/948062873.db2.gz CLSDMBYDAUISFG-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CC(=O)N(C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001573408156 948062882 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(N)=O)c1C ZINC000178298307 396193306 /nfs/dbraw/zinc/19/33/06/396193306.db2.gz MMGDYUDCGBNNNT-UHFFFAOYSA-N -1 3 301.324 0.365 20 5 DCBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000595353757 396594179 /nfs/dbraw/zinc/59/41/79/396594179.db2.gz KDVDJLHIPRJWAY-JTQLQIEISA-N -1 3 314.367 0.752 20 5 DCBDHM COc1ccc([N+](=O)[O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000588876099 396697961 /nfs/dbraw/zinc/69/79/61/396697961.db2.gz RVIQUMCMBPENCJ-UHFFFAOYSA-N -1 3 320.305 0.989 20 5 DCBDHM CS(=O)(=O)N1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086793 396716064 /nfs/dbraw/zinc/71/60/64/396716064.db2.gz BFDUVLDGYJRGMY-MRVPVSSYSA-N -1 3 316.339 0.531 20 5 DCBDHM CCN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])S(C)(=O)=O ZINC000596084137 396716128 /nfs/dbraw/zinc/71/61/28/396716128.db2.gz IVZYIDFPCBDILL-UHFFFAOYSA-N -1 3 318.355 0.779 20 5 DCBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nnn[n-]1 ZINC000596192632 396729533 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DCBDHM CN1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610249550 397808202 /nfs/dbraw/zinc/80/82/02/397808202.db2.gz QHIWDVBDKUBGTL-UHFFFAOYSA-N -1 3 300.340 0.362 20 5 DCBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610263290 397811001 /nfs/dbraw/zinc/81/10/01/397811001.db2.gz RCUMSBRSRICVHJ-JTQLQIEISA-N -1 3 314.367 0.610 20 5 DCBDHM C[S@@](=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116901696 158168629 /nfs/dbraw/zinc/16/86/29/158168629.db2.gz HVIKYXQSINQHDC-IBGZPJMESA-N -1 3 324.355 0.781 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000122487997 158221955 /nfs/dbraw/zinc/22/19/55/158221955.db2.gz NJKALQYMYCBELB-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000122487997 158221957 /nfs/dbraw/zinc/22/19/57/158221957.db2.gz NJKALQYMYCBELB-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342493946 415192450 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c(Cl)c1 ZINC000295410322 415889077 /nfs/dbraw/zinc/88/90/77/415889077.db2.gz UDWASZXCGGODBA-RKDXNWHRSA-N -1 3 322.726 0.286 20 5 DCBDHM CCc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000297064701 415949657 /nfs/dbraw/zinc/94/96/57/415949657.db2.gz MOLJVORLCQSPSC-UHFFFAOYSA-N -1 3 311.323 0.754 20 5 DCBDHM CCc1nnc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000297064701 415949662 /nfs/dbraw/zinc/94/96/62/415949662.db2.gz MOLJVORLCQSPSC-UHFFFAOYSA-N -1 3 311.323 0.754 20 5 DCBDHM Cc1[nH]nc(C(=O)[N-]c2nnc3n(C)[nH]c(C)c2-3)c1[N+](=O)[O-] ZINC000358241573 416217461 /nfs/dbraw/zinc/21/74/61/416217461.db2.gz JCMUWUWVOJJVLF-UHFFFAOYSA-N -1 3 304.270 0.797 20 5 DCBDHM COCCCn1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445000637 416878039 /nfs/dbraw/zinc/87/80/39/416878039.db2.gz ZSJSDRWXFJQJIJ-UHFFFAOYSA-N -1 3 321.293 1.181 20 5 DCBDHM COCC(COC)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000451887265 417409323 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Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c1[N+](=O)[O-] ZINC000295425137 301556793 /nfs/dbraw/zinc/55/67/93/301556793.db2.gz VJOYMSBXMOIMPE-NXEZZACHSA-N -1 3 316.335 0.250 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000289733232 302050763 /nfs/dbraw/zinc/05/07/63/302050763.db2.gz XSBXZVYOBVPXCZ-GFCCVEGCSA-N -1 3 314.319 0.887 20 5 DCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000267810445 523929735 /nfs/dbraw/zinc/92/97/35/523929735.db2.gz VOOMWXDEBXHYGL-LLVKDONJSA-N -1 3 314.319 0.825 20 5 DCBDHM O=C1NCCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826482536 607840981 /nfs/dbraw/zinc/84/09/81/607840981.db2.gz IKSBBTOILDSYRA-JTQLQIEISA-N -1 3 317.309 0.856 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000738369793 598502397 /nfs/dbraw/zinc/50/23/97/598502397.db2.gz OVBPRMRTQAWXQB-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000738369793 598502399 /nfs/dbraw/zinc/50/23/99/598502399.db2.gz OVBPRMRTQAWXQB-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM CC[C@@H](C)[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736333927 598774395 /nfs/dbraw/zinc/77/43/95/598774395.db2.gz WAZQABKXWUPWHG-GMSGAONNSA-N -1 3 307.314 0.989 20 5 DCBDHM CC[C@@H](C)[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736333927 598774397 /nfs/dbraw/zinc/77/43/97/598774397.db2.gz WAZQABKXWUPWHG-GMSGAONNSA-N -1 3 307.314 0.989 20 5 DCBDHM COC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000821684808 599587661 /nfs/dbraw/zinc/58/76/61/599587661.db2.gz LEGJTJABPCFMFU-SECBINFHSA-N -1 3 321.297 0.022 20 5 DCBDHM COC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000821684808 599587663 /nfs/dbraw/zinc/58/76/63/599587663.db2.gz LEGJTJABPCFMFU-SECBINFHSA-N -1 3 321.297 0.022 20 5 DCBDHM CCN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1C ZINC000825465786 607821971 /nfs/dbraw/zinc/82/19/71/607821971.db2.gz QPBYYAJPYAEWHB-SECBINFHSA-N -1 3 318.341 0.700 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@]2(O)CCSC2)c(-c2nnn[n-]2)c1 ZINC000823651136 606165624 /nfs/dbraw/zinc/16/56/24/606165624.db2.gz GUDDLNSQFHVHIB-NSHDSACASA-N -1 3 323.338 0.450 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@]2(O)CCSC2)c(-c2nn[n-]n2)c1 ZINC000823651136 606165627 /nfs/dbraw/zinc/16/56/27/606165627.db2.gz GUDDLNSQFHVHIB-NSHDSACASA-N -1 3 323.338 0.450 20 5 DCBDHM CCNC(=O)C1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821286847 606438945 /nfs/dbraw/zinc/43/89/45/606438945.db2.gz YAQHMPOUOQUSDN-UHFFFAOYSA-N -1 3 317.309 0.347 20 5 DCBDHM CCNC(=O)C1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821286847 606438947 /nfs/dbraw/zinc/43/89/47/606438947.db2.gz YAQHMPOUOQUSDN-UHFFFAOYSA-N -1 3 317.309 0.347 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@]1(O)CCOC1 ZINC000826497286 607851458 /nfs/dbraw/zinc/85/14/58/607851458.db2.gz AYHDIOLBBKQTOG-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@]1(O)CCOC1 ZINC000826497286 607851459 /nfs/dbraw/zinc/85/14/59/607851459.db2.gz AYHDIOLBBKQTOG-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC000825219989 608018080 /nfs/dbraw/zinc/01/80/80/608018080.db2.gz ODJDAGUCBDQOOW-GMSGAONNSA-N -1 3 305.298 0.377 20 5 DCBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC000825219989 608018081 /nfs/dbraw/zinc/01/80/81/608018081.db2.gz ODJDAGUCBDQOOW-GMSGAONNSA-N -1 3 305.298 0.377 20 5 DCBDHM COC[C@@H](O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826151675 608230185 /nfs/dbraw/zinc/23/01/85/608230185.db2.gz HHVVMSMBCXNPOY-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@H](O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826151675 608230187 /nfs/dbraw/zinc/23/01/87/608230187.db2.gz HHVVMSMBCXNPOY-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM O=C(NC1CN(Cc2ccccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001030600497 664599637 /nfs/dbraw/zinc/59/96/37/664599637.db2.gz ASZQCBKJJIUFIT-UHFFFAOYSA-N -1 3 302.294 0.327 20 5 DCBDHM Cn1c2ccc(OC(=O)c3cc([N+](=O)[O-])n[n-]3)cc2n(C)c1=O ZINC000794172124 669803751 /nfs/dbraw/zinc/80/37/51/669803751.db2.gz WSHIPYYRVNJZNR-UHFFFAOYSA-N -1 3 317.261 0.728 20 5 DCBDHM CCNC(=O)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580417 670697696 /nfs/dbraw/zinc/69/76/96/670697696.db2.gz RGTHGRQBDOKZJF-UHFFFAOYSA-N -1 3 317.248 0.819 20 5 DCBDHM CCn1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000859252753 671087435 /nfs/dbraw/zinc/08/74/35/671087435.db2.gz UCGDPSPPVGMCEF-UHFFFAOYSA-N -1 3 311.323 0.685 20 5 DCBDHM Cn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nn1 ZINC000826361596 671486597 /nfs/dbraw/zinc/48/65/97/671486597.db2.gz FDLHDCSHGQJBSS-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1 ZINC000826361596 671486598 /nfs/dbraw/zinc/48/65/98/671486598.db2.gz FDLHDCSHGQJBSS-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM O=C(NCc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])c[nH]1 ZINC001582548210 1166039461 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0.743 20 5 DCBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC(=O)N1 ZINC001590134318 1166784134 /nfs/dbraw/zinc/78/41/34/1166784134.db2.gz VNQFCJXUHUVWLF-ZDUSSCGKSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC(=O)N1 ZINC001590134318 1166784140 /nfs/dbraw/zinc/78/41/40/1166784140.db2.gz VNQFCJXUHUVWLF-ZDUSSCGKSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001590310455 1166857008 /nfs/dbraw/zinc/85/70/08/1166857008.db2.gz ZENUMUGQCWOEBQ-MRVPVSSYSA-N -1 3 317.309 0.095 20 5 DCBDHM C[C@@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001590310455 1166857012 /nfs/dbraw/zinc/85/70/12/1166857012.db2.gz ZENUMUGQCWOEBQ-MRVPVSSYSA-N -1 3 317.309 0.095 20 5 DCBDHM CC[S@](=O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590851175 1167038471 /nfs/dbraw/zinc/03/84/71/1167038471.db2.gz IUDOMNPPMMYSNB-NRFANRHFSA-N -1 3 311.327 0.350 20 5 DCBDHM CC[S@](=O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590851175 1167038477 /nfs/dbraw/zinc/03/84/77/1167038477.db2.gz IUDOMNPPMMYSNB-NRFANRHFSA-N -1 3 311.327 0.350 20 5 DCBDHM Cc1cc(NC[C@@H]2CNC(=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045564 1167443713 /nfs/dbraw/zinc/44/37/13/1167443713.db2.gz UOJYHSOODIBUMH-MRVPVSSYSA-N -1 3 317.309 0.631 20 5 DCBDHM Cc1cc(NC[C@@H]2CNC(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045564 1167443717 /nfs/dbraw/zinc/44/37/17/1167443717.db2.gz UOJYHSOODIBUMH-MRVPVSSYSA-N -1 3 317.309 0.631 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592602889 1167581237 /nfs/dbraw/zinc/58/12/37/1167581237.db2.gz YPGQZBAPHHCAMX-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592602889 1167581240 /nfs/dbraw/zinc/58/12/40/1167581240.db2.gz YPGQZBAPHHCAMX-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001592938076 1167668244 /nfs/dbraw/zinc/66/82/44/1167668244.db2.gz XUSSWGVUXWHBAU-UHFFFAOYSA-N -1 3 315.249 0.577 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC001593212107 1167738992 /nfs/dbraw/zinc/73/89/92/1167738992.db2.gz HJFNSNCFDARJPL-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001593212107 1167738997 /nfs/dbraw/zinc/73/89/97/1167738997.db2.gz HJFNSNCFDARJPL-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@H](CCCO)C1 ZINC001593469834 1167859508 /nfs/dbraw/zinc/85/95/08/1167859508.db2.gz IDXOMNZQMUUKFU-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@H](CCCO)C1 ZINC001593469834 1167859518 /nfs/dbraw/zinc/85/95/18/1167859518.db2.gz IDXOMNZQMUUKFU-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H](O)C12CCC2 ZINC001593471791 1167865184 /nfs/dbraw/zinc/86/51/84/1167865184.db2.gz UOBASHMCDUFAHM-ZJUUUORDSA-N -1 3 317.309 0.885 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H](O)C12CCC2 ZINC001593471791 1167865192 /nfs/dbraw/zinc/86/51/92/1167865192.db2.gz UOBASHMCDUFAHM-ZJUUUORDSA-N -1 3 317.309 0.885 20 5 DCBDHM O=C([O-])[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(O)c1 ZINC001601675653 1168812503 /nfs/dbraw/zinc/81/25/03/1168812503.db2.gz RJLXXUGBBZXVJB-GFCCVEGCSA-N -1 3 306.278 0.912 20 5 DCBDHM O=C([O-])[C@H]1C[C@@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001601769484 1168866258 /nfs/dbraw/zinc/86/62/58/1168866258.db2.gz OFQDGULDMJVCKQ-WDEREUQCSA-N -1 3 310.306 0.741 20 5 DCBDHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])OCCO ZINC001603151621 1169257061 /nfs/dbraw/zinc/25/70/61/1169257061.db2.gz QXGBFYSXMAFUCF-UHFFFAOYSA-N -1 3 323.313 0.369 20 5 DCBDHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])OCCO ZINC001603151621 1169257067 /nfs/dbraw/zinc/25/70/67/1169257067.db2.gz QXGBFYSXMAFUCF-UHFFFAOYSA-N -1 3 323.313 0.369 20 5 DCBDHM C[C@H](C[S@@](C)=O)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603572017 1169327112 /nfs/dbraw/zinc/32/71/12/1169327112.db2.gz 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CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000185070814 396316202 /nfs/dbraw/zinc/31/62/02/396316202.db2.gz BAJPPMODEHIUTG-UHFFFAOYSA-N -1 3 322.365 0.620 20 5 DCBDHM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C1(c2nnc[nH]2)CCC1 ZINC000594771794 396511551 /nfs/dbraw/zinc/51/15/51/396511551.db2.gz FJQKWJMAOQIRRR-UHFFFAOYSA-N -1 3 324.322 0.466 20 5 DCBDHM O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000563399161 396728760 /nfs/dbraw/zinc/72/87/60/396728760.db2.gz VMUWUXBXBSPDRF-OAHLLOKOSA-N -1 3 321.333 0.487 20 5 DCBDHM C[C@H]1C[C@H](N2CCOCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231946 396739876 /nfs/dbraw/zinc/73/98/76/396739876.db2.gz NEPHJPNTRRSPFJ-QWRGUYRKSA-N -1 3 308.338 0.995 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000377511366 397091465 /nfs/dbraw/zinc/09/14/65/397091465.db2.gz JJPSFTVWJGZJMU-ONGXEEELSA-N -1 3 322.321 0.288 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)CC(N)=O ZINC000619486711 397137389 /nfs/dbraw/zinc/13/73/89/397137389.db2.gz SAWDDBZYFMAFLL-SSDOTTSWSA-N -1 3 317.323 0.146 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000603479456 397613402 /nfs/dbraw/zinc/61/34/02/397613402.db2.gz XIVHEUOPJPTNNS-VIFPVBQESA-N -1 3 306.278 0.830 20 5 DCBDHM CC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000126166282 158261809 /nfs/dbraw/zinc/26/18/09/158261809.db2.gz ZNSCUTFYSCZWRU-VIFPVBQESA-N -1 3 304.324 0.653 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048665109 415297212 /nfs/dbraw/zinc/29/72/12/415297212.db2.gz BTRKLVSIBIJMHL-UHFFFAOYSA-N -1 3 321.742 0.663 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000352779498 415315556 /nfs/dbraw/zinc/31/55/56/415315556.db2.gz PKQDDOCLQYUPBP-LBPRGKRZSA-N -1 3 320.305 0.210 20 5 DCBDHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352986936 415393226 /nfs/dbraw/zinc/39/32/26/415393226.db2.gz JQSTUUYUPFXBSX-SNVBAGLBSA-N -1 3 319.277 1.522 20 5 DCBDHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352995897 415394725 /nfs/dbraw/zinc/39/47/25/415394725.db2.gz XFOZBJGGTZVUBG-SNVBAGLBSA-N -1 3 319.277 1.522 20 5 DCBDHM O=c1[n-]nc([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)o1 ZINC000295458207 415894931 /nfs/dbraw/zinc/89/49/31/415894931.db2.gz WZKCASJZINROAX-VIFPVBQESA-N -1 3 308.298 0.347 20 5 DCBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000298838166 416033830 /nfs/dbraw/zinc/03/38/30/416033830.db2.gz FQCZQYZVMSTSDG-QMMMGPOBSA-N -1 3 311.323 0.763 20 5 DCBDHM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1CCO ZINC000614932414 416729235 /nfs/dbraw/zinc/72/92/35/416729235.db2.gz NBLWYECKXZKGHK-UHFFFAOYSA-N -1 3 324.337 0.224 20 5 DCBDHM CC(=O)N1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000517756307 416823701 /nfs/dbraw/zinc/82/37/01/416823701.db2.gz BYSYFFBFRVZHEV-UHFFFAOYSA-N -1 3 319.364 0.474 20 5 DCBDHM CCOC(=O)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000615919131 416934592 /nfs/dbraw/zinc/93/45/92/416934592.db2.gz AUZNXJMYBPWIAI-UHFFFAOYSA-N -1 3 319.277 0.820 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCO1 ZINC000447945764 417051031 /nfs/dbraw/zinc/05/10/31/417051031.db2.gz XWEAAZYOZPAPOV-GXSJLCMTSA-N -1 3 316.335 0.413 20 5 DCBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)NC ZINC000452089488 417448395 /nfs/dbraw/zinc/44/83/95/417448395.db2.gz QZZQRPOUAQBPQQ-ZETCQYMHSA-N -1 3 321.380 0.768 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033741 261106165 /nfs/dbraw/zinc/10/61/65/261106165.db2.gz XPDIGHODLQTIMT-UHFFFAOYSA-N -1 3 301.324 0.318 20 5 DCBDHM Cc1n[nH]c(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1[N+](=O)[O-] ZINC000549726590 288202249 /nfs/dbraw/zinc/20/22/49/288202249.db2.gz KHBXZAACVOONHZ-ZETCQYMHSA-N -1 3 320.313 0.145 20 5 DCBDHM Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1[N+](=O)[O-] ZINC000549726590 288202252 /nfs/dbraw/zinc/20/22/52/288202252.db2.gz KHBXZAACVOONHZ-ZETCQYMHSA-N -1 3 320.313 0.145 20 5 DCBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)NCCN(C)C ZINC000552081521 288263991 /nfs/dbraw/zinc/26/39/91/288263991.db2.gz LHJPWYWTLIFQGW-SECBINFHSA-N -1 3 324.337 0.097 20 5 DCBDHM C[S@@](=O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116901369 525366420 /nfs/dbraw/zinc/36/64/20/525366420.db2.gz RVMGVIIUWBBXQE-SFHVURJKSA-N -1 3 306.365 0.642 20 5 DCBDHM CN(C)C(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736746483 598499561 /nfs/dbraw/zinc/49/95/61/598499561.db2.gz JDPAYEPLIIROHW-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM CN(C)C(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736746483 598499562 /nfs/dbraw/zinc/49/95/62/598499562.db2.gz JDPAYEPLIIROHW-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498730 607851340 /nfs/dbraw/zinc/85/13/40/607851340.db2.gz HJIMVFHMCZITPF-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@]2(O)CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498730 607851341 /nfs/dbraw/zinc/85/13/41/607851341.db2.gz HJIMVFHMCZITPF-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC000825210685 608017807 /nfs/dbraw/zinc/01/78/07/608017807.db2.gz IWMSCEMFOCTSMC-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC000825210685 608017808 /nfs/dbraw/zinc/01/78/08/608017808.db2.gz IWMSCEMFOCTSMC-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM O=C1OCC[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000728292208 662375008 /nfs/dbraw/zinc/37/50/08/662375008.db2.gz PKLUTMPKYMFIOF-JTQLQIEISA-N -1 3 300.292 0.330 20 5 DCBDHM CN1C(=O)CN([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000779540415 668912427 /nfs/dbraw/zinc/91/24/27/668912427.db2.gz FTDJHFXBOKITGI-UHFFFAOYSA-N -1 3 312.669 0.787 20 5 DCBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]CC2OCCCO2)c1 ZINC000788415274 669438648 /nfs/dbraw/zinc/43/86/48/669438648.db2.gz FUSGMFRJPMEXJT-UHFFFAOYSA-N -1 3 316.335 0.777 20 5 DCBDHM COC(=O)[C@H](CSc1cc[n-]c(=O)c1[N+](=O)[O-])NC(C)=O ZINC000853585910 671248948 /nfs/dbraw/zinc/24/89/48/671248948.db2.gz KWHGPKFIPNTRPT-ZETCQYMHSA-N -1 3 315.307 0.465 20 5 DCBDHM Cc1nn(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(=O)o1 ZINC001581603714 1165848841 /nfs/dbraw/zinc/84/88/41/1165848841.db2.gz HAJWFWYZKFHMKE-UHFFFAOYSA-N -1 3 303.238 0.281 20 5 DCBDHM Cc1nn(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(=O)o1 ZINC001581603714 1165848852 /nfs/dbraw/zinc/84/88/52/1165848852.db2.gz HAJWFWYZKFHMKE-UHFFFAOYSA-N -1 3 303.238 0.281 20 5 DCBDHM C[C@@H]1C(=O)N([N-]C(=O)c2cccc([N+](=O)[O-])c2N)C(=O)N1C ZINC001585138830 1166405079 /nfs/dbraw/zinc/40/50/79/1166405079.db2.gz VALUHYHLMDVOFK-ZCFIWIBFSA-N -1 3 307.266 0.104 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589994226 1166739974 /nfs/dbraw/zinc/73/99/74/1166739974.db2.gz FEGLIJPULSPYQA-PSASIEDQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589994226 1166739977 /nfs/dbraw/zinc/73/99/77/1166739977.db2.gz FEGLIJPULSPYQA-PSASIEDQSA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(C(N)=O)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590071873 1166763658 /nfs/dbraw/zinc/76/36/58/1166763658.db2.gz ASAXVZNDVVKVAB-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM C[C@H]1C[C@@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590193663 1166806713 /nfs/dbraw/zinc/80/67/13/1166806713.db2.gz QUHHTPCBFRTHDE-DTWKUNHWSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1C[C@@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590193663 1166806717 /nfs/dbraw/zinc/80/67/17/1166806717.db2.gz QUHHTPCBFRTHDE-DTWKUNHWSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001590276118 1166837386 /nfs/dbraw/zinc/83/73/86/1166837386.db2.gz JLKOGHHGDNDRPH-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001590276118 1166837390 /nfs/dbraw/zinc/83/73/90/1166837390.db2.gz JLKOGHHGDNDRPH-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001590311023 1166856437 /nfs/dbraw/zinc/85/64/37/1166856437.db2.gz DBZJLJAYCVLPDR-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001590311023 1166856440 /nfs/dbraw/zinc/85/64/40/1166856440.db2.gz DBZJLJAYCVLPDR-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM CCOC(=O)CCN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590762829 1167011070 /nfs/dbraw/zinc/01/10/70/1167011070.db2.gz UIPYUCOWCCFIAE-UHFFFAOYSA-N -1 3 321.297 0.559 20 5 DCBDHM CCOC(=O)CCN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590762829 1167011076 /nfs/dbraw/zinc/01/10/76/1167011076.db2.gz UIPYUCOWCCFIAE-UHFFFAOYSA-N -1 3 321.297 0.559 20 5 DCBDHM CCOC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590800818 1167023940 /nfs/dbraw/zinc/02/39/40/1167023940.db2.gz WCHRODXTGDMUFH-SECBINFHSA-N -1 3 309.282 0.551 20 5 DCBDHM CCOC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590800818 1167023945 /nfs/dbraw/zinc/02/39/45/1167023945.db2.gz WCHRODXTGDMUFH-SECBINFHSA-N -1 3 309.282 0.551 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591125694 1167111157 /nfs/dbraw/zinc/11/11/57/1167111157.db2.gz KOZFZSZEXCZPEC-OCAPTIKFSA-N -1 3 319.325 0.564 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591125694 1167111162 /nfs/dbraw/zinc/11/11/62/1167111162.db2.gz KOZFZSZEXCZPEC-OCAPTIKFSA-N -1 3 319.325 0.564 20 5 DCBDHM COC[C@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591380806 1167248685 /nfs/dbraw/zinc/24/86/85/1167248685.db2.gz NYZDDSRTBHGNEJ-SSDOTTSWSA-N -1 3 323.313 0.166 20 5 DCBDHM COC[C@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591380806 1167248745 /nfs/dbraw/zinc/24/87/45/1167248745.db2.gz NYZDDSRTBHGNEJ-SSDOTTSWSA-N -1 3 323.313 0.166 20 5 DCBDHM COC[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001591396542 1167266331 /nfs/dbraw/zinc/26/63/31/1167266331.db2.gz ZFGRJAOFTPVBCI-SECBINFHSA-N -1 3 320.309 0.627 20 5 DCBDHM COC[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001591396542 1167266337 /nfs/dbraw/zinc/26/63/37/1167266337.db2.gz ZFGRJAOFTPVBCI-SECBINFHSA-N -1 3 320.309 0.627 20 5 DCBDHM C[C@@H](O)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591731516 1167363658 /nfs/dbraw/zinc/36/36/58/1167363658.db2.gz CTIPAWXLNKLVJN-MRVPVSSYSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@@H](O)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591731516 1167363661 /nfs/dbraw/zinc/36/36/61/1167363661.db2.gz CTIPAWXLNKLVJN-MRVPVSSYSA-N -1 3 319.325 0.767 20 5 DCBDHM Cc1cc(N(C)CCC(N)=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591995565 1167430040 /nfs/dbraw/zinc/43/00/40/1167430040.db2.gz KEQYWUHQTNXIJK-UHFFFAOYSA-N -1 3 305.298 0.395 20 5 DCBDHM Cc1cc(N(C)CCC(N)=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591995565 1167430044 /nfs/dbraw/zinc/43/00/44/1167430044.db2.gz KEQYWUHQTNXIJK-UHFFFAOYSA-N -1 3 305.298 0.395 20 5 DCBDHM Cc1n[nH]cc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592331597 1167490700 /nfs/dbraw/zinc/49/07/00/1167490700.db2.gz JWDWDSFHIMFXOR-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1n[nH]cc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592331597 1167490705 /nfs/dbraw/zinc/49/07/05/1167490705.db2.gz JWDWDSFHIMFXOR-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM NC(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592720361 1167612447 /nfs/dbraw/zinc/61/24/47/1167612447.db2.gz LCNXMJJZFKXAOY-QMMMGPOBSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592720361 1167612452 /nfs/dbraw/zinc/61/24/52/1167612452.db2.gz LCNXMJJZFKXAOY-QMMMGPOBSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592734880 1167621750 /nfs/dbraw/zinc/62/17/50/1167621750.db2.gz UHUXRHPVOSFBTQ-ZKCHVHJHSA-N -1 3 303.282 0.451 20 5 DCBDHM NC(=O)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592734880 1167621763 /nfs/dbraw/zinc/62/17/63/1167621763.db2.gz UHUXRHPVOSFBTQ-ZKCHVHJHSA-N -1 3 303.282 0.451 20 5 DCBDHM O=C(Cn1ncc([N+](=O)[O-])n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001592942779 1167670490 /nfs/dbraw/zinc/67/04/90/1167670490.db2.gz XWDWJLKQMOCRLZ-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM O=C(Cn1ncc([N+](=O)[O-])n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592942779 1167670493 /nfs/dbraw/zinc/67/04/93/1167670493.db2.gz XWDWJLKQMOCRLZ-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1(CCO)CC1 ZINC001593470386 1167857435 /nfs/dbraw/zinc/85/74/35/1167857435.db2.gz IHUBROXDYNZYKY-UHFFFAOYSA-N -1 3 305.298 0.744 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1(CCO)CC1 ZINC001593470386 1167857442 /nfs/dbraw/zinc/85/74/42/1167857442.db2.gz IHUBROXDYNZYKY-UHFFFAOYSA-N -1 3 305.298 0.744 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@](F)(CO)C1 ZINC001593469714 1167858693 /nfs/dbraw/zinc/85/86/93/1167858693.db2.gz CUMNSWMYXUQSMH-LLVKDONJSA-N -1 3 309.261 0.081 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@](F)(CO)C1 ZINC001593469714 1167858712 /nfs/dbraw/zinc/85/87/12/1167858712.db2.gz CUMNSWMYXUQSMH-LLVKDONJSA-N -1 3 309.261 0.081 20 5 DCBDHM O=[N+]([O-])c1cc(NCC[C@]2(O)CCOC2)ccc1-c1nnn[n-]1 ZINC001593475065 1167862147 /nfs/dbraw/zinc/86/21/47/1167862147.db2.gz YECIVCVXKADDAO-ZDUSSCGKSA-N -1 3 320.309 0.728 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593470690 1167862256 /nfs/dbraw/zinc/86/22/56/1167862256.db2.gz KOSOUEGQOAQVDU-RMAYHROUSA-N -1 3 315.293 0.758 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593470690 1167862270 /nfs/dbraw/zinc/86/22/70/1167862270.db2.gz KOSOUEGQOAQVDU-RMAYHROUSA-N -1 3 315.293 0.758 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(CO)CC1 ZINC001593474994 1167863700 /nfs/dbraw/zinc/86/37/00/1167863700.db2.gz NICOTXBIVAYANN-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(CO)CC1 ZINC001593474994 1167863712 /nfs/dbraw/zinc/86/37/12/1167863712.db2.gz NICOTXBIVAYANN-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCn2nccc2C1 ZINC001593480043 1167866334 /nfs/dbraw/zinc/86/63/34/1167866334.db2.gz DEBGJASCIOVQAV-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCn2nccc2C1 ZINC001593480043 1167866341 /nfs/dbraw/zinc/86/63/41/1167866341.db2.gz DEBGJASCIOVQAV-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001593479856 1167867621 /nfs/dbraw/zinc/86/76/21/1167867621.db2.gz ARPOKCPETDCLKO-ONOSFVFSSA-N -1 3 320.309 0.461 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001593479856 1167867630 /nfs/dbraw/zinc/86/76/30/1167867630.db2.gz ARPOKCPETDCLKO-ONOSFVFSSA-N -1 3 320.309 0.461 20 5 DCBDHM O=c1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n[nH]1 ZINC001593496490 1167880433 /nfs/dbraw/zinc/88/04/33/1167880433.db2.gz LZJJWFDZXHBNDC-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM O=c1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n[nH]1 ZINC001593496490 1167880439 /nfs/dbraw/zinc/88/04/39/1167880439.db2.gz LZJJWFDZXHBNDC-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1O ZINC001604112724 1169495958 /nfs/dbraw/zinc/49/59/58/1169495958.db2.gz ZDNXYTDIBYMNCJ-XCBNKYQSSA-N -1 3 319.325 0.564 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1O ZINC001604112724 1169495964 /nfs/dbraw/zinc/49/59/64/1169495964.db2.gz ZDNXYTDIBYMNCJ-XCBNKYQSSA-N -1 3 319.325 0.564 20 5 DCBDHM CCN1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001604336993 1169559996 /nfs/dbraw/zinc/55/99/96/1169559996.db2.gz ZVRSVORCYFCCSC-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O ZINC001604336993 1169559998 /nfs/dbraw/zinc/55/99/98/1169559998.db2.gz ZVRSVORCYFCCSC-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM COC(=O)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604901825 1169737609 /nfs/dbraw/zinc/73/76/09/1169737609.db2.gz AMGICLRGPGUGCB-ZCFIWIBFSA-N -1 3 307.270 0.391 20 5 DCBDHM COC(=O)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604901825 1169737611 /nfs/dbraw/zinc/73/76/11/1169737611.db2.gz AMGICLRGPGUGCB-ZCFIWIBFSA-N -1 3 307.270 0.391 20 5 DCBDHM COC(=O)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604946012 1169758202 /nfs/dbraw/zinc/75/82/02/1169758202.db2.gz MFZSDBWAXHYMID-ZCFIWIBFSA-N -1 3 307.270 0.533 20 5 DCBDHM COC(=O)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604946012 1169758207 /nfs/dbraw/zinc/75/82/07/1169758207.db2.gz MFZSDBWAXHYMID-ZCFIWIBFSA-N -1 3 307.270 0.533 20 5 DCBDHM O=C1CCCN1CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001607043670 1170364739 /nfs/dbraw/zinc/36/47/39/1170364739.db2.gz LKZBRDXRBNXZRG-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=C1COC(=O)N1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001607047934 1170370657 /nfs/dbraw/zinc/37/06/57/1170370657.db2.gz SPIBHMLLEDPPSF-UHFFFAOYSA-N -1 3 304.222 0.254 20 5 DCBDHM O=C1COC(=O)N1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001607047934 1170370664 /nfs/dbraw/zinc/37/06/64/1170370664.db2.gz SPIBHMLLEDPPSF-UHFFFAOYSA-N -1 3 304.222 0.254 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC(F)(F)CO ZINC001607083598 1170383238 /nfs/dbraw/zinc/38/32/38/1170383238.db2.gz IZYYETPUKKUKSL-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC(F)(F)CO ZINC001607083598 1170383243 /nfs/dbraw/zinc/38/32/43/1170383243.db2.gz IZYYETPUKKUKSL-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001607081543 1170383259 /nfs/dbraw/zinc/38/32/59/1170383259.db2.gz GNDGMLFAIICOPT-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001607081543 1170383263 /nfs/dbraw/zinc/38/32/63/1170383263.db2.gz GNDGMLFAIICOPT-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@H]2COC[C@H]2C1 ZINC001607080942 1170383752 /nfs/dbraw/zinc/38/37/52/1170383752.db2.gz VFSREFCAGPANDT-WCBMZHEXSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@H]2COC[C@H]2C1 ZINC001607080942 1170383758 /nfs/dbraw/zinc/38/37/58/1170383758.db2.gz VFSREFCAGPANDT-WCBMZHEXSA-N -1 3 317.309 0.643 20 5 DCBDHM C[S@@](=O)CCN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607384795 1170442965 /nfs/dbraw/zinc/44/29/65/1170442965.db2.gz XJZPYNRAQKBDNU-FKIZINRSSA-N -1 3 300.336 0.863 20 5 DCBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001609202438 1170866427 /nfs/dbraw/zinc/86/64/27/1170866427.db2.gz HYMGXYAEVQBQRH-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM COCCCN(CCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609323260 1170937755 /nfs/dbraw/zinc/93/77/55/1170937755.db2.gz NJKAWNNDUSSUMS-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM COCCCN(CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609323260 1170937760 /nfs/dbraw/zinc/93/77/60/1170937760.db2.gz NJKAWNNDUSSUMS-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM CS(=O)(=O)C1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609365733 1170950432 /nfs/dbraw/zinc/95/04/32/1170950432.db2.gz JKUAHFFTHYKENR-UHFFFAOYSA-N -1 3 324.322 0.008 20 5 DCBDHM CS(=O)(=O)C1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609365733 1170950437 /nfs/dbraw/zinc/95/04/37/1170950437.db2.gz JKUAHFFTHYKENR-UHFFFAOYSA-N -1 3 324.322 0.008 20 5 DCBDHM Cc1cc(NC[C@@](C)(O)CO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409777 1170969574 /nfs/dbraw/zinc/96/95/74/1170969574.db2.gz WRQLBHKSFMDBGL-GFCCVEGCSA-N -1 3 308.298 0.239 20 5 DCBDHM Cc1cc(NC[C@@](C)(O)CO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409777 1170969581 /nfs/dbraw/zinc/96/95/81/1170969581.db2.gz WRQLBHKSFMDBGL-GFCCVEGCSA-N -1 3 308.298 0.239 20 5 DCBDHM O=C(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1CCCC1 ZINC001609528378 1171009573 /nfs/dbraw/zinc/00/95/73/1171009573.db2.gz LUXSMTPJILYCJL-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1CCCC1 ZINC001609528378 1171009579 /nfs/dbraw/zinc/00/95/79/1171009579.db2.gz LUXSMTPJILYCJL-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM Nc1c(C(=O)NCCCc2c[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC001641483607 1171918268 /nfs/dbraw/zinc/91/82/68/1171918268.db2.gz LMIVPLBGFGJJTF-QMMMGPOBSA-N -1 3 305.294 0.419 20 5 DCBDHM Cc1cc([N+](=O)[O-])cc(C(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001647859368 1173058515 /nfs/dbraw/zinc/05/85/15/1173058515.db2.gz PMTLLFJZASCORU-SECBINFHSA-N -1 3 305.294 0.540 20 5 DCBDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C2 ZINC001648022345 1173064873 /nfs/dbraw/zinc/06/48/73/1173064873.db2.gz WJATWJATXDOFLP-UHFFFAOYSA-N -1 3 304.266 0.288 20 5 DCBDHM COC(=O)c1cc(C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)[nH]n1 ZINC001655935308 1173831963 /nfs/dbraw/zinc/83/19/63/1173831963.db2.gz WBGGFWJJZLQNGL-UHFFFAOYSA-N -1 3 319.277 0.809 20 5 DCBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1cnon1 ZINC001059280803 748923458 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/nfs/dbraw/zinc/42/38/76/417423876.db2.gz FHYQCYVEMWPXJB-SECBINFHSA-N -1 3 315.351 0.706 20 5 DCBDHM CNc1nc(C(=O)[N-]c2nncn2C2CC2)ccc1[N+](=O)[O-] ZINC000456049882 417622567 /nfs/dbraw/zinc/62/25/67/417622567.db2.gz CMTCTHJHWYNCHB-UHFFFAOYSA-N -1 3 303.282 1.210 20 5 DCBDHM CNc1nccc(C(=O)[N-]c2nnc(C)n2C2CC2)c1[N+](=O)[O-] ZINC000578521012 417684679 /nfs/dbraw/zinc/68/46/79/417684679.db2.gz JZWDTSMTHZACOU-UHFFFAOYSA-N -1 3 317.309 1.519 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCS(C)(=O)=O ZINC000263945336 261167768 /nfs/dbraw/zinc/16/77/68/261167768.db2.gz UCJCGPRWNFBBBQ-UHFFFAOYSA-N -1 3 322.364 0.226 20 5 DCBDHM NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420716871 262382330 /nfs/dbraw/zinc/38/23/30/262382330.db2.gz LBBAYPITOHCAIE-BDAKNGLRSA-N -1 3 313.335 0.527 20 5 DCBDHM CN(C)CC[C@](C)(O)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000420010071 271350603 /nfs/dbraw/zinc/35/06/03/271350603.db2.gz GILSLNWUDIZFIT-AWEZNQCLSA-N -1 3 311.338 0.733 20 5 DCBDHM CNC(=O)c1ccc(NCCc2c(C)[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC000522250559 272548656 /nfs/dbraw/zinc/54/86/56/272548656.db2.gz YQUWGDQGTLTDAH-SNVBAGLBSA-N -1 3 319.321 0.878 20 5 DCBDHM C[C@]1(C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)NC(=O)[N-]C1=O ZINC000343346863 280161231 /nfs/dbraw/zinc/16/12/31/280161231.db2.gz IQWCEUFBLKSSLT-ISVAXAHUSA-N -1 3 320.309 0.342 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCCc2c(C)[n-][nH]c2=O)n1 ZINC000553050535 288285309 /nfs/dbraw/zinc/28/53/09/288285309.db2.gz TXOORVPHCAZICI-QMMMGPOBSA-N -1 3 321.293 0.700 20 5 DCBDHM O=C(NC[C@@]1(O)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000556852939 288400168 /nfs/dbraw/zinc/40/01/68/288400168.db2.gz YRWIARLNPALKFX-OAHLLOKOSA-N -1 3 321.333 0.487 20 5 DCBDHM O=C(NCC1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184599505 534819941 /nfs/dbraw/zinc/81/99/41/534819941.db2.gz BRDBJYVDBMEIJI-UHFFFAOYSA-N -1 3 323.349 0.735 20 5 DCBDHM Cc1nn2c(nnc2SCCn2cc([N+](=O)[O-])cn2)[n-]c1=O ZINC000266857663 526313743 /nfs/dbraw/zinc/31/37/43/526313743.db2.gz VEHHQSDDVHAMRW-UHFFFAOYSA-N -1 3 322.310 0.430 20 5 DCBDHM Cc1nonc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822530524 599065720 /nfs/dbraw/zinc/06/57/20/599065720.db2.gz FTIFNEXRIKQHCE-UHFFFAOYSA-N -1 3 303.242 0.473 20 5 DCBDHM Cc1nonc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822530524 599065722 /nfs/dbraw/zinc/06/57/22/599065722.db2.gz FTIFNEXRIKQHCE-UHFFFAOYSA-N -1 3 303.242 0.473 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000823651071 599078217 /nfs/dbraw/zinc/07/82/17/599078217.db2.gz DNDHPLZQUNAQSP-XVKPBYJWSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H]2O)c(-c2nn[n-]n2)c1 ZINC000823651071 599078219 /nfs/dbraw/zinc/07/82/19/599078219.db2.gz DNDHPLZQUNAQSP-XVKPBYJWSA-N -1 3 305.298 0.743 20 5 DCBDHM COc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1-c1nnn[n-]1 ZINC000826208504 607544178 /nfs/dbraw/zinc/54/41/78/607544178.db2.gz NNPCKLGKBKRLBT-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM COc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1-c1nn[n-]n1 ZINC000826208504 607544179 /nfs/dbraw/zinc/54/41/79/607544179.db2.gz NNPCKLGKBKRLBT-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM C[C@@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824690165 607561137 /nfs/dbraw/zinc/56/11/37/607561137.db2.gz QCOCLWXLDVILOC-RKDXNWHRSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824690165 607561139 /nfs/dbraw/zinc/56/11/39/607561139.db2.gz QCOCLWXLDVILOC-RKDXNWHRSA-N -1 3 319.325 0.767 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CCO)CC1CC1 ZINC000823629948 606163800 /nfs/dbraw/zinc/16/38/00/606163800.db2.gz NDYWTPDIXPPRKZ-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CCO)CC1CC1 ZINC000823629948 606163801 /nfs/dbraw/zinc/16/38/01/606163801.db2.gz NDYWTPDIXPPRKZ-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM Nc1ccnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822907617 606832413 /nfs/dbraw/zinc/83/24/13/606832413.db2.gz VPBYZJIVUPJHKJ-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1ccnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822907617 606832414 /nfs/dbraw/zinc/83/24/14/606832414.db2.gz VPBYZJIVUPJHKJ-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CNCCO1 ZINC000261668299 661375373 /nfs/dbraw/zinc/37/53/73/661375373.db2.gz LCIDLFJVFAFMQJ-MRVPVSSYSA-N -1 3 319.314 0.001 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2nc(C)cc(=O)[n-]2)c1 ZINC000754450941 668046205 /nfs/dbraw/zinc/04/62/05/668046205.db2.gz OIFZVTJWSNPIMI-UHFFFAOYSA-N -1 3 320.261 0.395 20 5 DCBDHM C[C@@H](CN(C)c1nc2ccccn2c1[N+](=O)[O-])c1nnn[n-]1 ZINC000763204035 668400535 /nfs/dbraw/zinc/40/05/35/668400535.db2.gz FEVAELBWXBRHOI-QMMMGPOBSA-N -1 3 302.298 0.996 20 5 DCBDHM C[C@@H](CN(C)c1nc2ccccn2c1[N+](=O)[O-])c1nn[n-]n1 ZINC000763204035 668400537 /nfs/dbraw/zinc/40/05/37/668400537.db2.gz FEVAELBWXBRHOI-QMMMGPOBSA-N -1 3 302.298 0.996 20 5 DCBDHM COc1nnc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC000778955222 668906447 /nfs/dbraw/zinc/90/64/47/668906447.db2.gz IRLSMVKLLAEWDR-UHFFFAOYSA-N -1 3 317.265 0.710 20 5 DCBDHM COc1nc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n[n-]1 ZINC000778955222 668906448 /nfs/dbraw/zinc/90/64/48/668906448.db2.gz IRLSMVKLLAEWDR-UHFFFAOYSA-N -1 3 317.265 0.710 20 5 DCBDHM COc1n[n-]c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000778955222 668906450 /nfs/dbraw/zinc/90/64/50/668906450.db2.gz IRLSMVKLLAEWDR-UHFFFAOYSA-N -1 3 317.265 0.710 20 5 DCBDHM O=C([N-][C@@H]1CNC(=O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586548 670698620 /nfs/dbraw/zinc/69/86/20/670698620.db2.gz MTAPPIBLUDBLHT-ZETCQYMHSA-N -1 3 315.232 0.571 20 5 DCBDHM O=[N+]([O-])c1ccc(NCC2(CO)COC2)c(-c2nnn[n-]2)c1 ZINC000826499181 671490074 /nfs/dbraw/zinc/49/00/74/671490074.db2.gz YWXDBDGZILYRSS-UHFFFAOYSA-N -1 3 306.282 0.196 20 5 DCBDHM O=[N+]([O-])c1ccc(NCC2(CO)COC2)c(-c2nn[n-]n2)c1 ZINC000826499181 671490075 /nfs/dbraw/zinc/49/00/75/671490075.db2.gz YWXDBDGZILYRSS-UHFFFAOYSA-N -1 3 306.282 0.196 20 5 DCBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)OCCO1 ZINC000845905883 672281731 /nfs/dbraw/zinc/28/17/31/672281731.db2.gz XZTMSSXYDWVDNT-UHFFFAOYSA-N -1 3 303.296 0.031 20 5 DCBDHM Cc1nn(C)c(C(=O)NCc2nc(C)cc(=O)[n-]2)c1[N+](=O)[O-] ZINC001648890314 1157431479 /nfs/dbraw/zinc/43/14/79/1157431479.db2.gz AGQDUJQULYYIIO-UHFFFAOYSA-N -1 3 306.282 0.371 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)[C@H]1O ZINC001590318691 1166863732 /nfs/dbraw/zinc/86/37/32/1166863732.db2.gz VZJBBCLXILSVCJ-VROVMSAKSA-N -1 3 319.325 0.623 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)[C@H]1O ZINC001590318691 1166863739 /nfs/dbraw/zinc/86/37/39/1166863739.db2.gz VZJBBCLXILSVCJ-VROVMSAKSA-N -1 3 319.325 0.623 20 5 DCBDHM CN(CC1(O)CCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591051369 1167095447 /nfs/dbraw/zinc/09/54/47/1167095447.db2.gz ZFIUULNMNUDSNA-UHFFFAOYSA-N -1 3 305.298 0.521 20 5 DCBDHM CN(CC1(O)CCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591051369 1167095451 /nfs/dbraw/zinc/09/54/51/1167095451.db2.gz ZFIUULNMNUDSNA-UHFFFAOYSA-N -1 3 305.298 0.521 20 5 DCBDHM CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591063231 1167097519 /nfs/dbraw/zinc/09/75/19/1167097519.db2.gz QYXCSITXKVCPHA-MRVPVSSYSA-N -1 3 319.325 0.830 20 5 DCBDHM CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591063231 1167097526 /nfs/dbraw/zinc/09/75/26/1167097526.db2.gz QYXCSITXKVCPHA-MRVPVSSYSA-N -1 3 319.325 0.830 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591204246 1167152729 /nfs/dbraw/zinc/15/27/29/1167152729.db2.gz MJBSMFCAFUPMKB-ZETCQYMHSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591204246 1167152734 /nfs/dbraw/zinc/15/27/34/1167152734.db2.gz MJBSMFCAFUPMKB-ZETCQYMHSA-N -1 3 305.298 0.711 20 5 DCBDHM COC(=O)NCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591274949 1167194538 /nfs/dbraw/zinc/19/45/38/1167194538.db2.gz FDBFXSJXAXSSMN-UHFFFAOYSA-N -1 3 321.297 0.851 20 5 DCBDHM COC(=O)NCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591274949 1167194542 /nfs/dbraw/zinc/19/45/42/1167194542.db2.gz FDBFXSJXAXSSMN-UHFFFAOYSA-N -1 3 321.297 0.851 20 5 DCBDHM CO[C@](C)(CO)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591318481 1167212694 /nfs/dbraw/zinc/21/26/94/1167212694.db2.gz BMIIVDKJEBRNQA-ZDUSSCGKSA-N -1 3 322.325 0.893 20 5 DCBDHM CO[C@](C)(CO)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591318481 1167212701 /nfs/dbraw/zinc/21/27/01/1167212701.db2.gz BMIIVDKJEBRNQA-ZDUSSCGKSA-N -1 3 322.325 0.893 20 5 DCBDHM CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591354929 1167230217 /nfs/dbraw/zinc/23/02/17/1167230217.db2.gz RVNBEYTVSIOSAL-MRVPVSSYSA-N -1 3 319.325 0.972 20 5 DCBDHM CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591354929 1167230222 /nfs/dbraw/zinc/23/02/22/1167230222.db2.gz RVNBEYTVSIOSAL-MRVPVSSYSA-N -1 3 319.325 0.972 20 5 DCBDHM CO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591354931 1167231132 /nfs/dbraw/zinc/23/11/32/1167231132.db2.gz RVNBEYTVSIOSAL-QMMMGPOBSA-N -1 3 319.325 0.972 20 5 DCBDHM CO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591354931 1167231139 /nfs/dbraw/zinc/23/11/39/1167231139.db2.gz RVNBEYTVSIOSAL-QMMMGPOBSA-N -1 3 319.325 0.972 20 5 DCBDHM COC[C@](C)(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591370090 1167242320 /nfs/dbraw/zinc/24/23/20/1167242320.db2.gz ASPLWSBUMLFTHT-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@](C)(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591370090 1167242327 /nfs/dbraw/zinc/24/23/27/1167242327.db2.gz ASPLWSBUMLFTHT-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@H](O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591380706 1167250239 /nfs/dbraw/zinc/25/02/39/1167250239.db2.gz INGOVFNIXZRREX-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@H](O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591380706 1167250245 /nfs/dbraw/zinc/25/02/45/1167250245.db2.gz INGOVFNIXZRREX-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@@H]1COC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591472107 1167302784 /nfs/dbraw/zinc/30/27/84/1167302784.db2.gz QQSTWFKEFYABDK-GXSJLCMTSA-N -1 3 306.282 0.601 20 5 DCBDHM CO[C@@H]1COC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591472107 1167302789 /nfs/dbraw/zinc/30/27/89/1167302789.db2.gz QQSTWFKEFYABDK-GXSJLCMTSA-N -1 3 306.282 0.601 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](O)[C@@H](F)C2)c1-c1nnn[n-]1 ZINC001592755886 1167632899 /nfs/dbraw/zinc/63/28/99/1167632899.db2.gz CEIHJQLTTWIFKB-IMTBSYHQSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](O)[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001592755886 1167632901 /nfs/dbraw/zinc/63/29/01/1167632901.db2.gz CEIHJQLTTWIFKB-IMTBSYHQSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001592757259 1167633278 /nfs/dbraw/zinc/63/32/78/1167633278.db2.gz OPUSAWIPSOBEKV-MRVPVSSYSA-N -1 3 319.325 0.566 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001592757259 1167633282 /nfs/dbraw/zinc/63/32/82/1167633282.db2.gz OPUSAWIPSOBEKV-MRVPVSSYSA-N -1 3 319.325 0.566 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC001593212235 1167739587 /nfs/dbraw/zinc/73/95/87/1167739587.db2.gz KDPXUUBSJDZACS-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC001593212235 1167739593 /nfs/dbraw/zinc/73/95/93/1167739593.db2.gz KDPXUUBSJDZACS-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=[N+]([O-])c1ccnn1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593468258 1167857355 /nfs/dbraw/zinc/85/73/55/1167857355.db2.gz LJRCBJFDCKRAMT-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1ccnn1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593468258 1167857361 /nfs/dbraw/zinc/85/73/61/1167857361.db2.gz LJRCBJFDCKRAMT-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593468813 1167857826 /nfs/dbraw/zinc/85/78/26/1167857826.db2.gz QVKGFJHLLSLVLK-BRPSZJMVSA-N -1 3 320.284 0.589 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593468813 1167857833 /nfs/dbraw/zinc/85/78/33/1167857833.db2.gz QVKGFJHLLSLVLK-BRPSZJMVSA-N -1 3 320.284 0.589 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Cn1nnc(C2CC2)n1 ZINC001593482271 1167867272 /nfs/dbraw/zinc/86/72/72/1167867272.db2.gz XFSMTGTWAMVLGP-UHFFFAOYSA-N -1 3 313.281 0.687 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Cn1nnc(C2CC2)n1 ZINC001593482271 1167867284 /nfs/dbraw/zinc/86/72/84/1167867284.db2.gz XFSMTGTWAMVLGP-UHFFFAOYSA-N -1 3 313.281 0.687 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCO[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593478901 1167869930 /nfs/dbraw/zinc/86/99/30/1167869930.db2.gz PMKQOVRIFNOVCM-JTQLQIEISA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCO[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593478901 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COc1ccc(S(=O)(=O)[N-]C[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000086631002 395705223 /nfs/dbraw/zinc/70/52/23/395705223.db2.gz HOAUADNTXBYVGE-QMMMGPOBSA-N -1 3 304.324 0.510 20 5 DCBDHM COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032401600 395710736 /nfs/dbraw/zinc/71/07/36/395710736.db2.gz BHNBMXQRLDJOCA-UHFFFAOYSA-N -1 3 304.324 0.918 20 5 DCBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000035610405 395721279 /nfs/dbraw/zinc/72/12/79/395721279.db2.gz VDZWPRVRICCGAI-QMMMGPOBSA-N -1 3 304.324 0.653 20 5 DCBDHM CC1(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000271054570 395834384 /nfs/dbraw/zinc/83/43/84/395834384.db2.gz AELLCLRUZAKJFY-UHFFFAOYSA-N -1 3 316.335 0.777 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271133855 395840714 /nfs/dbraw/zinc/84/07/14/395840714.db2.gz SUMZSLRIDWZOBQ-SECBINFHSA-N -1 3 316.335 0.618 20 5 DCBDHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055214256 395913966 /nfs/dbraw/zinc/91/39/66/395913966.db2.gz VDVTZPGERHZSIH-SSDOTTSWSA-N -1 3 319.314 0.537 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055296308 395916385 /nfs/dbraw/zinc/91/63/85/395916385.db2.gz HYXMHZMDKWOSBE-ZETCQYMHSA-N -1 3 317.323 0.016 20 5 DCBDHM COC[C@H](O)CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000231598145 395884291 /nfs/dbraw/zinc/88/42/91/395884291.db2.gz GVSBNMFLSMQCLY-SNVBAGLBSA-N -1 3 318.351 0.579 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000184298214 396290496 /nfs/dbraw/zinc/29/04/96/396290496.db2.gz UMCDHICPVPTMNZ-UHFFFAOYSA-N -1 3 310.278 0.809 20 5 DCBDHM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000270236315 396463451 /nfs/dbraw/zinc/46/34/51/396463451.db2.gz RMMVOVQPCVHPFP-QMMMGPOBSA-N -1 3 322.364 0.306 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-]C/C=C\CO)cc1[N+](=O)[O-] ZINC000594820117 396521805 /nfs/dbraw/zinc/52/18/05/396521805.db2.gz RAZSLIFQDFDDDZ-IHWYPQMZSA-N -1 3 320.298 0.569 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000531392434 396595421 /nfs/dbraw/zinc/59/54/21/396595421.db2.gz XCWBKMDVNYRNEF-QMMMGPOBSA-N -1 3 305.294 0.419 20 5 DCBDHM O=C(CCNc1ccccc1[N+](=O)[O-])[N-]c1nnc2[nH]cnn12 ZINC000590378530 396763868 /nfs/dbraw/zinc/76/38/68/396763868.db2.gz CPCJWNWMDLIPPS-UHFFFAOYSA-N -1 3 316.281 0.801 20 5 DCBDHM O=C(Nc1nc(CCO)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590391545 396769895 /nfs/dbraw/zinc/76/98/95/396769895.db2.gz FJXXNNPOCUSKTM-UHFFFAOYSA-N -1 3 310.291 0.939 20 5 DCBDHM CCC(=O)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619496938 397140334 /nfs/dbraw/zinc/14/03/34/397140334.db2.gz HUMLZXVFTWMQOP-UHFFFAOYSA-N -1 3 302.308 0.861 20 5 DCBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000382565582 397275781 /nfs/dbraw/zinc/27/57/81/397275781.db2.gz OBCONIKRJLNCSD-LLVKDONJSA-N -1 3 322.314 0.410 20 5 DCBDHM Cc1c(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cccc1[N+](=O)[O-] ZINC000603499928 397614710 /nfs/dbraw/zinc/61/47/10/397614710.db2.gz LEOKECSXQUGRSD-SECBINFHSA-N -1 3 306.278 0.830 20 5 DCBDHM COCCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000609280446 397768427 /nfs/dbraw/zinc/76/84/27/397768427.db2.gz PNNWVPFTSROPSO-SNVBAGLBSA-N -1 3 324.337 0.536 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000302869365 292286431 /nfs/dbraw/zinc/28/64/31/292286431.db2.gz XKUAVFIPXOFNIB-CYBMUJFWSA-N -1 3 305.294 0.477 20 5 DCBDHM CSCC[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352880789 415353635 /nfs/dbraw/zinc/35/36/35/415353635.db2.gz HYSFOUUQTLJCPB-SECBINFHSA-N -1 3 320.392 0.987 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000342922445 415360352 /nfs/dbraw/zinc/36/03/52/415360352.db2.gz WSNDICKCSPRXHI-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000342922445 415360375 /nfs/dbraw/zinc/36/03/75/415360375.db2.gz WSNDICKCSPRXHI-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000343513432 415622404 /nfs/dbraw/zinc/62/24/04/415622404.db2.gz VPXUFFNKACQRDL-SSDOTTSWSA-N -1 3 319.364 0.474 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cnc(C)[n-]c1=O ZINC000345091190 416042164 /nfs/dbraw/zinc/04/21/64/416042164.db2.gz INGBBQWSTVIXTD-UHFFFAOYSA-N -1 3 306.282 0.220 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000345340817 416081581 /nfs/dbraw/zinc/08/15/81/416081581.db2.gz ALMMRSNYRILLCQ-MRVPVSSYSA-N -1 3 302.308 0.671 20 5 DCBDHM C[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000357639243 416109760 /nfs/dbraw/zinc/10/97/60/416109760.db2.gz UPPCQNGRQQNXJN-ZCFIWIBFSA-N -1 3 321.380 0.948 20 5 DCBDHM O=C(Nc1ccnc2ccnn21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193567015 416317571 /nfs/dbraw/zinc/31/75/71/416317571.db2.gz MDIPSSCAHDMESN-UHFFFAOYSA-N -1 3 300.234 0.990 20 5 DCBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000532773925 416452306 /nfs/dbraw/zinc/45/23/06/416452306.db2.gz OMWZGDZHCMOGDM-GFCCVEGCSA-N -1 3 318.351 0.579 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)n[n-]1 ZINC000540976207 416601744 /nfs/dbraw/zinc/60/17/44/416601744.db2.gz SMOCNJFAPDMOIJ-UHFFFAOYSA-N -1 3 308.254 0.480 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)[n-]n1 ZINC000540976207 416601745 /nfs/dbraw/zinc/60/17/45/416601745.db2.gz SMOCNJFAPDMOIJ-UHFFFAOYSA-N -1 3 308.254 0.480 20 5 DCBDHM CCn1cnnc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358034148 261617302 /nfs/dbraw/zinc/61/73/02/261617302.db2.gz YZGNKSGCZFTDFC-UHFFFAOYSA-N -1 3 311.323 0.685 20 5 DCBDHM CN1CCC(CCO)(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436826109 271609994 /nfs/dbraw/zinc/60/99/94/271609994.db2.gz NXJZOLXCZSFCEO-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000351889163 275021565 /nfs/dbraw/zinc/02/15/65/275021565.db2.gz QWJRTRFUASCAMN-QMMMGPOBSA-N -1 3 311.685 0.384 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCO)c1C ZINC000269687829 526067982 /nfs/dbraw/zinc/06/79/82/526067982.db2.gz HUNVYIIFAUOJBC-UHFFFAOYSA-N -1 3 318.351 0.499 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267810222 527090990 /nfs/dbraw/zinc/09/09/90/527090990.db2.gz DCHIZGULZPYKGW-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM C[C@@H](O)C[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736142626 598973123 /nfs/dbraw/zinc/97/31/23/598973123.db2.gz FZBWRUUPEZIKPM-JGVFFNPUSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](O)C[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736142626 598973127 /nfs/dbraw/zinc/97/31/27/598973127.db2.gz FZBWRUUPEZIKPM-JGVFFNPUSA-N -1 3 307.314 0.989 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000823640079 599038143 /nfs/dbraw/zinc/03/81/43/599038143.db2.gz REBTVWCTLNYIJH-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000823640079 599038146 /nfs/dbraw/zinc/03/81/46/599038146.db2.gz REBTVWCTLNYIJH-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC(CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738367989 598387124 /nfs/dbraw/zinc/38/71/24/598387124.db2.gz ASAPEAOHOHXSHZ-UHFFFAOYSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC(CCO)CC2)c(-c2nn[n-]n2)c1 ZINC000738367989 598387126 /nfs/dbraw/zinc/38/71/26/598387126.db2.gz ASAPEAOHOHXSHZ-UHFFFAOYSA-N -1 3 319.325 0.769 20 5 DCBDHM Cn1nccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737627522 598497921 /nfs/dbraw/zinc/49/79/21/598497921.db2.gz JIUBDEZQASNYNG-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1nccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737627522 598497923 /nfs/dbraw/zinc/49/79/23/598497923.db2.gz JIUBDEZQASNYNG-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCN(C)C1=O ZINC000736853368 599530935 /nfs/dbraw/zinc/53/09/35/599530935.db2.gz XQHCWEYRWSUYFM-NSHDSACASA-N -1 3 317.309 0.442 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCN(C)C1=O ZINC000736853368 599530937 /nfs/dbraw/zinc/53/09/37/599530937.db2.gz XQHCWEYRWSUYFM-NSHDSACASA-N -1 3 317.309 0.442 20 5 DCBDHM COCCOC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821692335 606643523 /nfs/dbraw/zinc/64/35/23/606643523.db2.gz VBQDGMLKJUIRBU-UHFFFAOYSA-N -1 3 320.309 0.627 20 5 DCBDHM COCCOC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821692335 606643524 /nfs/dbraw/zinc/64/35/24/606643524.db2.gz VBQDGMLKJUIRBU-UHFFFAOYSA-N -1 3 320.309 0.627 20 5 DCBDHM O=[N+]([O-])c1ncn(CCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000823650909 606868034 /nfs/dbraw/zinc/86/80/34/606868034.db2.gz DFURSVDDPZWAAX-UHFFFAOYSA-N -1 3 316.281 0.836 20 5 DCBDHM O=[N+]([O-])c1ncn(CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823650909 606868036 /nfs/dbraw/zinc/86/80/36/606868036.db2.gz DFURSVDDPZWAAX-UHFFFAOYSA-N -1 3 316.281 0.836 20 5 DCBDHM COC[C@H](O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826151674 608230222 /nfs/dbraw/zinc/23/02/22/608230222.db2.gz HHVVMSMBCXNPOY-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@H](O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826151674 608230224 /nfs/dbraw/zinc/23/02/24/608230224.db2.gz HHVVMSMBCXNPOY-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC000826149259 609312774 /nfs/dbraw/zinc/31/27/74/609312774.db2.gz DJSPHMNMUZEUJN-SECBINFHSA-N -1 3 308.298 0.848 20 5 DCBDHM COC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC000826149259 609312777 /nfs/dbraw/zinc/31/27/77/609312777.db2.gz DJSPHMNMUZEUJN-SECBINFHSA-N -1 3 308.298 0.848 20 5 DCBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)N1CCCCC1 ZINC000759167555 668209664 /nfs/dbraw/zinc/20/96/64/668209664.db2.gz ASIVXMZPGLKOMW-UHFFFAOYSA-N -1 3 301.328 0.637 20 5 DCBDHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)[N+](=O)[O-])c(C)o1 ZINC000813102635 670610559 /nfs/dbraw/zinc/61/05/59/670610559.db2.gz HUIZMQVFUNMLKZ-LURJTMIESA-N -1 3 306.296 0.318 20 5 DCBDHM C[C@H](Cn1cncn1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903493 1166713270 /nfs/dbraw/zinc/71/32/70/1166713270.db2.gz DHZHTZCHTPOULW-MRVPVSSYSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@H](Cn1cncn1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903493 1166713275 /nfs/dbraw/zinc/71/32/75/1166713275.db2.gz DHZHTZCHTPOULW-MRVPVSSYSA-N -1 3 315.297 0.867 20 5 DCBDHM CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])OCCO1 ZINC001590136584 1166787613 /nfs/dbraw/zinc/78/76/13/1166787613.db2.gz WTHRGYVTRKHXOO-UHFFFAOYSA-N -1 3 307.270 0.345 20 5 DCBDHM CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])OCCO1 ZINC001590136584 1166787619 /nfs/dbraw/zinc/78/76/19/1166787619.db2.gz WTHRGYVTRKHXOO-UHFFFAOYSA-N -1 3 307.270 0.345 20 5 DCBDHM CCOC(=O)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590764591 1167011578 /nfs/dbraw/zinc/01/15/78/1167011578.db2.gz HTYJHXOSXJQNTK-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM COC[C@@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591371498 1167243795 /nfs/dbraw/zinc/24/37/95/1167243795.db2.gz UZQUTMUFPRLPMR-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591371498 1167243803 /nfs/dbraw/zinc/24/38/03/1167243803.db2.gz UZQUTMUFPRLPMR-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001591473133 1167303568 /nfs/dbraw/zinc/30/35/68/1167303568.db2.gz VVUQOFYSHZASNV-TXEJJXNPSA-N -1 3 320.309 0.625 20 5 DCBDHM Cn1nncc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592611502 1167583183 /nfs/dbraw/zinc/58/31/83/1167583183.db2.gz IEFLESHNXPTUPT-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1nncc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592611502 1167583186 /nfs/dbraw/zinc/58/31/86/1167583186.db2.gz IEFLESHNXPTUPT-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001592756167 1167633693 /nfs/dbraw/zinc/63/36/93/1167633693.db2.gz FXHLOGGYRJSEQI-ZETCQYMHSA-N -1 3 305.298 0.176 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592756167 1167633698 /nfs/dbraw/zinc/63/36/98/1167633698.db2.gz FXHLOGGYRJSEQI-ZETCQYMHSA-N -1 3 305.298 0.176 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ncccc1O ZINC001593465166 1167855505 /nfs/dbraw/zinc/85/55/05/1167855505.db2.gz IJTPEJACADAFFS-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593468189 1167857474 /nfs/dbraw/zinc/85/74/74/1167857474.db2.gz KOOMTZPGRLJKMF-GBIKHYSHSA-N -1 3 316.321 0.982 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593468189 1167857479 /nfs/dbraw/zinc/85/74/79/1167857479.db2.gz KOOMTZPGRLJKMF-GBIKHYSHSA-N -1 3 316.321 0.982 20 5 DCBDHM O=[N+]([O-])c1cc(N2CC(O)(C3CC3)C2)ccc1-c1nnn[n-]1 ZINC001593470625 1167861634 /nfs/dbraw/zinc/86/16/34/1167861634.db2.gz GOUBFENXZZMCBQ-UHFFFAOYSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCn1cccn1 ZINC001593471111 1167862204 /nfs/dbraw/zinc/86/22/04/1167862204.db2.gz NSQZEIARJSBDIZ-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCn1cccn1 ZINC001593471111 1167862216 /nfs/dbraw/zinc/86/22/16/1167862216.db2.gz NSQZEIARJSBDIZ-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593485016 1167866081 /nfs/dbraw/zinc/86/60/81/1167866081.db2.gz NEAMFUURNBMXJJ-VXNVDRBHSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CC[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593485016 1167866091 /nfs/dbraw/zinc/86/60/91/1167866091.db2.gz NEAMFUURNBMXJJ-VXNVDRBHSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ncc[nH]2)c(-c2nnn[n-]2)c1 ZINC001593478377 1167866814 /nfs/dbraw/zinc/86/68/14/1167866814.db2.gz GKLXTFICBNMUHL-JTQLQIEISA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ncc[nH]2)c(-c2nn[n-]n2)c1 ZINC001593478377 1167866825 /nfs/dbraw/zinc/86/68/25/1167866825.db2.gz GKLXTFICBNMUHL-JTQLQIEISA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593483507 1167867465 /nfs/dbraw/zinc/86/74/65/1167867465.db2.gz RWKRBVLCUMKWRK-JDBBZGQPSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593483507 1167867472 /nfs/dbraw/zinc/86/74/72/1167867472.db2.gz RWKRBVLCUMKWRK-JDBBZGQPSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCn2cnnc2C1 ZINC001593481586 1167869648 /nfs/dbraw/zinc/86/96/48/1167869648.db2.gz SIYNMMXTAWOJDU-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCn2cnnc2C1 ZINC001593481586 1167869662 /nfs/dbraw/zinc/86/96/62/1167869662.db2.gz SIYNMMXTAWOJDU-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CNC2(CO)CCOCC2)c1 ZINC001602403193 1169072947 /nfs/dbraw/zinc/07/29/47/1169072947.db2.gz AIFKMBNIAVNIGE-UHFFFAOYSA-N -1 3 310.306 0.924 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603695583 1169357890 /nfs/dbraw/zinc/35/78/90/1169357890.db2.gz MGTVSVRACAYNQK-JGVFFNPUSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603695583 1169357900 /nfs/dbraw/zinc/35/79/00/1169357900.db2.gz MGTVSVRACAYNQK-JGVFFNPUSA-N -1 3 319.325 0.564 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1O ZINC001603786801 1169390949 /nfs/dbraw/zinc/39/09/49/1169390949.db2.gz HFFLJLVCYYWOEL-SNVBAGLBSA-N -1 3 319.325 0.767 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@H]1O ZINC001603786801 1169390956 /nfs/dbraw/zinc/39/09/56/1169390956.db2.gz HFFLJLVCYYWOEL-SNVBAGLBSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(=O)N1C ZINC001603937867 1169443855 /nfs/dbraw/zinc/44/38/55/1169443855.db2.gz JDHINNLGDWCMAX-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(=O)N1C ZINC001603937867 1169443859 /nfs/dbraw/zinc/44/38/59/1169443859.db2.gz JDHINNLGDWCMAX-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM CCC[C@@H](O)[C@H](CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604143756 1169504957 /nfs/dbraw/zinc/50/49/57/1169504957.db2.gz BEFLKVVMSQOGPS-CMPLNLGQSA-N -1 3 322.325 0.709 20 5 DCBDHM CCN1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001604345335 1169561669 /nfs/dbraw/zinc/56/16/69/1169561669.db2.gz MCYYPHXLKAHFMN-UHFFFAOYSA-N -1 3 303.326 0.917 20 5 DCBDHM CN1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1=O ZINC001604845140 1169705275 /nfs/dbraw/zinc/70/52/75/1169705275.db2.gz BKSIQNFJEVIUHG-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1=O ZINC001604845140 1169705282 /nfs/dbraw/zinc/70/52/82/1169705282.db2.gz BKSIQNFJEVIUHG-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001606973578 1170343844 /nfs/dbraw/zinc/34/38/44/1170343844.db2.gz KXPCMRGDZMOHTF-QMMMGPOBSA-N -1 3 319.277 0.855 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001606973578 1170343847 /nfs/dbraw/zinc/34/38/47/1170343847.db2.gz KXPCMRGDZMOHTF-QMMMGPOBSA-N -1 3 319.277 0.855 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](O)[C@H](F)C1 ZINC001607083221 1170383360 /nfs/dbraw/zinc/38/33/60/1170383360.db2.gz BJMOOOLGSPFQHC-SCZZXKLOSA-N -1 3 308.273 0.684 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](O)[C@H](F)C1 ZINC001607083221 1170383363 /nfs/dbraw/zinc/38/33/63/1170383363.db2.gz BJMOOOLGSPFQHC-SCZZXKLOSA-N -1 3 308.273 0.684 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@](F)(CO)C1 ZINC001607084291 1170384845 /nfs/dbraw/zinc/38/48/45/1170384845.db2.gz YGNNYZHAPVMMNO-GFCCVEGCSA-N -1 3 308.273 0.686 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@](F)(CO)C1 ZINC001607084291 1170384853 /nfs/dbraw/zinc/38/48/53/1170384853.db2.gz YGNNYZHAPVMMNO-GFCCVEGCSA-N -1 3 308.273 0.686 20 5 DCBDHM CCN1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001609228913 1170884357 /nfs/dbraw/zinc/88/43/57/1170884357.db2.gz SKQRHQSVKAXCSM-UHFFFAOYSA-N -1 3 317.309 0.397 20 5 DCBDHM CCN1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001609228913 1170884367 /nfs/dbraw/zinc/88/43/67/1170884367.db2.gz SKQRHQSVKAXCSM-UHFFFAOYSA-N -1 3 317.309 0.397 20 5 DCBDHM COC[C@](C)(O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609316881 1170931739 /nfs/dbraw/zinc/93/17/39/1170931739.db2.gz RWTBQPKXNCOCGJ-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM C[S@](=O)c1nncn1-c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609368726 1170952903 /nfs/dbraw/zinc/95/29/03/1170952903.db2.gz RTXKSCALGOGJEY-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@](=O)c1nncn1-c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609368726 1170952906 /nfs/dbraw/zinc/95/29/06/1170952906.db2.gz RTXKSCALGOGJEY-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM O=C(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])NCC1CC1 ZINC001609527761 1171008758 /nfs/dbraw/zinc/00/87/58/1171008758.db2.gz ULSKQHIHJQTJMP-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])NCC1CC1 ZINC001609527761 1171008766 /nfs/dbraw/zinc/00/87/66/1171008766.db2.gz ULSKQHIHJQTJMP-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1COC1 ZINC001609575407 1171027399 /nfs/dbraw/zinc/02/73/99/1171027399.db2.gz MAJPXWLVPCPXBL-UHFFFAOYSA-N -1 3 305.250 0.465 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1COC1 ZINC001609575407 1171027403 /nfs/dbraw/zinc/02/74/03/1171027403.db2.gz MAJPXWLVPCPXBL-UHFFFAOYSA-N -1 3 305.250 0.465 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC[C@](F)(CO)C1 ZINC001609600246 1171039056 /nfs/dbraw/zinc/03/90/56/1171039056.db2.gz YZOZITGWWLCJJT-CYBMUJFWSA-N -1 3 322.300 0.681 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC[C@](F)(CO)C1 ZINC001609600246 1171039063 /nfs/dbraw/zinc/03/90/63/1171039063.db2.gz YZOZITGWWLCJJT-CYBMUJFWSA-N -1 3 322.300 0.681 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCOCC2(CC2)C1 ZINC001609600325 1171039220 /nfs/dbraw/zinc/03/92/20/1171039220.db2.gz CXRIKDKBXBJTBC-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCOCC2(CC2)C1 ZINC001609600325 1171039228 /nfs/dbraw/zinc/03/92/28/1171039228.db2.gz CXRIKDKBXBJTBC-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCc1c[n-][nH]c1=O ZINC001630631520 1171577880 /nfs/dbraw/zinc/57/78/80/1171577880.db2.gz KWSKJIXRMBHUFM-SNVBAGLBSA-N -1 3 322.296 0.905 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643899779 1171991097 /nfs/dbraw/zinc/99/10/97/1171991097.db2.gz DGXJPIPYQQLPKO-UHFFFAOYSA-N -1 3 319.325 0.541 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643899779 1171991103 /nfs/dbraw/zinc/99/11/03/1171991103.db2.gz DGXJPIPYQQLPKO-UHFFFAOYSA-N -1 3 319.325 0.541 20 5 DCBDHM CC(=O)c1cn(C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nn1 ZINC001651504103 1173750094 /nfs/dbraw/zinc/75/00/94/1173750094.db2.gz CUEGOEWYMOGCQI-UHFFFAOYSA-N -1 3 304.266 0.551 20 5 DCBDHM O=C(Nc1cn[nH]c1)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001655748651 1173826430 /nfs/dbraw/zinc/82/64/30/1173826430.db2.gz SYRUCWULHKPKIL-MRVPVSSYSA-N -1 3 318.293 0.884 20 5 DCBDHM O=C(NCC=CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnon1 ZINC001107305711 751996917 /nfs/dbraw/zinc/99/69/17/751996917.db2.gz FVTCSLKZIVHZDB-OWOJBTEDSA-N -1 3 320.265 0.477 20 5 DCBDHM Cc1cc([N+](=O)[O-])cnc1NCC=CCNC(=O)c1cn[n-]n1 ZINC001107587730 752136650 /nfs/dbraw/zinc/13/66/50/752136650.db2.gz ZHXNEWVLBUKXIF-NSCUHMNNSA-N -1 3 317.309 0.814 20 5 DCBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccon1 ZINC001105354955 748412140 /nfs/dbraw/zinc/41/21/40/748412140.db2.gz AMHIHAWICPTTFW-UHFFFAOYSA-N -1 3 321.293 0.892 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnco1 ZINC001101879341 764394380 /nfs/dbraw/zinc/39/43/80/764394380.db2.gz VFCBCKWJHGNLQU-UHFFFAOYSA-N -1 3 307.266 0.868 20 5 DCBDHM CN(CCNC(=O)c1cnc[n-]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001100209228 765845481 /nfs/dbraw/zinc/84/54/81/765845481.db2.gz AFKOGVNRMZSYFM-UHFFFAOYSA-N -1 3 317.305 0.957 20 5 DCBDHM O=C(NCCCO)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001118528954 766349152 /nfs/dbraw/zinc/34/91/52/766349152.db2.gz HCAQQWXNXDHIDF-UHFFFAOYSA-N -1 3 324.337 0.410 20 5 DCBDHM Cn1cncc1CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093750789 768712151 /nfs/dbraw/zinc/71/21/51/768712151.db2.gz NMRZWJGAZHGVDF-UHFFFAOYSA-N -1 3 320.309 0.200 20 5 DCBDHM O=C(Cc1ncc[nH]1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093829772 768740377 /nfs/dbraw/zinc/74/03/77/768740377.db2.gz ZKMBUVFCDVGSKO-UHFFFAOYSA-N -1 3 306.282 0.189 20 5 DCBDHM Cc1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]n1 ZINC001094319710 768970998 /nfs/dbraw/zinc/97/09/98/768970998.db2.gz UJOWSZBAHCTWCR-UHFFFAOYSA-N -1 3 320.309 0.959 20 5 DCBDHM COC(=O)c1ccnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001156278371 770770141 /nfs/dbraw/zinc/77/01/41/770770141.db2.gz IGQCYKWLTAAVDD-QMMMGPOBSA-N -1 3 321.293 0.700 20 5 DCBDHM CSc1nc(Cl)nc(-n2[n-]c(=O)nc2CN)c1[N+](=O)[O-] ZINC001157933658 771696722 /nfs/dbraw/zinc/69/67/22/771696722.db2.gz GZXCFOOPJMXMCH-UHFFFAOYSA-N -1 3 317.718 0.505 20 5 DCBDHM COc1nc([N-]c2ccc(CN)nc2)nc(OC)c1[N+](=O)[O-] ZINC001160402018 772032684 /nfs/dbraw/zinc/03/26/84/772032684.db2.gz IWDUVNPISKUWJD-UHFFFAOYSA-N -1 3 306.282 0.999 20 5 DCBDHM COC(=O)C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(=O)OC ZINC001227744963 776003654 /nfs/dbraw/zinc/00/36/54/776003654.db2.gz KKBZYKZXHQIOFN-JTQLQIEISA-N -1 3 323.261 0.955 20 5 DCBDHM COC(=O)C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(=O)OC ZINC001227744963 776003661 /nfs/dbraw/zinc/00/36/61/776003661.db2.gz KKBZYKZXHQIOFN-JTQLQIEISA-N -1 3 323.261 0.955 20 5 DCBDHM CS(=O)(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001261647705 947384956 /nfs/dbraw/zinc/38/49/56/947384956.db2.gz FACHSGPOXRTZHA-UHFFFAOYSA-N -1 3 316.339 0.213 20 5 DCBDHM CN1C(=O)NC2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1=O ZINC001327663410 948588946 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O=[N+]([O-])c1cnc(NCCn2cccn2)c(-c2nn[n-]n2)c1 ZINC000738374958 598499813 /nfs/dbraw/zinc/49/98/13/598499813.db2.gz VBWHTLKMMLGLPD-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM CC(C)NC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820132485 599311126 /nfs/dbraw/zinc/31/11/26/599311126.db2.gz LJALONYRDCPXPB-UHFFFAOYSA-N -1 3 320.313 0.131 20 5 DCBDHM CC(C)NC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820132485 599311123 /nfs/dbraw/zinc/31/11/23/599311123.db2.gz LJALONYRDCPXPB-UHFFFAOYSA-N -1 3 320.313 0.131 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@]2(O)CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498729 607851323 /nfs/dbraw/zinc/85/13/23/607851323.db2.gz HJIMVFHMCZITPF-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@]2(O)CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498729 607851324 /nfs/dbraw/zinc/85/13/24/607851324.db2.gz HJIMVFHMCZITPF-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM Cc1nn(Cc2ccccc2[N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC000822501123 606655084 /nfs/dbraw/zinc/65/50/84/606655084.db2.gz XATDSHJXILCYSY-UHFFFAOYSA-N -1 3 300.282 0.910 20 5 DCBDHM Cc1nn(Cc2ccccc2[N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC000822501123 606655085 /nfs/dbraw/zinc/65/50/85/606655085.db2.gz XATDSHJXILCYSY-UHFFFAOYSA-N -1 3 300.282 0.910 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(C2CC2)CC1 ZINC000823620198 606704296 /nfs/dbraw/zinc/70/42/96/606704296.db2.gz IDAKHMORJWVQIX-UHFFFAOYSA-N -1 3 316.325 0.454 20 5 DCBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(C2CC2)CC1 ZINC000823620198 606704297 /nfs/dbraw/zinc/70/42/97/606704297.db2.gz IDAKHMORJWVQIX-UHFFFAOYSA-N -1 3 316.325 0.454 20 5 DCBDHM CC(C)OC[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000824309695 607876180 /nfs/dbraw/zinc/87/61/80/607876180.db2.gz VSEKURPKANKTKD-VIFPVBQESA-N -1 3 323.309 0.940 20 5 DCBDHM CC(C)OC[C@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000824309695 607876181 /nfs/dbraw/zinc/87/61/81/607876181.db2.gz VSEKURPKANKTKD-VIFPVBQESA-N -1 3 323.309 0.940 20 5 DCBDHM O=C(NC1CN(Cc2csc([N+](=O)[O-])c2)C1)c1cn[n-]n1 ZINC001030597162 664597647 /nfs/dbraw/zinc/59/76/47/664597647.db2.gz AGPUFLOXNAPVEF-UHFFFAOYSA-N -1 3 308.323 0.389 20 5 DCBDHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000866462070 667376711 /nfs/dbraw/zinc/37/67/11/667376711.db2.gz ZGNQTARQBSXKAL-UHFFFAOYSA-N -1 3 306.234 0.735 20 5 DCBDHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-] ZINC000737594330 667626131 /nfs/dbraw/zinc/62/61/31/667626131.db2.gz UOANGXQNAFWEOD-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-] ZINC000737594330 667626134 /nfs/dbraw/zinc/62/61/34/667626134.db2.gz UOANGXQNAFWEOD-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OCCO ZINC000776583736 668878356 /nfs/dbraw/zinc/87/83/56/668878356.db2.gz DHUUTUHIJWTNDD-UHFFFAOYSA-N -1 3 319.111 0.940 20 5 DCBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cnn[n-]1 ZINC000805607260 668899356 /nfs/dbraw/zinc/89/93/56/668899356.db2.gz ILJYRGJHEAEROV-LLVKDONJSA-N -1 3 317.261 0.675 20 5 DCBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c[n-]nn1 ZINC000805607260 668899357 /nfs/dbraw/zinc/89/93/57/668899357.db2.gz ILJYRGJHEAEROV-LLVKDONJSA-N -1 3 317.261 0.675 20 5 DCBDHM O=C([N-]C[C@@H](O)CO)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584976 670698523 /nfs/dbraw/zinc/69/85/23/670698523.db2.gz KEPOZHFJKRCUPV-MRVPVSSYSA-N -1 3 306.221 0.036 20 5 DCBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(OC)OC ZINC000849405458 670791326 /nfs/dbraw/zinc/79/13/26/670791326.db2.gz IXDFMMXHHGANPO-VIFPVBQESA-N -1 3 319.339 0.666 20 5 DCBDHM CCN(CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000859120863 671074732 /nfs/dbraw/zinc/07/47/32/671074732.db2.gz KRVRTEANOXIULY-UHFFFAOYSA-N -1 3 319.387 0.337 20 5 DCBDHM CC1(C)OCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CO1 ZINC000845912516 672282184 /nfs/dbraw/zinc/28/21/84/672282184.db2.gz ZTNBVNDQKGUVGV-UHFFFAOYSA-N -1 3 317.323 0.420 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCn2cncc2C1 ZINC001582803844 1166086351 /nfs/dbraw/zinc/08/63/51/1166086351.db2.gz XABQGNZEXAJENX-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCn2cncc2C1 ZINC001582803844 1166086355 /nfs/dbraw/zinc/08/63/55/1166086355.db2.gz XABQGNZEXAJENX-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM CC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001588840889 1166605512 /nfs/dbraw/zinc/60/55/12/1166605512.db2.gz CKJDONIZAFEIIL-SECBINFHSA-N -1 3 317.309 0.490 20 5 DCBDHM CC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001588840889 1166605518 /nfs/dbraw/zinc/60/55/18/1166605518.db2.gz CKJDONIZAFEIIL-SECBINFHSA-N -1 3 317.309 0.490 20 5 DCBDHM CC(C)N(CC(N)=O)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589679169 1166672551 /nfs/dbraw/zinc/67/25/51/1166672551.db2.gz FQDGYYXYAYIUED-UHFFFAOYSA-N -1 3 319.325 0.471 20 5 DCBDHM CC(C)N(CC(N)=O)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589679169 1166672558 /nfs/dbraw/zinc/67/25/58/1166672558.db2.gz FQDGYYXYAYIUED-UHFFFAOYSA-N -1 3 319.325 0.471 20 5 DCBDHM C[C@@H]1C[C@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590193662 1166805846 /nfs/dbraw/zinc/80/58/46/1166805846.db2.gz QUHHTPCBFRTHDE-BDAKNGLRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1C[C@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590193662 1166805852 /nfs/dbraw/zinc/80/58/52/1166805852.db2.gz QUHHTPCBFRTHDE-BDAKNGLRSA-N -1 3 319.325 0.625 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C1CC(O)C1 ZINC001591156673 1167119153 /nfs/dbraw/zinc/11/91/53/1167119153.db2.gz LQHCYVBMBLSLQI-UHFFFAOYSA-N -1 3 305.298 0.317 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C1CC(O)C1 ZINC001591156673 1167119155 /nfs/dbraw/zinc/11/91/55/1167119155.db2.gz LQHCYVBMBLSLQI-UHFFFAOYSA-N -1 3 305.298 0.317 20 5 DCBDHM CN1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591194947 1167146562 /nfs/dbraw/zinc/14/65/62/1167146562.db2.gz NLCVVKQNJXJOHE-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM COC(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591273229 1167194406 /nfs/dbraw/zinc/19/44/06/1167194406.db2.gz WWJYSGSMBPGSCY-UHFFFAOYSA-N -1 3 322.285 0.280 20 5 DCBDHM COC(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591273229 1167194409 /nfs/dbraw/zinc/19/44/09/1167194409.db2.gz WWJYSGSMBPGSCY-UHFFFAOYSA-N -1 3 322.285 0.280 20 5 DCBDHM CO[C@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591320191 1167211436 /nfs/dbraw/zinc/21/14/36/1167211436.db2.gz WKVXOGAYVAQAFM-SSDOTTSWSA-N -1 3 307.266 0.853 20 5 DCBDHM CO[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591320191 1167211441 /nfs/dbraw/zinc/21/14/41/1167211441.db2.gz WKVXOGAYVAQAFM-SSDOTTSWSA-N -1 3 307.266 0.853 20 5 DCBDHM COC[C@@H]1COCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591395487 1167263004 /nfs/dbraw/zinc/26/30/04/1167263004.db2.gz YSCXEHWDLXXOAO-SNVBAGLBSA-N -1 3 320.309 0.627 20 5 DCBDHM COC[C@@H]1COCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591395487 1167263015 /nfs/dbraw/zinc/26/30/15/1167263015.db2.gz YSCXEHWDLXXOAO-SNVBAGLBSA-N -1 3 320.309 0.627 20 5 DCBDHM COCCC1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591404248 1167270939 /nfs/dbraw/zinc/27/09/39/1167270939.db2.gz YSDXVACGYNRNQZ-UHFFFAOYSA-N -1 3 305.298 0.643 20 5 DCBDHM COCCC1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591404248 1167270947 /nfs/dbraw/zinc/27/09/47/1167270947.db2.gz YSDXVACGYNRNQZ-UHFFFAOYSA-N -1 3 305.298 0.643 20 5 DCBDHM Cc1cc(NCCn2cnnc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592051079 1167445849 /nfs/dbraw/zinc/44/58/49/1167445849.db2.gz HTBWUKBPQRXVED-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1cc(NCCn2cnnc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592051079 1167445852 /nfs/dbraw/zinc/44/58/52/1167445852.db2.gz HTBWUKBPQRXVED-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cn1cc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001592573856 1167566666 /nfs/dbraw/zinc/56/66/66/1167566666.db2.gz WSVRFYXTHXDCNV-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Cn1cc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001592573856 1167566672 /nfs/dbraw/zinc/56/66/72/1167566672.db2.gz WSVRFYXTHXDCNV-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC2OCCCO2)c1-c1nnn[n-]1 ZINC001592758084 1167636337 /nfs/dbraw/zinc/63/63/37/1167636337.db2.gz SDRXWLYXZPJXHG-UHFFFAOYSA-N -1 3 321.297 0.532 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC2OCCCO2)c1-c1nn[n-]n1 ZINC001592758084 1167636343 /nfs/dbraw/zinc/63/63/43/1167636343.db2.gz SDRXWLYXZPJXHG-UHFFFAOYSA-N -1 3 321.297 0.532 20 5 DCBDHM O=CN1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001593414489 1167826685 /nfs/dbraw/zinc/82/66/85/1167826685.db2.gz PWRMQEJDZIZTPP-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM O=CN1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001593414489 1167826704 /nfs/dbraw/zinc/82/67/04/1167826704.db2.gz PWRMQEJDZIZTPP-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCN1CC=CC1 ZINC001593465382 1167854755 /nfs/dbraw/zinc/85/47/55/1167854755.db2.gz NLGIFKKSDZYUFJ-UHFFFAOYSA-N -1 3 302.298 0.454 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H]2C[C@@]2(O)C1 ZINC001593469623 1167857609 /nfs/dbraw/zinc/85/76/09/1167857609.db2.gz YTJVIWDSGIPWIT-SREIQFSDSA-N -1 3 306.257 0.485 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H]2C[C@@]2(O)C1 ZINC001593469623 1167857619 /nfs/dbraw/zinc/85/76/19/1167857619.db2.gz YTJVIWDSGIPWIT-SREIQFSDSA-N -1 3 306.257 0.485 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CC[S@](=O)C1 ZINC001593474130 1167860620 /nfs/dbraw/zinc/86/06/20/1167860620.db2.gz FUZZPVBMCSVOEI-PPRQPISWSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CC[S@](=O)C1 ZINC001593474130 1167860628 /nfs/dbraw/zinc/86/06/28/1167860628.db2.gz FUZZPVBMCSVOEI-PPRQPISWSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1cc(NCCOCCCO)ccc1-c1nnn[n-]1 ZINC001593473662 1167863228 /nfs/dbraw/zinc/86/32/28/1167863228.db2.gz JEFZRWIEHDVAKB-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCO[C@@H]1CCOC1 ZINC001593483588 1167868602 /nfs/dbraw/zinc/86/86/02/1167868602.db2.gz WWSPHHVHORBDCF-SECBINFHSA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCO[C@@H]1CCOC1 ZINC001593483588 1167868611 /nfs/dbraw/zinc/86/86/11/1167868611.db2.gz WWSPHHVHORBDCF-SECBINFHSA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](O)[C@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001593486405 1167869366 /nfs/dbraw/zinc/86/93/66/1167869366.db2.gz RKBPCRVSJLYNKM-RKDXNWHRSA-N -1 3 309.261 0.079 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](O)[C@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001593486405 1167869375 /nfs/dbraw/zinc/86/93/75/1167869375.db2.gz RKBPCRVSJLYNKM-RKDXNWHRSA-N -1 3 309.261 0.079 20 5 DCBDHM O=C([O-])[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC001601674994 1168812713 /nfs/dbraw/zinc/81/27/13/1168812713.db2.gz KHBPJDWSTVZHTA-GFCCVEGCSA-N -1 3 306.278 0.912 20 5 DCBDHM CC[C@@H](O)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604066726 1169484230 /nfs/dbraw/zinc/48/42/30/1169484230.db2.gz IGIOZUNXXAUQLG-SNVBAGLBSA-N -1 3 321.293 0.979 20 5 DCBDHM CC[C@@H](O)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604066726 1169484233 /nfs/dbraw/zinc/48/42/33/1169484233.db2.gz IGIOZUNXXAUQLG-SNVBAGLBSA-N -1 3 321.293 0.979 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)C1=O ZINC001605422469 1169917628 /nfs/dbraw/zinc/91/76/28/1169917628.db2.gz ALYDBJLXDKETJC-HTQZYQBOSA-N -1 3 317.309 0.831 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)C1=O ZINC001605422469 1169917630 /nfs/dbraw/zinc/91/76/30/1169917630.db2.gz ALYDBJLXDKETJC-HTQZYQBOSA-N -1 3 317.309 0.831 20 5 DCBDHM Cc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[nH]1 ZINC001606010487 1170046994 /nfs/dbraw/zinc/04/69/94/1170046994.db2.gz DDUNYOKWDPSZBK-UHFFFAOYSA-N -1 3 302.258 0.209 20 5 DCBDHM Cc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[nH]1 ZINC001606010487 1170047000 /nfs/dbraw/zinc/04/70/00/1170047000.db2.gz DDUNYOKWDPSZBK-UHFFFAOYSA-N -1 3 302.258 0.209 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606421650 1170193721 /nfs/dbraw/zinc/19/37/21/1170193721.db2.gz SDKFCZWWMWSOTP-QMMMGPOBSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606421650 1170193724 /nfs/dbraw/zinc/19/37/24/1170193724.db2.gz SDKFCZWWMWSOTP-QMMMGPOBSA-N -1 3 318.297 0.022 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](CCO)C1 ZINC001607079688 1170382197 /nfs/dbraw/zinc/38/21/97/1170382197.db2.gz CPPUWNAFJGORLC-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](CCO)C1 ZINC001607079688 1170382202 /nfs/dbraw/zinc/38/22/02/1170382202.db2.gz CPPUWNAFJGORLC-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)[C@H]1CCCO1 ZINC001607080635 1170385253 /nfs/dbraw/zinc/38/52/53/1170385253.db2.gz VUNKIDDMNFEQRF-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)[C@H]1CCCO1 ZINC001607080635 1170385259 /nfs/dbraw/zinc/38/52/59/1170385259.db2.gz VUNKIDDMNFEQRF-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1C(=O)N(C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609152431 1170830037 /nfs/dbraw/zinc/83/00/37/1170830037.db2.gz DEURFOUABTYOSP-ZETCQYMHSA-N -1 3 303.282 0.399 20 5 DCBDHM C[C@H]1C(=O)N(C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609152431 1170830046 /nfs/dbraw/zinc/83/00/46/1170830046.db2.gz DEURFOUABTYOSP-ZETCQYMHSA-N -1 3 303.282 0.399 20 5 DCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC001609278601 1170908645 /nfs/dbraw/zinc/90/86/45/1170908645.db2.gz QAKWFYDPTCOGMI-JTQLQIEISA-N -1 3 317.309 0.095 20 5 DCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC001609278601 1170908647 /nfs/dbraw/zinc/90/86/47/1170908647.db2.gz QAKWFYDPTCOGMI-JTQLQIEISA-N -1 3 317.309 0.095 20 5 DCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001609510432 1171003922 /nfs/dbraw/zinc/00/39/22/1171003922.db2.gz JUSLYBBAVMZPPP-UHFFFAOYSA-N -1 3 300.238 0.242 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H](O)C1CC1 ZINC001609575486 1171028046 /nfs/dbraw/zinc/02/80/46/1171028046.db2.gz RACDXHWPPZTOGI-LLVKDONJSA-N -1 3 319.277 0.589 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H](O)C1CC1 ZINC001609575486 1171028053 /nfs/dbraw/zinc/02/80/53/1171028053.db2.gz RACDXHWPPZTOGI-LLVKDONJSA-N -1 3 319.277 0.589 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@](F)(CO)C1 ZINC001609601450 1171039629 /nfs/dbraw/zinc/03/96/29/1171039629.db2.gz XTEBBFOUBBNNFM-GFCCVEGCSA-N -1 3 308.273 0.686 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@](F)(CO)C1 ZINC001609601450 1171039637 /nfs/dbraw/zinc/03/96/37/1171039637.db2.gz XTEBBFOUBBNNFM-GFCCVEGCSA-N -1 3 308.273 0.686 20 5 DCBDHM O=c1[n-]ccc(NCCS(=O)(=O)N2CCCC2)c1[N+](=O)[O-] ZINC001612983681 1171366133 /nfs/dbraw/zinc/36/61/33/1171366133.db2.gz DIAKTNHRPUQBCR-UHFFFAOYSA-N -1 3 316.339 0.533 20 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/nfs/dbraw/zinc/99/70/84/751997084.db2.gz FVTCSLKZIVHZDB-UPHRSURJSA-N -1 3 320.265 0.477 20 5 DCBDHM O=C(NCC=CCNc1ncccc1[N+](=O)[O-])c1cn[n-]n1 ZINC001107585450 752134825 /nfs/dbraw/zinc/13/48/25/752134825.db2.gz WILGVTHSDVLOSZ-OWOJBTEDSA-N -1 3 303.282 0.506 20 5 DCBDHM C[C@@H]1C(=O)N([N-]C(=O)c2cc([N+](=O)[O-])ccc2N)C(=O)N1C ZINC001167405534 747162905 /nfs/dbraw/zinc/16/29/05/747162905.db2.gz ULUVSOYDLPYHDK-ZCFIWIBFSA-N -1 3 307.266 0.104 20 5 DCBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001059159818 748782731 /nfs/dbraw/zinc/78/27/31/748782731.db2.gz PHVIXSCDAATGOT-KYZUINATSA-N -1 3 318.293 0.791 20 5 DCBDHM COCCCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101525854 749549258 /nfs/dbraw/zinc/54/92/58/749549258.db2.gz SFAVOMUJOYXKNP-UHFFFAOYSA-N -1 3 312.326 0.992 20 5 DCBDHM CCNC(=O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001212420394 752767026 /nfs/dbraw/zinc/76/70/26/752767026.db2.gz DLKNWGWJKNAJHN-UHFFFAOYSA-N -1 3 319.314 0.457 20 5 DCBDHM 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WLZHANVHDCGQGM-UHFFFAOYSA-N -1 3 320.309 0.510 20 5 DCBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001155438598 770501871 /nfs/dbraw/zinc/50/18/71/770501871.db2.gz DAIUQSLZXYIOHD-UHFFFAOYSA-N -1 3 324.253 0.815 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156279356 770771833 /nfs/dbraw/zinc/77/18/33/770771833.db2.gz QWXIZYRSPGVGAT-SSDOTTSWSA-N -1 3 313.701 0.806 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156285704 770774916 /nfs/dbraw/zinc/77/49/16/770774916.db2.gz QLUAQGBKWOGZHX-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM NCc1nc(=O)[n-]n1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001157933181 771696457 /nfs/dbraw/zinc/69/64/57/771696457.db2.gz MKXLVCYKTGZWJV-UHFFFAOYSA-N -1 3 306.069 0.437 20 5 DCBDHM O=C(Cc1c[nH]cn1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094150581 947791334 /nfs/dbraw/zinc/79/13/34/947791334.db2.gz QCQQGAXGGSICOR-UHFFFAOYSA-N -1 3 306.282 0.189 20 5 DCBDHM COc1cc(CNC[C@](C)(O)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001594058253 958057529 /nfs/dbraw/zinc/05/75/29/958057529.db2.gz IDJWUUQNVJWUCM-ZDUSSCGKSA-N -1 3 314.294 0.537 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(CO)cc2)nc1 ZINC001309619172 960205021 /nfs/dbraw/zinc/20/50/21/960205021.db2.gz RWWJPWWTBLNUTK-UHFFFAOYSA-N -1 3 323.330 0.961 20 5 DCBDHM CNC(=O)CCNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598643848 994354693 /nfs/dbraw/zinc/35/46/93/994354693.db2.gz XVHKTEPOKVPKKT-UHFFFAOYSA-N -1 3 311.294 0.284 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001464882321 1015962553 /nfs/dbraw/zinc/96/25/53/1015962553.db2.gz ILIKXTYETADFLX-ZETCQYMHSA-N -1 3 323.284 0.558 20 5 DCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001475239376 1017078759 /nfs/dbraw/zinc/07/87/59/1017078759.db2.gz OWHIKUCKGDGCSJ-MRVPVSSYSA-N -1 3 322.314 0.328 20 5 DCBDHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001456849497 1011489490 /nfs/dbraw/zinc/48/94/90/1011489490.db2.gz QLCIJGOHHFXORP-MRVPVSSYSA-N -1 3 318.293 0.427 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332661749 235254923 /nfs/dbraw/zinc/25/49/23/235254923.db2.gz XFWLOWTXHFNALA-JTQLQIEISA-N -1 3 322.252 0.110 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)n1 ZINC000567616825 291364898 /nfs/dbraw/zinc/36/48/98/291364898.db2.gz PTPJGVSMOHQBMG-SNVBAGLBSA-N -1 3 324.337 0.947 20 5 DCBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275120132 212132537 /nfs/dbraw/zinc/13/25/37/212132537.db2.gz YJEKTVLTLSIICA-ZETCQYMHSA-N -1 3 322.314 0.792 20 5 DCBDHM COCCN(CCN(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275042654 212090058 /nfs/dbraw/zinc/09/00/58/212090058.db2.gz VSLPPLKRKJVNGF-UHFFFAOYSA-N -1 3 312.326 0.346 20 5 DCBDHM COCCN1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274969033 212049937 /nfs/dbraw/zinc/04/99/37/212049937.db2.gz NCVPEQSOVDHVQY-UHFFFAOYSA-N -1 3 324.337 0.536 20 5 DCBDHM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000289535093 221046865 /nfs/dbraw/zinc/04/68/65/221046865.db2.gz MCILZDDWPVOGBM-RYUDHWBXSA-N -1 3 316.335 0.428 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048665101 395821107 /nfs/dbraw/zinc/82/11/07/395821107.db2.gz SMMFLODJDGNLMD-UHFFFAOYSA-N -1 3 305.287 0.148 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCNC1=O ZINC000051156511 395846895 /nfs/dbraw/zinc/84/68/95/395846895.db2.gz MVBSBLJNONHSCT-VIFPVBQESA-N -1 3 313.335 0.460 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119832625 395876612 /nfs/dbraw/zinc/87/66/12/395876612.db2.gz HTKJARUCFXNAKC-VIFPVBQESA-N -1 3 315.351 0.624 20 5 DCBDHM COc1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)cc([N+](=O)[O-])c1C ZINC000276782774 396027347 /nfs/dbraw/zinc/02/73/47/396027347.db2.gz IIOOBUNTCYCHDJ-UHFFFAOYSA-N -1 3 322.277 0.451 20 5 DCBDHM Cc1cc(N2CCO[C@H](CN(C)CC(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000262120575 396100967 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DCBDHM CCNS(=O)(=O)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596182916 396727824 /nfs/dbraw/zinc/72/78/24/396727824.db2.gz UIPDPVGZGKNWJQ-MRVPVSSYSA-N -1 3 316.339 0.213 20 5 DCBDHM CC(C)(C)NS(=O)(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596073883 396714828 /nfs/dbraw/zinc/71/48/28/396714828.db2.gz DOWYQXGOGJZUQU-UHFFFAOYSA-N -1 3 318.355 0.825 20 5 DCBDHM O=C(N[C@H](CO)CN1CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590360131 396762134 /nfs/dbraw/zinc/76/21/34/396762134.db2.gz ZEMSOIYBMSOTOS-JTQLQIEISA-N -1 3 324.337 0.272 20 5 DCBDHM O=C(Nc1ncc(CCO)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590371180 396764076 /nfs/dbraw/zinc/76/40/76/396764076.db2.gz GXNKESSPQTZGII-UHFFFAOYSA-N -1 3 310.291 0.939 20 5 DCBDHM CCOC(=O)c1ncc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)[n-]1 ZINC000617876060 396851825 /nfs/dbraw/zinc/85/18/25/396851825.db2.gz DJEDLBZXCDTURR-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM CCOC(=O)c1nc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c[n-]1 ZINC000617876060 396851829 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322.310 0.430 20 5 DCBDHM CC(C)[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(N)=O ZINC000302072589 529127222 /nfs/dbraw/zinc/12/72/22/529127222.db2.gz HGZVAYKQWPMNOF-QMMMGPOBSA-N -1 3 321.380 0.982 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(=O)NC ZINC001669769145 1174948754 /nfs/dbraw/zinc/94/87/54/1174948754.db2.gz GEMZNJLKXVGXAU-SSDOTTSWSA-N -1 3 321.380 0.768 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCO1 ZINC000736291566 598457441 /nfs/dbraw/zinc/45/74/41/598457441.db2.gz FVKVIBWLDACMDE-QMMMGPOBSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCO1 ZINC000736291566 598457442 /nfs/dbraw/zinc/45/74/42/598457442.db2.gz FVKVIBWLDACMDE-QMMMGPOBSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@@H](O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824699962 607738213 /nfs/dbraw/zinc/73/82/13/607738213.db2.gz WFFICCPKMJKGOX-RKDXNWHRSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@@H](O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824699962 607738214 /nfs/dbraw/zinc/73/82/14/607738214.db2.gz WFFICCPKMJKGOX-RKDXNWHRSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H]1CN(CCC(=O)[O-])CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000833628847 605189095 /nfs/dbraw/zinc/18/90/95/605189095.db2.gz OXTIGLJUCPCVQQ-NSHDSACASA-N -1 3 311.342 0.272 20 5 DCBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1=O ZINC000821622306 606645501 /nfs/dbraw/zinc/64/55/01/606645501.db2.gz YROWHWUDGAAGMH-SNVBAGLBSA-N -1 3 317.309 0.442 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC(n3ccnc3)C2)c(-c2nnn[n-]2)c1 ZINC000823646915 607022380 /nfs/dbraw/zinc/02/23/80/607022380.db2.gz CTRGOCVJAGUHOS-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC(n3ccnc3)C2)c(-c2nn[n-]n2)c1 ZINC000823646915 607022382 /nfs/dbraw/zinc/02/23/82/607022382.db2.gz CTRGOCVJAGUHOS-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(N)=O ZINC000820025873 607225571 /nfs/dbraw/zinc/22/55/71/607225571.db2.gz DXLQCJBUAVKZQT-JTQLQIEISA-N 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ZINC000824450459 609598309 /nfs/dbraw/zinc/59/83/09/609598309.db2.gz WEYMEOZGQPQALT-GOWBUHPOSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@H](C[S@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824450459 609598312 /nfs/dbraw/zinc/59/83/12/609598312.db2.gz WEYMEOZGQPQALT-GOWBUHPOSA-N -1 3 311.327 0.349 20 5 DCBDHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000050102295 658452102 /nfs/dbraw/zinc/45/21/02/658452102.db2.gz PZQVCGGAXZYGGC-SECBINFHSA-N -1 3 316.335 0.966 20 5 DCBDHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766754955 668544809 /nfs/dbraw/zinc/54/48/09/668544809.db2.gz UGBALWOSRPKMTH-JTQLQIEISA-N -1 3 314.319 0.372 20 5 DCBDHM COC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000778056793 668893900 /nfs/dbraw/zinc/89/39/00/668893900.db2.gz MSXANSGHIACXIN-VIFPVBQESA-N -1 3 317.248 0.303 20 5 DCBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000778963925 668906717 /nfs/dbraw/zinc/90/67/17/668906717.db2.gz KIEGRYVGPPTHSO-UHFFFAOYSA-N -1 3 305.250 0.939 20 5 DCBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787118097 669352442 /nfs/dbraw/zinc/35/24/42/669352442.db2.gz SMMQJRLUOQELMI-UHFFFAOYSA-N -1 3 305.250 0.939 20 5 DCBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859120996 671074941 /nfs/dbraw/zinc/07/49/41/671074941.db2.gz OYLOMQXBOIKXRC-SECBINFHSA-N -1 3 317.371 0.091 20 5 DCBDHM COC(=O)[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1COCC2 ZINC000853564966 671246619 /nfs/dbraw/zinc/24/66/19/671246619.db2.gz ZVBOVDVKZGJBMU-LKFCYVNXSA-N -1 3 323.305 0.711 20 5 DCBDHM CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C(=O)O1 ZINC000824796178 671440299 /nfs/dbraw/zinc/44/02/99/671440299.db2.gz MSSJLPNIHOPRIS-MRVPVSSYSA-N -1 3 319.281 0.676 20 5 DCBDHM CC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)OCCO1 ZINC000845912399 672282201 /nfs/dbraw/zinc/28/22/01/672282201.db2.gz YELOVPLMQLMSSV-UHFFFAOYSA-N -1 3 317.323 0.421 20 5 DCBDHM NC(=O)[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001581900685 1165905616 /nfs/dbraw/zinc/90/56/16/1165905616.db2.gz RHJKYUQANUFMGM-JGVFFNPUSA-N -1 3 317.309 0.841 20 5 DCBDHM NC(=O)[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001581900685 1165905624 /nfs/dbraw/zinc/90/56/24/1165905624.db2.gz RHJKYUQANUFMGM-JGVFFNPUSA-N -1 3 317.309 0.841 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCn3nccc3C2)c(-c2nnn[n-]2)c1 ZINC001582804794 1166086437 /nfs/dbraw/zinc/08/64/37/1166086437.db2.gz MHZNKYZUHHDMGN-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCn3nccc3C2)c(-c2nn[n-]n2)c1 ZINC001582804794 1166086441 /nfs/dbraw/zinc/08/64/41/1166086441.db2.gz MHZNKYZUHHDMGN-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM CC(=O)NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588861600 1166611337 /nfs/dbraw/zinc/61/13/37/1166611337.db2.gz KJVLHHVOARESPQ-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CC(=O)NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588861600 1166611341 /nfs/dbraw/zinc/61/13/41/1166611341.db2.gz KJVLHHVOARESPQ-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM C[C@H](Cn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589903374 1166713744 /nfs/dbraw/zinc/71/37/44/1166713744.db2.gz ANHSHCCCJXGXMQ-SSDOTTSWSA-N -1 3 316.285 0.262 20 5 DCBDHM C[C@H](Cn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589903374 1166713752 /nfs/dbraw/zinc/71/37/52/1166713752.db2.gz ANHSHCCCJXGXMQ-SSDOTTSWSA-N -1 3 316.285 0.262 20 5 DCBDHM CC1(C)OCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CO1 ZINC001590118526 1166782542 /nfs/dbraw/zinc/78/25/42/1166782542.db2.gz NARSKVRSQPJQBV-UHFFFAOYSA-N -1 3 321.297 0.733 20 5 DCBDHM CC1(C)OCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CO1 ZINC001590118526 1166782551 /nfs/dbraw/zinc/78/25/51/1166782551.db2.gz NARSKVRSQPJQBV-UHFFFAOYSA-N -1 3 321.297 0.733 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590163678 1166793236 /nfs/dbraw/zinc/79/32/36/1166793236.db2.gz KZRNQBVSEZKWIM-MRVPVSSYSA-N -1 3 317.309 0.395 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590163678 1166793244 /nfs/dbraw/zinc/79/32/44/1166793244.db2.gz KZRNQBVSEZKWIM-MRVPVSSYSA-N -1 3 317.309 0.395 20 5 DCBDHM CCO[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590821406 1167033587 /nfs/dbraw/zinc/03/35/87/1167033587.db2.gz HDVKVPNGSVMQSO-VXGBXAGGSA-N -1 3 320.309 0.991 20 5 DCBDHM CCO[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590821406 1167033595 /nfs/dbraw/zinc/03/35/95/1167033595.db2.gz HDVKVPNGSVMQSO-VXGBXAGGSA-N -1 3 320.309 0.991 20 5 DCBDHM CCn1ccnc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590961881 1167060046 /nfs/dbraw/zinc/06/00/46/1167060046.db2.gz FAJRDHFRIPGCNO-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ccnc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590961881 1167060053 /nfs/dbraw/zinc/06/00/53/1167060053.db2.gz FAJRDHFRIPGCNO-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(C[C@@H]1COCCO1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591064922 1167099267 /nfs/dbraw/zinc/09/92/67/1167099267.db2.gz ZLFKBXVPWFOVSE-SECBINFHSA-N -1 3 321.297 0.022 20 5 DCBDHM CN(C[C@@H]1COCCO1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591064922 1167099272 /nfs/dbraw/zinc/09/92/72/1167099272.db2.gz ZLFKBXVPWFOVSE-SECBINFHSA-N -1 3 321.297 0.022 20 5 DCBDHM CN1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001591179537 1167133125 /nfs/dbraw/zinc/13/31/25/1167133125.db2.gz ATJJCTDHYHMLQV-QMMMGPOBSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001591179537 1167133129 /nfs/dbraw/zinc/13/31/29/1167133129.db2.gz ATJJCTDHYHMLQV-QMMMGPOBSA-N -1 3 318.297 0.203 20 5 DCBDHM CNC(=O)C1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591205010 1167155745 /nfs/dbraw/zinc/15/57/45/1167155745.db2.gz SVFYRZOLHKRTKE-UHFFFAOYSA-N -1 3 321.272 0.096 20 5 DCBDHM CNC(=O)C1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591205010 1167155747 /nfs/dbraw/zinc/15/57/47/1167155747.db2.gz SVFYRZOLHKRTKE-UHFFFAOYSA-N -1 3 321.272 0.096 20 5 DCBDHM COC[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)OC ZINC001591377084 1167246548 /nfs/dbraw/zinc/24/65/48/1167246548.db2.gz COCWPSBWFQJKHZ-ZETCQYMHSA-N -1 3 323.313 0.430 20 5 DCBDHM COC[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)OC ZINC001591377084 1167246555 /nfs/dbraw/zinc/24/65/55/1167246555.db2.gz COCWPSBWFQJKHZ-ZETCQYMHSA-N -1 3 323.313 0.430 20 5 DCBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC[N+](=O)[O-] ZINC001591444135 1167288871 /nfs/dbraw/zinc/28/88/71/1167288871.db2.gz SHRQGWJLJOSCFU-UHFFFAOYSA-N -1 3 308.298 0.581 20 5 DCBDHM CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591473516 1167304473 /nfs/dbraw/zinc/30/44/73/1167304473.db2.gz KJQAODBIALDWIO-PELKAZGASA-N -1 3 305.298 0.946 20 5 DCBDHM CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591473516 1167304477 /nfs/dbraw/zinc/30/44/77/1167304477.db2.gz KJQAODBIALDWIO-PELKAZGASA-N -1 3 305.298 0.946 20 5 DCBDHM CS(=O)(=O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591675423 1167351929 /nfs/dbraw/zinc/35/19/29/1167351929.db2.gz WXHSDVNWFDPOSF-UHFFFAOYSA-N -1 3 312.311 0.231 20 5 DCBDHM CS(=O)(=O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591675423 1167351932 /nfs/dbraw/zinc/35/19/32/1167351932.db2.gz WXHSDVNWFDPOSF-UHFFFAOYSA-N -1 3 312.311 0.231 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCOC2(CCC2)C1 ZINC001593469698 1167856776 /nfs/dbraw/zinc/85/67/76/1167856776.db2.gz BZOJOXXEIUXQAQ-UHFFFAOYSA-N -1 3 317.309 0.929 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCOC2(CCC2)C1 ZINC001593469698 1167856782 /nfs/dbraw/zinc/85/67/82/1167856782.db2.gz BZOJOXXEIUXQAQ-UHFFFAOYSA-N -1 3 317.309 0.929 20 5 DCBDHM O=[N+]([O-])c1cc(N2C[C@@H]3COC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001593473570 1167862512 /nfs/dbraw/zinc/86/25/12/1167862512.db2.gz IRSXNFUTBFFDRN-DTORHVGOSA-N -1 3 302.294 0.858 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCS(=O)(=O)C1 ZINC001593482010 1167869062 /nfs/dbraw/zinc/86/90/62/1167869062.db2.gz VEDDKMZACJCFCE-ZETCQYMHSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCS(=O)(=O)C1 ZINC001593482010 1167869068 /nfs/dbraw/zinc/86/90/68/1167869068.db2.gz VEDDKMZACJCFCE-ZETCQYMHSA-N -1 3 324.322 0.374 20 5 DCBDHM C[C@H](C[S@](C)=O)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603572019 1169327200 /nfs/dbraw/zinc/32/72/00/1169327200.db2.gz LEILFQMAXWLMLF-PJLCYMMNSA-N -1 3 324.366 0.978 20 5 DCBDHM C[C@H](O)C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603696164 1169363265 /nfs/dbraw/zinc/36/32/65/1169363265.db2.gz OUOHLGRIAFAWEF-WPRPVWTQSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H](O)C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603696164 1169363273 /nfs/dbraw/zinc/36/32/73/1169363273.db2.gz OUOHLGRIAFAWEF-WPRPVWTQSA-N -1 3 319.325 0.910 20 5 DCBDHM CC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])COC1 ZINC001603751210 1169378555 /nfs/dbraw/zinc/37/85/55/1169378555.db2.gz CVLZVUJZKWFRJA-UHFFFAOYSA-N -1 3 319.277 0.855 20 5 DCBDHM CC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])COC1 ZINC001603751210 1169378558 /nfs/dbraw/zinc/37/85/58/1169378558.db2.gz CVLZVUJZKWFRJA-UHFFFAOYSA-N -1 3 319.277 0.855 20 5 DCBDHM CCN(CCC(=O)NC)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604293455 1169549201 /nfs/dbraw/zinc/54/92/01/1169549201.db2.gz FEDFOXDLXYGBPD-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCN(CCC(=O)NC)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604293455 1169549205 /nfs/dbraw/zinc/54/92/05/1169549205.db2.gz FEDFOXDLXYGBPD-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCOCC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604426758 1169590790 /nfs/dbraw/zinc/59/07/90/1169590790.db2.gz MLMOSJUIRJHKMR-JTQLQIEISA-N -1 3 323.309 0.941 20 5 DCBDHM CCOCC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604426758 1169590792 /nfs/dbraw/zinc/59/07/92/1169590792.db2.gz MLMOSJUIRJHKMR-JTQLQIEISA-N -1 3 323.309 0.941 20 5 DCBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cccnc1[N+](=O)[O-] ZINC001604794461 1169685810 /nfs/dbraw/zinc/68/58/10/1169685810.db2.gz LJVUSZSQYNIRRU-LLVKDONJSA-N -1 3 308.338 0.971 20 5 DCBDHM COC(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604951411 1169759712 /nfs/dbraw/zinc/75/97/12/1169759712.db2.gz UDQSSZHCMKLFCR-UHFFFAOYSA-N -1 3 307.270 0.543 20 5 DCBDHM COC(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604951411 1169759719 /nfs/dbraw/zinc/75/97/19/1169759719.db2.gz UDQSSZHCMKLFCR-UHFFFAOYSA-N -1 3 307.270 0.543 20 5 DCBDHM C[S@@](=O)c1nncn1-c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605361248 1169904855 /nfs/dbraw/zinc/90/48/55/1169904855.db2.gz GCZRUTSPPGPFRY-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM O=C1C[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CN1 ZINC001607040418 1170362091 /nfs/dbraw/zinc/36/20/91/1170362091.db2.gz OQZNLIWWJAMKRM-ZETCQYMHSA-N -1 3 303.282 0.323 20 5 DCBDHM O=C1C[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CN1 ZINC001607040418 1170362098 /nfs/dbraw/zinc/36/20/98/1170362098.db2.gz OQZNLIWWJAMKRM-ZETCQYMHSA-N -1 3 303.282 0.323 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)NCCF)c1 ZINC001607080576 1170381691 /nfs/dbraw/zinc/38/16/91/1170381691.db2.gz XBBDXSBDFROSQI-UHFFFAOYSA-N -1 3 316.274 0.023 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@H](O)C(F)F ZINC001607081022 1170383333 /nfs/dbraw/zinc/38/33/33/1170383333.db2.gz XZYUQBRXTWGFTJ-ZETCQYMHSA-N -1 3 315.240 0.598 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@H](O)C(F)F ZINC001607081022 1170383338 /nfs/dbraw/zinc/38/33/38/1170383338.db2.gz XZYUQBRXTWGFTJ-ZETCQYMHSA-N -1 3 315.240 0.598 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC[C@H]2O)c(-c2nnn[n-]2)c1 ZINC001607082130 1170384822 /nfs/dbraw/zinc/38/48/22/1170384822.db2.gz LSGZKQOJWNAMFQ-GHMZBOCLSA-N -1 3 306.282 0.337 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC[C@H]2O)c(-c2nn[n-]n2)c1 ZINC001607082130 1170384830 /nfs/dbraw/zinc/38/48/30/1170384830.db2.gz LSGZKQOJWNAMFQ-GHMZBOCLSA-N -1 3 306.282 0.337 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2=CCOCC2)c(-c2nnn[n-]2)c1 ZINC001607087065 1170387053 /nfs/dbraw/zinc/38/70/53/1170387053.db2.gz ZOPMWXKCHBBYAU-UHFFFAOYSA-N -1 3 303.282 0.929 20 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ZINC001609218352 1170874496 /nfs/dbraw/zinc/87/44/96/1170874496.db2.gz ZRPQRYPHIDUNSU-UHFFFAOYSA-N -1 3 315.297 0.762 20 5 DCBDHM CCCc1nnnn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609218352 1170874510 /nfs/dbraw/zinc/87/45/10/1170874510.db2.gz ZRPQRYPHIDUNSU-UHFFFAOYSA-N -1 3 315.297 0.762 20 5 DCBDHM COC(=O)N1CC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609300495 1170922215 /nfs/dbraw/zinc/92/22/15/1170922215.db2.gz SQFWJWZTKWEJGH-UHFFFAOYSA-N -1 3 319.281 0.637 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCSC[C@H]2CO)ccc1-c1nnn[n-]1 ZINC001609601189 1171039587 /nfs/dbraw/zinc/03/95/87/1171039587.db2.gz RHFLEAJCRVGERA-SECBINFHSA-N -1 3 322.350 0.689 20 5 DCBDHM CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001610132054 1171166148 /nfs/dbraw/zinc/16/61/48/1171166148.db2.gz BJBVXBPTFLUSSS-SNVBAGLBSA-N -1 3 301.343 0.297 20 5 DCBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001616765212 1171382737 /nfs/dbraw/zinc/38/27/37/1171382737.db2.gz OAAXBUBRONRAKN-UHFFFAOYSA-N -1 3 315.289 0.871 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001641483050 1171918424 /nfs/dbraw/zinc/91/84/24/1171918424.db2.gz CFGXKCIEMAIZLP-MRVPVSSYSA-N -1 3 308.269 0.976 20 5 DCBDHM COc1cc(C(=O)[N-]n2ccc(=O)[nH]c2=O)ccc1[N+](=O)[O-] ZINC001647997828 1173064408 /nfs/dbraw/zinc/06/44/08/1173064408.db2.gz ZRWLZCYEVNLXGJ-UHFFFAOYSA-N -1 3 306.234 0.250 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001650762562 1173733013 /nfs/dbraw/zinc/73/30/13/1173733013.db2.gz VHBQIJHYDKKHKZ-SECBINFHSA-N -1 3 305.294 0.618 20 5 DCBDHM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001662023997 1174176166 /nfs/dbraw/zinc/17/61/66/1174176166.db2.gz MFLLDDOVDDKXSX-LURJTMIESA-N -1 3 321.380 0.768 20 5 DCBDHM CN(C)C1(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC001664696914 1174449767 /nfs/dbraw/zinc/44/97/67/1174449767.db2.gz GWKHKPMFYPVCMP-UHFFFAOYSA-N -1 3 300.340 0.362 20 5 DCBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(=O)NC ZINC001669769146 1174949209 /nfs/dbraw/zinc/94/92/09/1174949209.db2.gz GEMZNJLKXVGXAU-ZETCQYMHSA-N -1 3 321.380 0.768 20 5 DCBDHM CSCC(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097551954 755678957 /nfs/dbraw/zinc/67/89/57/755678957.db2.gz BVNKEUTYQSTLMA-VROVMSAKSA-N -1 3 324.362 0.609 20 5 DCBDHM CSCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055716309 756883347 /nfs/dbraw/zinc/88/33/47/756883347.db2.gz KFPZDQMPFPGYJA-UHFFFAOYSA-N -1 3 312.351 0.707 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156277930 760616877 /nfs/dbraw/zinc/61/68/77/760616877.db2.gz JYLKCKLMONIGIG-ZETCQYMHSA-N -1 3 308.254 0.822 20 5 DCBDHM COCCC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109367035 761377984 /nfs/dbraw/zinc/37/79/84/761377984.db2.gz WODLKCPKBSVZFK-UHFFFAOYSA-N -1 3 312.326 0.992 20 5 DCBDHM CN(CCNC(=O)Cc1cnoc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100277784 763451798 /nfs/dbraw/zinc/45/17/98/763451798.db2.gz JWMHHFUJXLPAMM-UHFFFAOYSA-N -1 3 321.293 0.479 20 5 DCBDHM CSCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099906555 768170927 /nfs/dbraw/zinc/17/09/27/768170927.db2.gz GYWJTKZPRLSKLZ-UHFFFAOYSA-N -1 3 300.340 0.611 20 5 DCBDHM Cc1c[nH]nc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101594545 764178294 /nfs/dbraw/zinc/17/82/94/764178294.db2.gz YRIBINCPCYGPAT-UHFFFAOYSA-N -1 3 320.309 0.911 20 5 DCBDHM COCCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093131190 768471899 /nfs/dbraw/zinc/47/18/99/768471899.db2.gz VQEKUEUBXKJUIU-UHFFFAOYSA-N -1 3 310.310 0.381 20 5 DCBDHM Nc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001149256953 768719518 /nfs/dbraw/zinc/71/95/18/768719518.db2.gz KLFHPPCKKNXWLK-SECBINFHSA-N -1 3 305.294 0.419 20 5 DCBDHM Cc1cnc(NCCNC(=O)c2cnc[n-]c2=O)c([N+](=O)[O-])c1 ZINC001093942055 768779673 /nfs/dbraw/zinc/77/96/73/768779673.db2.gz MVIYKCQBXGOBOX-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM O=C(Cc1ccon1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094345605 769002675 /nfs/dbraw/zinc/00/26/75/769002675.db2.gz AZLMAVOKKBXRSK-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM Cn1nncc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094387411 769024180 /nfs/dbraw/zinc/02/41/80/769024180.db2.gz BOIJNIPLSBCFDJ-UHFFFAOYSA-N -1 3 321.297 0.056 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156279357 770772360 /nfs/dbraw/zinc/77/23/60/770772360.db2.gz QWXIZYRSPGVGAT-ZETCQYMHSA-N -1 3 313.701 0.806 20 5 DCBDHM COc1nc(Nc2cnc(C)[n-]c2=O)nc(OC)c1[N+](=O)[O-] ZINC001162300773 772355440 /nfs/dbraw/zinc/35/54/40/772355440.db2.gz LQLGKFLLQWHMMJ-LURJTMIESA-N -1 3 308.254 0.212 20 5 DCBDHM CN(CCNC(=O)c1ccncn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001316593890 950522483 /nfs/dbraw/zinc/52/24/83/950522483.db2.gz DTTULBCCTWZRME-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1O ZINC001575622762 950645166 /nfs/dbraw/zinc/64/51/66/950645166.db2.gz GSSQPPCMISFGNV-BDAKNGLRSA-N -1 3 319.325 0.928 20 5 DCBDHM CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1O ZINC001575622762 950645182 /nfs/dbraw/zinc/64/51/82/950645182.db2.gz GSSQPPCMISFGNV-BDAKNGLRSA-N -1 3 319.325 0.928 20 5 DCBDHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309197920 960192571 /nfs/dbraw/zinc/19/25/71/960192571.db2.gz PDGSKNNAXPAXCM-JTQLQIEISA-N -1 3 303.340 0.675 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001472895878 1016871795 /nfs/dbraw/zinc/87/17/95/1016871795.db2.gz LLYWXMHXTMRDDK-QMMMGPOBSA-N -1 3 305.298 0.515 20 5 DCBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001452716046 1007008183 /nfs/dbraw/zinc/00/81/83/1007008183.db2.gz ZOTUONRBVBLYIV-UHFFFAOYSA-N -1 3 320.309 0.647 20 5 DCBDHM CN1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001475756622 1017153201 /nfs/dbraw/zinc/15/32/01/1017153201.db2.gz XVKXNVNLJDCFSV-JTQLQIEISA-N -1 3 314.367 0.752 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)N(C)C)c([N+](=O)[O-])s1 ZINC001660654468 1174030834 /nfs/dbraw/zinc/03/08/34/1174030834.db2.gz DKBZCIJTRPUZKX-SSDOTTSWSA-N -1 3 321.380 0.720 20 5 DCBDHM NC(=O)CO[N-]C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001631793311 1171600127 /nfs/dbraw/zinc/60/01/27/1171600127.db2.gz NRLXDPVWYCRFHT-UHFFFAOYSA-N -1 3 317.685 0.550 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000272724537 210129290 /nfs/dbraw/zinc/12/92/90/210129290.db2.gz YGMJAKXKMVXAPS-JTQLQIEISA-N -1 3 318.351 0.843 20 5 DCBDHM Cc1ccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332588975 235155990 /nfs/dbraw/zinc/15/59/90/235155990.db2.gz DNWYOSIEEDQNQX-NSHDSACASA-N -1 3 318.289 0.279 20 5 DCBDHM CC(CO)(CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274914963 212029823 /nfs/dbraw/zinc/02/98/23/212029823.db2.gz JZCMLHSMRCHRJG-UHFFFAOYSA-N -1 3 304.249 0.546 20 5 DCBDHM CC(C)(C(=O)[N-]n1cn[nH]c1=O)c1ccc([N+](=O)[O-])cc1F ZINC000273899071 211156580 /nfs/dbraw/zinc/15/65/80/211156580.db2.gz VOMJTGAAMWDNDO-UHFFFAOYSA-N -1 3 309.257 0.667 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000047958672 183611334 /nfs/dbraw/zinc/61/13/34/183611334.db2.gz XPGHWXNWGXJJJB-QMMMGPOBSA-N -1 3 302.308 0.743 20 5 DCBDHM COC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000272899057 210287307 /nfs/dbraw/zinc/28/73/07/210287307.db2.gz IOTNEKXJFJXCBT-SECBINFHSA-N -1 3 304.324 0.535 20 5 DCBDHM Cn1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000348347978 254233408 /nfs/dbraw/zinc/23/34/08/254233408.db2.gz UCPQJQWGTHHNSY-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM COC[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000219853243 395846445 /nfs/dbraw/zinc/84/64/45/395846445.db2.gz UADRWUWZIDVBIS-MRVPVSSYSA-N -1 3 322.314 0.410 20 5 DCBDHM COC(=O)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276909354 396035251 /nfs/dbraw/zinc/03/52/51/396035251.db2.gz WYPHSPOJKLECKW-UHFFFAOYSA-N -1 3 302.308 0.663 20 5 DCBDHM CCn1c(=O)[n-]nc1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178113577 396189364 /nfs/dbraw/zinc/18/93/64/396189364.db2.gz RVHBRDAXVXKROZ-UHFFFAOYSA-N -1 3 312.307 0.886 20 5 DCBDHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265676781 396336251 /nfs/dbraw/zinc/33/62/51/396336251.db2.gz IMYXVWZNFPMCFO-UHFFFAOYSA-N -1 3 304.262 0.036 20 5 DCBDHM O=C(NCCCN1CCC(O)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268718254 396369176 /nfs/dbraw/zinc/36/91/76/396369176.db2.gz YMBADFGUWSWWAS-UHFFFAOYSA-N -1 3 324.337 0.272 20 5 DCBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000269209535 396395453 /nfs/dbraw/zinc/39/54/53/396395453.db2.gz VISSTUDTNCULLU-NSHDSACASA-N -1 3 322.365 0.666 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000289733233 396461281 /nfs/dbraw/zinc/46/12/81/396461281.db2.gz XSBXZVYOBVPXCZ-LBPRGKRZSA-N -1 3 314.319 0.887 20 5 DCBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588863715 396695926 /nfs/dbraw/zinc/69/59/26/396695926.db2.gz UNGAPFRHKFXQBP-WDEREUQCSA-N -1 3 321.333 0.582 20 5 DCBDHM Nc1c(C(=O)NCCCc2cc(=O)[nH][n-]2)cc(F)cc1[N+](=O)[O-] ZINC000588875978 396697506 /nfs/dbraw/zinc/69/75/06/396697506.db2.gz NWZQGXKNVJBHAD-UHFFFAOYSA-N -1 3 323.284 0.702 20 5 DCBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])S(C)(=O)=O ZINC000596073038 396715134 /nfs/dbraw/zinc/71/51/34/396715134.db2.gz DISHGAJBVOWNNB-UHFFFAOYSA-N -1 3 304.328 0.389 20 5 DCBDHM CCOCCOC[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596205363 396732133 /nfs/dbraw/zinc/73/21/33/396732133.db2.gz ITEXUPXNOIIFNQ-VIFPVBQESA-N -1 3 301.299 0.521 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619475079 397136303 /nfs/dbraw/zinc/13/63/03/397136303.db2.gz UHPRZFREMFHNIT-ZETCQYMHSA-N -1 3 318.307 0.443 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]C2(C(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000613476991 397264004 /nfs/dbraw/zinc/26/40/04/397264004.db2.gz NRVQKWAFUZZFDB-UHFFFAOYSA-N -1 3 319.364 0.651 20 5 DCBDHM COC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000321298491 159011005 /nfs/dbraw/zinc/01/10/05/159011005.db2.gz LYHCDMXHJDSMTN-UHFFFAOYSA-N -1 3 321.249 0.317 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000280142252 415525742 /nfs/dbraw/zinc/52/57/42/415525742.db2.gz FEAYXPCEHSOEGT-JTQLQIEISA-N -1 3 318.351 0.497 20 5 DCBDHM CCOCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000298862148 416034390 /nfs/dbraw/zinc/03/43/90/416034390.db2.gz RFHYWSNTKVQUTK-UHFFFAOYSA-N -1 3 304.324 0.918 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)cc1 ZINC000228545002 416327828 /nfs/dbraw/zinc/32/78/28/416327828.db2.gz RJDFUPTXEXHVSX-MRVPVSSYSA-N -1 3 314.241 0.796 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-]C(C)(C)CN(C)C)c([N+](=O)[O-])n1 ZINC000416509419 416372857 /nfs/dbraw/zinc/37/28/57/416372857.db2.gz RJFCMZWECUQGHF-UHFFFAOYSA-N -1 3 319.387 0.430 20 5 DCBDHM Cc1ccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1[N+](=O)[O-] ZINC000360161068 416375647 /nfs/dbraw/zinc/37/56/47/416375647.db2.gz FECYDTUTPIYJMM-UHFFFAOYSA-N -1 3 305.250 0.939 20 5 DCBDHM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590390028 416526981 /nfs/dbraw/zinc/52/69/81/416526981.db2.gz NSHVDPFBQWTNAJ-UHFFFAOYSA-N -1 3 316.233 0.925 20 5 DCBDHM Cn1ccnc(NCc2nc3ccc([N+](=O)[O-])cc3[n-]2)c1=O ZINC000443968173 416793736 /nfs/dbraw/zinc/79/37/36/416793736.db2.gz VWWKERLXPAOBDB-UHFFFAOYSA-N -1 3 300.278 1.177 20 5 DCBDHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC000522254460 417057587 /nfs/dbraw/zinc/05/75/87/417057587.db2.gz GTONAKKXVFLGDN-JTQLQIEISA-N -1 3 320.305 0.845 20 5 DCBDHM COCC(COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451894197 417413638 /nfs/dbraw/zinc/41/36/38/417413638.db2.gz ZCCUEDORSLDVSM-UHFFFAOYSA-N -1 3 324.380 0.904 20 5 DCBDHM O=C(NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1[O-] ZINC000452359859 417472293 /nfs/dbraw/zinc/47/22/93/417472293.db2.gz HTCNLRIXIPPFEB-LLVKDONJSA-N -1 3 323.349 0.877 20 5 DCBDHM COc1ncc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1C(N)=O ZINC000354546494 261235099 /nfs/dbraw/zinc/23/50/99/261235099.db2.gz ROKQHXUZJAKUON-UHFFFAOYSA-N -1 3 306.234 0.943 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000355325243 261331481 /nfs/dbraw/zinc/33/14/81/261331481.db2.gz NSOLXCYXSRKDFQ-LQPUYASZSA-N -1 3 316.317 0.844 20 5 DCBDHM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)N1CCO ZINC000412381080 262187500 /nfs/dbraw/zinc/18/75/00/262187500.db2.gz SNQFUEMFXKNCHH-AOOOYVTPSA-N -1 3 324.337 0.223 20 5 DCBDHM O=C(/C=C\c1cncc([O-])c1)NCCn1cc([N+](=O)[O-])cn1 ZINC000492522827 272132746 /nfs/dbraw/zinc/13/27/46/272132746.db2.gz VHMHTTPPKBEANE-UPHRSURJSA-N -1 3 303.278 0.722 20 5 DCBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCN(C)C ZINC000583273751 337299733 /nfs/dbraw/zinc/29/97/33/337299733.db2.gz ZVXCUKLBHIJLEC-SECBINFHSA-N -1 3 324.337 0.097 20 5 DCBDHM CN1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O ZINC000160069321 524013922 /nfs/dbraw/zinc/01/39/22/524013922.db2.gz MTFKLBJLEJPHKB-VIFPVBQESA-N -1 3 313.335 0.494 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCn3cnnc3C2)c(-c2nnn[n-]2)c1 ZINC000738371680 598337909 /nfs/dbraw/zinc/33/79/09/598337909.db2.gz WKPIAJVULFBWTR-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCn3cnnc3C2)c(-c2nn[n-]n2)c1 ZINC000738371680 598337911 /nfs/dbraw/zinc/33/79/11/598337911.db2.gz WKPIAJVULFBWTR-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM CC[C@@H](CCO)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820903422 606723106 /nfs/dbraw/zinc/72/31/06/606723106.db2.gz ULAACJJFVVAICB-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@@H](CCO)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820903422 606723107 /nfs/dbraw/zinc/72/31/07/606723107.db2.gz ULAACJJFVVAICB-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC000825210777 608017871 /nfs/dbraw/zinc/01/78/71/608017871.db2.gz JAYMWZHLPXCBDU-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O ZINC000825210777 608017872 /nfs/dbraw/zinc/01/78/72/608017872.db2.gz JAYMWZHLPXCBDU-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@H]1CCO ZINC000826497851 608077371 /nfs/dbraw/zinc/07/73/71/608077371.db2.gz WQEZJBGXXCSZFW-SNVBAGLBSA-N -1 3 320.309 0.363 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@H]1CCO ZINC000826497851 608077372 /nfs/dbraw/zinc/07/73/72/608077372.db2.gz WQEZJBGXXCSZFW-SNVBAGLBSA-N -1 3 320.309 0.363 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826362737 608201603 /nfs/dbraw/zinc/20/16/03/608201603.db2.gz HBSFVPWWBICWBP-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826362737 608201605 /nfs/dbraw/zinc/20/16/05/608201605.db2.gz HBSFVPWWBICWBP-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCc2cnccn2)c(-c2nnn[n-]2)c1 ZINC000826500863 608415988 /nfs/dbraw/zinc/41/59/88/608415988.db2.gz PAFGJVZXLBHDGR-UHFFFAOYSA-N -1 3 313.281 0.615 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCc2cnccn2)c(-c2nn[n-]n2)c1 ZINC000826500863 608415990 /nfs/dbraw/zinc/41/59/90/608415990.db2.gz PAFGJVZXLBHDGR-UHFFFAOYSA-N -1 3 313.281 0.615 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824688952 609568772 /nfs/dbraw/zinc/56/87/72/609568772.db2.gz JBBSPVCRUAGWNV-JGVFFNPUSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824688952 609568774 /nfs/dbraw/zinc/56/87/74/609568774.db2.gz JBBSPVCRUAGWNV-JGVFFNPUSA-N -1 3 305.298 0.377 20 5 DCBDHM Cc1nc(C)c(CC(=O)OCCn2ccc([N+](=O)[O-])n2)c(=O)[n-]1 ZINC000748110209 667918859 /nfs/dbraw/zinc/91/88/59/667918859.db2.gz ADTQFXMQHQUSSR-UHFFFAOYSA-N -1 3 321.293 0.690 20 5 DCBDHM CCn1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000859250031 671087303 /nfs/dbraw/zinc/08/73/03/671087303.db2.gz PIFYRPDOEZODMC-UHFFFAOYSA-N -1 3 312.311 0.080 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837412810 671860889 /nfs/dbraw/zinc/86/08/89/671860889.db2.gz KYPNBLUHKOZSPO-UHFFFAOYSA-N -1 3 319.277 0.908 20 5 DCBDHM C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001589888581 1166711230 /nfs/dbraw/zinc/71/12/30/1166711230.db2.gz BELRIRNHFIEESD-IUCAKERBSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001589888581 1166711237 /nfs/dbraw/zinc/71/12/37/1166711237.db2.gz BELRIRNHFIEESD-IUCAKERBSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589996061 1166742551 /nfs/dbraw/zinc/74/25/51/1166742551.db2.gz GITCXAKXOSTVFQ-BQBZGAKWSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589996061 1166742555 /nfs/dbraw/zinc/74/25/55/1166742555.db2.gz GITCXAKXOSTVFQ-BQBZGAKWSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@H]1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC001590181610 1166801965 /nfs/dbraw/zinc/80/19/65/1166801965.db2.gz RQOHRWMDTAWRFX-ZETCQYMHSA-N -1 3 316.277 0.670 20 5 DCBDHM C[C@H]1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC001590181610 1166801975 /nfs/dbraw/zinc/80/19/75/1166801975.db2.gz RQOHRWMDTAWRFX-ZETCQYMHSA-N -1 3 316.277 0.670 20 5 DCBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590274236 1166836642 /nfs/dbraw/zinc/83/66/42/1166836642.db2.gz HCBCNJMVBSCGJF-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590274236 1166836646 /nfs/dbraw/zinc/83/66/46/1166836646.db2.gz HCBCNJMVBSCGJF-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001590311025 1166857672 /nfs/dbraw/zinc/85/76/72/1166857672.db2.gz DBZJLJAYCVLPDR-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001590311025 1166857676 /nfs/dbraw/zinc/85/76/76/1166857676.db2.gz DBZJLJAYCVLPDR-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1O ZINC001590311491 1166858431 /nfs/dbraw/zinc/85/84/31/1166858431.db2.gz HBHMCWPCKONBLP-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@@H]1O ZINC001590311491 1166858435 /nfs/dbraw/zinc/85/84/35/1166858435.db2.gz HBHMCWPCKONBLP-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314397 1166860261 /nfs/dbraw/zinc/86/02/61/1166860261.db2.gz SZKBNINAWAFAEJ-KCJUWKMLSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314397 1166860270 /nfs/dbraw/zinc/86/02/70/1166860270.db2.gz SZKBNINAWAFAEJ-KCJUWKMLSA-N -1 3 304.310 0.982 20 5 DCBDHM CCC[C@@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590559251 1166941333 /nfs/dbraw/zinc/94/13/33/1166941333.db2.gz DPMOQZDTRBPVGJ-VXGBXAGGSA-N -1 3 322.325 0.709 20 5 DCBDHM CCC[C@@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590559251 1166941334 /nfs/dbraw/zinc/94/13/34/1166941334.db2.gz DPMOQZDTRBPVGJ-VXGBXAGGSA-N -1 3 322.325 0.709 20 5 DCBDHM CCOCC[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590808071 1167026231 /nfs/dbraw/zinc/02/62/31/1167026231.db2.gz APOZXRYESQGQRB-SECBINFHSA-N -1 3 323.309 0.941 20 5 DCBDHM CCOCC[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590808071 1167026242 /nfs/dbraw/zinc/02/62/42/1167026242.db2.gz APOZXRYESQGQRB-SECBINFHSA-N -1 3 323.309 0.941 20 5 DCBDHM CN(C[C@H]1COCCO1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591064475 1167098177 /nfs/dbraw/zinc/09/81/77/1167098177.db2.gz QEBSYLBYYOINEZ-VIFPVBQESA-N -1 3 320.309 0.627 20 5 DCBDHM CN(C[C@H]1COCCO1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591064475 1167098179 /nfs/dbraw/zinc/09/81/79/1167098179.db2.gz QEBSYLBYYOINEZ-VIFPVBQESA-N -1 3 320.309 0.627 20 5 DCBDHM CN(Cc1nncn1C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591153958 1167120183 /nfs/dbraw/zinc/12/01/83/1167120183.db2.gz LSEIQRKRDOATPH-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1nncn1C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591153958 1167120186 /nfs/dbraw/zinc/12/01/86/1167120186.db2.gz LSEIQRKRDOATPH-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001591179536 1167131870 /nfs/dbraw/zinc/13/18/70/1167131870.db2.gz ATJJCTDHYHMLQV-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001591179536 1167131874 /nfs/dbraw/zinc/13/18/74/1167131874.db2.gz ATJJCTDHYHMLQV-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CNC(=O)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591207938 1167155947 /nfs/dbraw/zinc/15/59/47/1167155947.db2.gz LZEWPAXENRSRKL-UHFFFAOYSA-N -1 3 305.298 0.631 20 5 DCBDHM CNC(=O)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591207938 1167155950 /nfs/dbraw/zinc/15/59/50/1167155950.db2.gz LZEWPAXENRSRKL-UHFFFAOYSA-N -1 3 305.298 0.631 20 5 DCBDHM COCC(COC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591378132 1167249457 /nfs/dbraw/zinc/24/94/57/1167249457.db2.gz XXNPOECTUOWCRF-UHFFFAOYSA-N -1 3 308.298 0.848 20 5 DCBDHM COCC(COC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591378132 1167249463 /nfs/dbraw/zinc/24/94/63/1167249463.db2.gz XXNPOECTUOWCRF-UHFFFAOYSA-N -1 3 308.298 0.848 20 5 DCBDHM COC[C@H](O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591380705 1167249782 /nfs/dbraw/zinc/24/97/82/1167249782.db2.gz INGOVFNIXZRREX-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@H](O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591380705 1167249789 /nfs/dbraw/zinc/24/97/89/1167249789.db2.gz INGOVFNIXZRREX-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM Cc1cc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n(C)n1 ZINC001591970575 1167427279 /nfs/dbraw/zinc/42/72/79/1167427279.db2.gz SKVHNJJFBDWBLT-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1cc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n(C)n1 ZINC001591970575 1167427283 /nfs/dbraw/zinc/42/72/83/1167427283.db2.gz SKVHNJJFBDWBLT-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cn1c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n[nH]c1=O ZINC001592552930 1167557644 /nfs/dbraw/zinc/55/76/44/1167557644.db2.gz UNQPVGHOGKOIPI-UHFFFAOYSA-N -1 3 317.269 0.221 20 5 DCBDHM NC(=O)CCSc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592728014 1167617631 /nfs/dbraw/zinc/61/76/31/1167617631.db2.gz IENWOXJVJJAHQF-UHFFFAOYSA-N -1 3 312.286 0.882 20 5 DCBDHM Nc1c([N+](=O)[O-])cnn1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592758294 1167636727 /nfs/dbraw/zinc/63/67/27/1167636727.db2.gz AANQLIGAAUTAGD-UHFFFAOYSA-N -1 3 304.245 0.741 20 5 DCBDHM Nc1c([N+](=O)[O-])cnn1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592758294 1167636732 /nfs/dbraw/zinc/63/67/32/1167636732.db2.gz AANQLIGAAUTAGD-UHFFFAOYSA-N -1 3 304.245 0.741 20 5 DCBDHM O=[N+]([O-])c1cc(NC2COCCOC2)ccc1-c1nnn[n-]1 ZINC001593474538 1167860563 /nfs/dbraw/zinc/86/05/63/1167860563.db2.gz SAKWSSVSMCVCQE-UHFFFAOYSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3COC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593485320 1167866294 /nfs/dbraw/zinc/86/62/94/1167866294.db2.gz ABBVALSWVSIBBM-OCAPTIKFSA-N -1 3 303.282 0.253 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3COC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593485320 1167866305 /nfs/dbraw/zinc/86/63/05/1167866305.db2.gz ABBVALSWVSIBBM-OCAPTIKFSA-N -1 3 303.282 0.253 20 5 DCBDHM O=[N+]([O-])c1nccn1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593481647 1167869120 /nfs/dbraw/zinc/86/91/20/1167869120.db2.gz IHVDCMTXBFXRNG-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1nccn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593481647 1167869131 /nfs/dbraw/zinc/86/91/31/1167869131.db2.gz IHVDCMTXBFXRNG-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001593486843 1167873367 /nfs/dbraw/zinc/87/33/67/1167873367.db2.gz QGUHWPPOWKEHLO-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001593486843 1167873377 /nfs/dbraw/zinc/87/33/77/1167873377.db2.gz QGUHWPPOWKEHLO-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1CO ZINC001603909929 1169430881 /nfs/dbraw/zinc/43/08/81/1169430881.db2.gz QGGPBDDXNCDZSP-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1CO ZINC001603909929 1169430882 /nfs/dbraw/zinc/43/08/82/1169430882.db2.gz QGGPBDDXNCDZSP-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC001603942087 1169446987 /nfs/dbraw/zinc/44/69/87/1169446987.db2.gz ZBKNIELSOBCGPX-OQPBUACISA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC001603942087 1169446993 /nfs/dbraw/zinc/44/69/93/1169446993.db2.gz ZBKNIELSOBCGPX-OQPBUACISA-N -1 3 319.325 0.625 20 5 DCBDHM CCC(=O)N1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603970434 1169457694 /nfs/dbraw/zinc/45/76/94/1169457694.db2.gz BSJCDPGGMWLYHZ-UHFFFAOYSA-N -1 3 317.309 0.791 20 5 DCBDHM CCC(=O)N1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603970434 1169457699 /nfs/dbraw/zinc/45/76/99/1169457699.db2.gz BSJCDPGGMWLYHZ-UHFFFAOYSA-N -1 3 317.309 0.791 20 5 DCBDHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001604111848 1169496046 /nfs/dbraw/zinc/49/60/46/1169496046.db2.gz LHQBAVGUNLHGMI-GZMMTYOYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001604111848 1169496055 /nfs/dbraw/zinc/49/60/55/1169496055.db2.gz LHQBAVGUNLHGMI-GZMMTYOYSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604717839 1169663076 /nfs/dbraw/zinc/66/30/76/1169663076.db2.gz MQRGRWDTTNMDEM-NSHDSACASA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604717839 1169663078 /nfs/dbraw/zinc/66/30/78/1169663078.db2.gz MQRGRWDTTNMDEM-NSHDSACASA-N -1 3 304.310 0.982 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604879161 1169726820 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DCBDHM NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001606424361 1170195388 /nfs/dbraw/zinc/19/53/88/1170195388.db2.gz LNIJHIRVMQUXEM-JTQLQIEISA-N -1 3 303.282 0.229 20 5 DCBDHM NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001606424361 1170195389 /nfs/dbraw/zinc/19/53/89/1170195389.db2.gz LNIJHIRVMQUXEM-JTQLQIEISA-N -1 3 303.282 0.229 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC3(C2)CCOC3)c(-c2nnn[n-]2)c1 ZINC001607086956 1170386696 /nfs/dbraw/zinc/38/66/96/1170386696.db2.gz VTYCXOVNAYWHAQ-UHFFFAOYSA-N -1 3 303.282 0.397 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC3(C2)CCOC3)c(-c2nn[n-]n2)c1 ZINC001607086956 1170386703 /nfs/dbraw/zinc/38/67/03/1170386703.db2.gz VTYCXOVNAYWHAQ-UHFFFAOYSA-N -1 3 303.282 0.397 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)n1 ZINC001608914921 1170772038 /nfs/dbraw/zinc/77/20/38/1170772038.db2.gz QXZMKDXAQWEUSO-QMMMGPOBSA-N -1 3 308.294 0.255 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001609174898 1170845683 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O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001634446368 1171674936 /nfs/dbraw/zinc/67/49/36/1171674936.db2.gz MLCDJMCIWLVPIQ-UHFFFAOYSA-N -1 3 318.293 0.481 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3c([N+](=O)[O-])cnn3C)C2)n1 ZINC001640403333 1171879401 /nfs/dbraw/zinc/87/94/01/1171879401.db2.gz JAJWPANACNRGGQ-VIFPVBQESA-N -1 3 319.325 0.823 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001647860200 1173057728 /nfs/dbraw/zinc/05/77/28/1173057728.db2.gz WRSRRNRRGRTEBD-SECBINFHSA-N -1 3 320.305 0.845 20 5 DCBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccncc1[N+](=O)[O-] ZINC001675569893 1175374116 /nfs/dbraw/zinc/37/41/16/1175374116.db2.gz ZMBQLBMMHGLLON-UHFFFAOYSA-N -1 3 312.282 0.807 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(NCC=CCNC(=O)c2cn[n-]n2)n1 ZINC001107587140 752137011 /nfs/dbraw/zinc/13/70/11/752137011.db2.gz PWTZFZJIBGTKPU-NSCUHMNNSA-N -1 3 317.309 0.814 20 5 DCBDHM COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1[n-]c(=O)nc1CN ZINC001168762354 754882306 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Cn1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001093652201 768671279 /nfs/dbraw/zinc/67/12/79/768671279.db2.gz IZCMGYOUHROLHF-UHFFFAOYSA-N -1 3 306.282 0.271 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cocn1 ZINC001094335718 768996649 /nfs/dbraw/zinc/99/66/49/768996649.db2.gz CLVDSTDIUORCLF-UHFFFAOYSA-N -1 3 307.266 0.915 20 5 DCBDHM CCOC(=O)[C@@]1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001187381048 772177367 /nfs/dbraw/zinc/17/73/67/772177367.db2.gz ZTYMKSFMAWKVIW-CYBMUJFWSA-N -1 3 311.294 0.854 20 5 DCBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1nccnc1[N+](=O)[O-] ZINC001163040436 772447843 /nfs/dbraw/zinc/44/78/43/772447843.db2.gz UZMUDCDGPDQAIK-UHFFFAOYSA-N -1 3 307.251 0.071 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])cc(NCCCc2c[n-][nH]c2=O)n1 ZINC001164370509 772650730 /nfs/dbraw/zinc/65/07/30/772650730.db2.gz FRXPGNQUSHBIFB-QMMMGPOBSA-N -1 3 321.293 0.700 20 5 DCBDHM CCN(CCCNC(=O)COC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095832416 775766659 /nfs/dbraw/zinc/76/66/59/775766659.db2.gz PDHBBNHJQSCRBS-UHFFFAOYSA-N -1 3 312.326 0.674 20 5 DCBDHM CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001573451152 945834662 /nfs/dbraw/zinc/83/46/62/945834662.db2.gz SJNRLBXRWCSNMA-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001573451152 945834676 /nfs/dbraw/zinc/83/46/76/945834676.db2.gz SJNRLBXRWCSNMA-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CN(CCNC(=O)c1cccnn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001263681155 948734137 /nfs/dbraw/zinc/73/41/37/948734137.db2.gz ZBFIKOMJOOSYAG-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM CC1(C)[C@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001575622764 950642436 /nfs/dbraw/zinc/64/24/36/950642436.db2.gz GSSQPPCMISFGNV-DTWKUNHWSA-N -1 3 319.325 0.928 20 5 DCBDHM CC1(C)[C@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001575622764 950642447 /nfs/dbraw/zinc/64/24/47/950642447.db2.gz GSSQPPCMISFGNV-DTWKUNHWSA-N -1 3 319.325 0.928 20 5 DCBDHM CC(=O)Nc1nc(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)cs1 ZINC001525717429 1015166734 /nfs/dbraw/zinc/16/67/34/1015166734.db2.gz GZOXAMQPQYZWEI-UHFFFAOYSA-N -1 3 310.295 0.996 20 5 DCBDHM C[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001472894240 1016869811 /nfs/dbraw/zinc/86/98/11/1016869811.db2.gz CNWNASUBGLCTIU-QPUJVOFHSA-N -1 3 313.335 0.566 20 5 DCBDHM COc1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cc1[N+](=O)[O-] ZINC001453743483 1008697016 /nfs/dbraw/zinc/69/70/16/1008697016.db2.gz MKLVGAGWFZOFIZ-ZETCQYMHSA-N -1 3 322.277 0.531 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001454186094 1008985563 /nfs/dbraw/zinc/98/55/63/1008985563.db2.gz LKPCCEMJBQPBGN-MRVPVSSYSA-N -1 3 308.269 0.976 20 5 DCBDHM COC(=O)C1=NO[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001559261087 1012411993 /nfs/dbraw/zinc/41/19/93/1012411993.db2.gz LVUPAFJHQYHHRD-CYBMUJFWSA-N -1 3 322.277 0.594 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nncn1C1CC1 ZINC000281305727 216226694 /nfs/dbraw/zinc/22/66/94/216226694.db2.gz ZMGODRQASFDTDM-UHFFFAOYSA-N -1 3 323.334 1.000 20 5 DCBDHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000317955921 291255718 /nfs/dbraw/zinc/25/57/18/291255718.db2.gz DJQOJCMBWGSYOI-UHFFFAOYSA-N -1 3 313.285 0.822 20 5 DCBDHM O=C([O-])c1cnc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000566858809 291326614 /nfs/dbraw/zinc/32/66/14/291326614.db2.gz WIZSWIUHRRADHP-LLVKDONJSA-N -1 3 324.337 0.947 20 5 DCBDHM C[C@]1(C[C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)NC(=O)[N-]C1=O ZINC000343357675 291394954 /nfs/dbraw/zinc/39/49/54/291394954.db2.gz GTBCLPOIMOGFHJ-YMTOWFKASA-N -1 3 319.321 0.947 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000275082624 212110898 /nfs/dbraw/zinc/11/08/98/212110898.db2.gz ODCNMPXVWMQTBT-SSDOTTSWSA-N -1 3 322.314 0.792 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000104366659 194001786 /nfs/dbraw/zinc/00/17/86/194001786.db2.gz NHHLRPUGDDJIJC-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000104366659 194001788 /nfs/dbraw/zinc/00/17/88/194001788.db2.gz NHHLRPUGDDJIJC-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM Cn1cncc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000349781434 254297158 /nfs/dbraw/zinc/29/71/58/254297158.db2.gz GNBFVSGYHSTRGC-UHFFFAOYSA-N -1 3 314.298 0.946 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]CCCOCCO)c([N+](=O)[O-])c1 ZINC000352048128 254392563 /nfs/dbraw/zinc/39/25/63/254392563.db2.gz MFJPQKRUFZQPMN-UHFFFAOYSA-N -1 3 318.351 0.581 20 5 DCBDHM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289496843 221019101 /nfs/dbraw/zinc/01/91/01/221019101.db2.gz JNKHXYFJAQGWCR-WPRPVWTQSA-N -1 3 302.308 0.287 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000037565043 395727781 /nfs/dbraw/zinc/72/77/81/395727781.db2.gz UTLPKMYTGRASNM-UHFFFAOYSA-N -1 3 318.307 0.445 20 5 DCBDHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046800608 395779812 /nfs/dbraw/zinc/77/98/12/395779812.db2.gz IINHQRGBGUHQEB-UHFFFAOYSA-N -1 3 302.308 0.825 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nncn1C ZINC000056034411 395926072 /nfs/dbraw/zinc/92/60/72/395926072.db2.gz QZNWFNMROXAVGM-UHFFFAOYSA-N -1 3 311.323 0.510 20 5 DCBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]C[C@H](O)C(F)F)cc1 ZINC000228622540 395872541 /nfs/dbraw/zinc/87/25/41/395872541.db2.gz SNRDBMIDXGGKQO-VIFPVBQESA-N -1 3 310.278 0.640 20 5 DCBDHM COc1cc(CNC[C@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])cc1[O-] ZINC000276498655 396004433 /nfs/dbraw/zinc/00/44/33/396004433.db2.gz RIFOKOQEIZYQJW-MRVPVSSYSA-N -1 3 324.293 0.029 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588861415 396696140 /nfs/dbraw/zinc/69/61/40/396696140.db2.gz UATHKLRIDZEDOH-VXGBXAGGSA-N -1 3 321.333 0.582 20 5 DCBDHM O=C(NC1CC1)N[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596197918 396730501 /nfs/dbraw/zinc/73/05/01/396730501.db2.gz NTZDSHXDBXFFDX-SECBINFHSA-N -1 3 307.310 0.736 20 5 DCBDHM O=c1[n-]ccc(N2CCN(Cc3nc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000596294741 396756635 /nfs/dbraw/zinc/75/66/35/396756635.db2.gz KRRPZRLIBDYOPQ-UHFFFAOYSA-N -1 3 305.298 0.136 20 5 DCBDHM O=C(Nc1nc(CCO)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590391548 396769986 /nfs/dbraw/zinc/76/99/86/396769986.db2.gz FMXUDFXZQVOPNT-UHFFFAOYSA-N -1 3 310.291 0.939 20 5 DCBDHM COCCN1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374532 396973467 /nfs/dbraw/zinc/97/34/67/396973467.db2.gz AQKXLBZOCZHIBD-LLVKDONJSA-N -1 3 324.337 0.536 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351378593 397125546 /nfs/dbraw/zinc/12/55/46/397125546.db2.gz VUUHRXGCJMTHIU-UHFFFAOYSA-N -1 3 317.265 0.888 20 5 DCBDHM O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000593290590 397348220 /nfs/dbraw/zinc/34/82/20/397348220.db2.gz IKLJNURXAGUNFL-VIFPVBQESA-N -1 3 324.318 0.933 20 5 DCBDHM CCC(CC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(N)=O ZINC000593539351 397385688 /nfs/dbraw/zinc/38/56/88/397385688.db2.gz WRGAGMAXLCNICV-UHFFFAOYSA-N -1 3 316.339 0.312 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[S@](C)=O ZINC000116901632 158168424 /nfs/dbraw/zinc/16/84/24/158168424.db2.gz ZCBUDZSYGLDNAF-LJQANCHMSA-N -1 3 320.392 0.950 20 5 DCBDHM C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1=O ZINC000289761226 415716711 /nfs/dbraw/zinc/71/67/11/415716711.db2.gz ZEOCMUPUQDFWDD-LLVKDONJSA-N -1 3 300.292 0.579 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354525549 415805101 /nfs/dbraw/zinc/80/51/01/415805101.db2.gz XQCFCXGIEWQCDT-UHFFFAOYSA-N -1 3 315.293 0.838 20 5 DCBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297155556 415955319 /nfs/dbraw/zinc/95/53/19/415955319.db2.gz RQPSTTOHBHRVHE-UHFFFAOYSA-N -1 3 311.323 0.754 20 5 DCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCC(N)=O)cc1[N+](=O)[O-] ZINC000176670764 416131947 /nfs/dbraw/zinc/13/19/47/416131947.db2.gz TWSWGZFETGOVBL-UHFFFAOYSA-N -1 3 321.742 0.710 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000360506428 416393609 /nfs/dbraw/zinc/39/36/09/416393609.db2.gz ZKJVEYNWOMJXFN-QMMMGPOBSA-N -1 3 301.324 0.445 20 5 DCBDHM NC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000361980870 416540147 /nfs/dbraw/zinc/54/01/47/416540147.db2.gz CZCGJGYPGXDQPN-UHFFFAOYSA-N -1 3 303.234 0.442 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COCCC2=O)cc1[N+](=O)[O-] ZINC000599442512 416613483 /nfs/dbraw/zinc/61/34/83/416613483.db2.gz UOOPGGLONLOZLY-SSDOTTSWSA-N -1 3 320.348 0.601 20 5 DCBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000431285566 417116477 /nfs/dbraw/zinc/11/64/77/417116477.db2.gz ZIXNBEOWLANNEB-VIFPVBQESA-N -1 3 316.335 0.991 20 5 DCBDHM NC(=O)[N-]C(=O)OCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000496125916 287618875 /nfs/dbraw/zinc/61/88/75/287618875.db2.gz FMDPLQSNOLLMCX-UHFFFAOYSA-N -1 3 302.218 0.091 20 5 DCBDHM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000314071511 261174482 /nfs/dbraw/zinc/17/44/82/261174482.db2.gz FGFHIJKMQGZISV-SSDOTTSWSA-N -1 3 320.298 0.964 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000363687409 262127831 /nfs/dbraw/zinc/12/78/31/262127831.db2.gz AASPFSISWNKLFL-RYUDHWBXSA-N -1 3 321.333 0.893 20 5 DCBDHM CN(C)CC[C@@](C)(O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000420005590 262357099 /nfs/dbraw/zinc/35/70/99/262357099.db2.gz XQRYRUBNGAAIGJ-CYBMUJFWSA-N -1 3 312.326 0.128 20 5 DCBDHM CN(C)CC[C@](C)(O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000420005591 262357282 /nfs/dbraw/zinc/35/72/82/262357282.db2.gz XQRYRUBNGAAIGJ-ZDUSSCGKSA-N -1 3 312.326 0.128 20 5 DCBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000340920308 276042110 /nfs/dbraw/zinc/04/21/10/276042110.db2.gz PLPJATFJUPJSBM-UHFFFAOYSA-N -1 3 308.302 0.878 20 5 DCBDHM CNc1c(C(=O)NCCc2c(C)[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC000545908590 288005775 /nfs/dbraw/zinc/00/57/75/288005775.db2.gz OQRTVXWSYXRUAJ-SECBINFHSA-N -1 3 319.321 0.878 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000546027532 288013232 /nfs/dbraw/zinc/01/32/32/288013232.db2.gz RJSRFBYTZAHCHQ-SECBINFHSA-N -1 3 313.335 0.412 20 5 DCBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O ZINC000160069192 524025658 /nfs/dbraw/zinc/02/56/58/524025658.db2.gz MTFKLBJLEJPHKB-SECBINFHSA-N -1 3 313.335 0.494 20 5 DCBDHM CN(CCO)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821602649 607302362 /nfs/dbraw/zinc/30/23/62/607302362.db2.gz MOXZBPLQVFVSSJ-UHFFFAOYSA-N -1 3 315.293 0.752 20 5 DCBDHM CN(CCO)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821602649 607302363 /nfs/dbraw/zinc/30/23/63/607302363.db2.gz MOXZBPLQVFVSSJ-UHFFFAOYSA-N -1 3 315.293 0.752 20 5 DCBDHM C[S@@](=O)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737174664 598628076 /nfs/dbraw/zinc/62/80/76/598628076.db2.gz XJRRXJRHUCXUOU-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM C[S@@](=O)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737174664 598628078 /nfs/dbraw/zinc/62/80/78/598628078.db2.gz XJRRXJRHUCXUOU-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM COCC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736977636 598682089 /nfs/dbraw/zinc/68/20/89/598682089.db2.gz ZFBXDWIXACLBIB-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736977636 598682090 /nfs/dbraw/zinc/68/20/90/598682090.db2.gz ZFBXDWIXACLBIB-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821630332 607468247 /nfs/dbraw/zinc/46/82/47/607468247.db2.gz USDRTLUPVKZVJY-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821630332 607468249 /nfs/dbraw/zinc/46/82/49/607468249.db2.gz USDRTLUPVKZVJY-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM C[C@H]1C[C@H](CNC(=O)[O-])CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000833835400 605654215 /nfs/dbraw/zinc/65/42/15/605654215.db2.gz YTCRMKJHODKJCD-WDEREUQCSA-N -1 3 324.337 0.735 20 5 DCBDHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000833835397 605654384 /nfs/dbraw/zinc/65/43/84/605654384.db2.gz YTCRMKJHODKJCD-GHMZBOCLSA-N -1 3 324.337 0.735 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@@H]2CC[S@@](=O)C2)c(-c2nnn[n-]2)c1 ZINC000823650801 606789365 /nfs/dbraw/zinc/78/93/65/606789365.db2.gz AWKXQEBRSXBFRC-NBIFTCQSSA-N -1 3 309.311 0.103 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@@H]2CC[S@@](=O)C2)c(-c2nn[n-]n2)c1 ZINC000823650801 606789367 /nfs/dbraw/zinc/78/93/67/606789367.db2.gz AWKXQEBRSXBFRC-NBIFTCQSSA-N -1 3 309.311 0.103 20 5 DCBDHM Cc1c(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1C ZINC000822128263 606809534 /nfs/dbraw/zinc/80/95/34/606809534.db2.gz AFPVEGRYFUZEKH-UHFFFAOYSA-N -1 3 301.270 0.955 20 5 DCBDHM Cc1c(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cnn1C ZINC000822128263 606809536 /nfs/dbraw/zinc/80/95/36/606809536.db2.gz AFPVEGRYFUZEKH-UHFFFAOYSA-N -1 3 301.270 0.955 20 5 DCBDHM C[C@H]1CO[C@H](CO)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820804674 607028851 /nfs/dbraw/zinc/02/88/51/607028851.db2.gz XIDSKANCIRDCFX-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CO[C@H](CO)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820804674 607028853 /nfs/dbraw/zinc/02/88/53/607028853.db2.gz XIDSKANCIRDCFX-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM Cc1nn(C)c(C(=O)OCc2cc(=O)c([O-])co2)c1[N+](=O)[O-] ZINC000736795340 665430195 /nfs/dbraw/zinc/43/01/95/665430195.db2.gz HYYHXMFCAQSJER-UHFFFAOYSA-N -1 3 309.234 0.653 20 5 DCBDHM C[S@@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000735080574 666948044 /nfs/dbraw/zinc/94/80/44/666948044.db2.gz NNOIACYIUQEOJT-GOSISDBHSA-N -1 3 310.328 0.391 20 5 DCBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)cs1 ZINC000758235494 668162864 /nfs/dbraw/zinc/16/28/64/668162864.db2.gz RBAAVLMWRXGIBA-YFKPBYRVSA-N -1 3 316.307 0.951 20 5 DCBDHM C[C@@H](O)[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000839798809 668515490 /nfs/dbraw/zinc/51/54/90/668515490.db2.gz QYYFFJKTDSSZRG-GMSGAONNSA-N -1 3 304.249 0.545 20 5 DCBDHM O=C(Nc1cccc([N+](=O)[O-])c1Cl)NN1CC(=O)[N-]C1=O ZINC000809917213 670467854 /nfs/dbraw/zinc/46/78/54/670467854.db2.gz CENKWYPNXAJCBN-UHFFFAOYSA-N -1 3 313.657 0.837 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001585163765 1166408514 /nfs/dbraw/zinc/40/85/14/1166408514.db2.gz RHYSKAYDMHANNF-LLVKDONJSA-N -1 3 322.296 0.905 20 5 DCBDHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(N)c([N+](=O)[O-])c1 ZINC001585937631 1166470281 /nfs/dbraw/zinc/47/02/81/1166470281.db2.gz NACQCIXCWHYSBQ-VIFPVBQESA-N -1 3 319.321 0.727 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1=O ZINC001590316497 1166861400 /nfs/dbraw/zinc/86/14/00/1166861400.db2.gz NBUXHIUHBCOYRW-SSDOTTSWSA-N -1 3 303.282 0.585 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1=O ZINC001590316497 1166861404 /nfs/dbraw/zinc/86/14/04/1166861404.db2.gz NBUXHIUHBCOYRW-SSDOTTSWSA-N -1 3 303.282 0.585 20 5 DCBDHM CCOC(=O)CCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590762866 1167011109 /nfs/dbraw/zinc/01/11/09/1167011109.db2.gz VSQNNTKKWDZHIA-UHFFFAOYSA-N -1 3 321.297 0.925 20 5 DCBDHM CCOC(=O)CCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590762866 1167011117 /nfs/dbraw/zinc/01/11/17/1167011117.db2.gz VSQNNTKKWDZHIA-UHFFFAOYSA-N -1 3 321.297 0.925 20 5 DCBDHM CCc1nnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[nH]1 ZINC001590913689 1167048921 /nfs/dbraw/zinc/04/89/21/1167048921.db2.gz DQKHNAKAAFXJAE-UHFFFAOYSA-N -1 3 316.285 0.463 20 5 DCBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC001591126176 1167111061 /nfs/dbraw/zinc/11/10/61/1167111061.db2.gz QANUHQFCRFUYHZ-UHFFFAOYSA-N -1 3 319.325 0.471 20 5 DCBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC001591126176 1167111065 /nfs/dbraw/zinc/11/10/65/1167111065.db2.gz QANUHQFCRFUYHZ-UHFFFAOYSA-N -1 3 319.325 0.471 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591204240 1167153530 /nfs/dbraw/zinc/15/35/30/1167153530.db2.gz MCAOFDITGKILOZ-ZCFIWIBFSA-N -1 3 323.288 0.851 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591204240 1167153532 /nfs/dbraw/zinc/15/35/32/1167153532.db2.gz MCAOFDITGKILOZ-ZCFIWIBFSA-N -1 3 323.288 0.851 20 5 DCBDHM CO[C@](C)(CO)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591318491 1167213327 /nfs/dbraw/zinc/21/33/27/1167213327.db2.gz BUTWRCJPPVEULP-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@](C)(CO)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591318491 1167213332 /nfs/dbraw/zinc/21/33/32/1167213332.db2.gz BUTWRCJPPVEULP-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM COC(OC)[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591334004 1167221218 /nfs/dbraw/zinc/22/12/18/1167221218.db2.gz LNLKAGANYDLAJF-ZCFIWIBFSA-N -1 3 323.313 0.776 20 5 DCBDHM COC(OC)[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591334004 1167221225 /nfs/dbraw/zinc/22/12/25/1167221225.db2.gz LNLKAGANYDLAJF-ZCFIWIBFSA-N -1 3 323.313 0.776 20 5 DCBDHM Cc1cc(NC[C@H](O)[C@H](C)O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042072 1167443159 /nfs/dbraw/zinc/44/31/59/1167443159.db2.gz WUNGYANWWMPJRU-CPCISQLKSA-N -1 3 308.298 0.237 20 5 DCBDHM Cc1cc(NC[C@H](O)[C@H](C)O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042072 1167443163 /nfs/dbraw/zinc/44/31/63/1167443163.db2.gz WUNGYANWWMPJRU-CPCISQLKSA-N -1 3 308.298 0.237 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H](O)C2CCC2)c1-c1nnn[n-]1 ZINC001592758037 1167635832 /nfs/dbraw/zinc/63/58/32/1167635832.db2.gz QLSWDQYPWRFTAP-SNVBAGLBSA-N -1 3 319.325 0.930 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H](O)C2CCC2)c1-c1nn[n-]n1 ZINC001592758037 1167635837 /nfs/dbraw/zinc/63/58/37/1167635837.db2.gz QLSWDQYPWRFTAP-SNVBAGLBSA-N -1 3 319.325 0.930 20 5 DCBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001593092324 1167706595 /nfs/dbraw/zinc/70/65/95/1167706595.db2.gz BRYJBMHFRMXMIG-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001593092324 1167706600 /nfs/dbraw/zinc/70/66/00/1167706600.db2.gz BRYJBMHFRMXMIG-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(-c2nnn[n-]2)cs1 ZINC001593212776 1167738885 /nfs/dbraw/zinc/73/88/85/1167738885.db2.gz PZADFSHCDQEXLN-UHFFFAOYSA-N -1 3 306.267 0.812 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(-c2nn[n-]n2)cs1 ZINC001593212776 1167738892 /nfs/dbraw/zinc/73/88/92/1167738892.db2.gz PZADFSHCDQEXLN-UHFFFAOYSA-N -1 3 306.267 0.812 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593406972 1167816189 /nfs/dbraw/zinc/81/61/89/1167816189.db2.gz AWMVCLFIWJAQNB-SECBINFHSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593406972 1167816204 /nfs/dbraw/zinc/81/62/04/1167816204.db2.gz AWMVCLFIWJAQNB-SECBINFHSA-N -1 3 317.309 0.713 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCn2ccnc21 ZINC001593466687 1167857202 /nfs/dbraw/zinc/85/72/02/1167857202.db2.gz DMNXQVBUCBSQJL-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCn2ccnc21 ZINC001593466687 1167857209 /nfs/dbraw/zinc/85/72/09/1167857209.db2.gz DMNXQVBUCBSQJL-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCn2ccnc21 ZINC001593470093 1167858514 /nfs/dbraw/zinc/85/85/14/1167858514.db2.gz FCKHBKGVGJMMIB-MRVPVSSYSA-N -1 3 313.281 0.923 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCn2ccnc21 ZINC001593470093 1167858518 /nfs/dbraw/zinc/85/85/18/1167858518.db2.gz FCKHBKGVGJMMIB-MRVPVSSYSA-N -1 3 313.281 0.923 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@H]2COCCO2)c(-c2nnn[n-]2)c1 ZINC001593478076 1167864835 /nfs/dbraw/zinc/86/48/35/1167864835.db2.gz QFIDCTNFMOTBHH-SECBINFHSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@H]2COCCO2)c(-c2nn[n-]n2)c1 ZINC001593478076 1167864846 /nfs/dbraw/zinc/86/48/46/1167864846.db2.gz QFIDCTNFMOTBHH-SECBINFHSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1cn(Cc2ncc(-c3nnn[n-]3)cn2)nc1C1CC1 ZINC001593485833 1167865897 /nfs/dbraw/zinc/86/58/97/1167865897.db2.gz GXRYIICHFCXXID-UHFFFAOYSA-N -1 3 313.281 0.687 20 5 DCBDHM O=[N+]([O-])c1cn(Cc2ncc(-c3nn[n-]n3)cn2)nc1C1CC1 ZINC001593485833 1167865905 /nfs/dbraw/zinc/86/59/05/1167865905.db2.gz GXRYIICHFCXXID-UHFFFAOYSA-N -1 3 313.281 0.687 20 5 DCBDHM O=c1scnn1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593498481 1167882723 /nfs/dbraw/zinc/88/27/23/1167882723.db2.gz PAEOWADHNQHFHR-UHFFFAOYSA-N -1 3 305.279 0.441 20 5 DCBDHM O=c1scnn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593498481 1167882725 /nfs/dbraw/zinc/88/27/25/1167882725.db2.gz PAEOWADHNQHFHR-UHFFFAOYSA-N -1 3 305.279 0.441 20 5 DCBDHM CC1(C)CNC(=O)[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603789991 1169393028 /nfs/dbraw/zinc/39/30/28/1169393028.db2.gz WWBHDKRUSFTYTR-SNVBAGLBSA-N -1 3 317.309 0.711 20 5 DCBDHM CC1(C)CNC(=O)[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603789991 1169393039 /nfs/dbraw/zinc/39/30/39/1169393039.db2.gz WWBHDKRUSFTYTR-SNVBAGLBSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCC1=O ZINC001603937708 1169442870 /nfs/dbraw/zinc/44/28/70/1169442870.db2.gz ACWKXEZDFMOJNA-SSDOTTSWSA-N -1 3 317.309 0.772 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCC1=O ZINC001603937708 1169442875 /nfs/dbraw/zinc/44/28/75/1169442875.db2.gz ACWKXEZDFMOJNA-SSDOTTSWSA-N -1 3 317.309 0.772 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1O ZINC001603940207 1169446695 /nfs/dbraw/zinc/44/66/95/1169446695.db2.gz RHNUIKLPVZSADH-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@H]1O ZINC001603940207 1169446699 /nfs/dbraw/zinc/44/66/99/1169446699.db2.gz RHNUIKLPVZSADH-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001604093352 1169489831 /nfs/dbraw/zinc/48/98/31/1169489831.db2.gz AEIZHMCZDWFKBD-ZDUSSCGKSA-N -1 3 319.325 0.708 20 5 DCBDHM CC[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001604093352 1169489836 /nfs/dbraw/zinc/48/98/36/1169489836.db2.gz AEIZHMCZDWFKBD-ZDUSSCGKSA-N -1 3 319.325 0.708 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H]1O ZINC001604112723 1169496427 /nfs/dbraw/zinc/49/64/27/1169496427.db2.gz ZDNXYTDIBYMNCJ-OIBJUYFYSA-N -1 3 319.325 0.564 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H]1O ZINC001604112723 1169496432 /nfs/dbraw/zinc/49/64/32/1169496432.db2.gz ZDNXYTDIBYMNCJ-OIBJUYFYSA-N -1 3 319.325 0.564 20 5 DCBDHM CCN(C)C(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604268938 1169539273 /nfs/dbraw/zinc/53/92/73/1169539273.db2.gz XGOFBJZLYIZNLD-UHFFFAOYSA-N -1 3 320.313 0.247 20 5 DCBDHM CCN(C)C(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604268938 1169539280 /nfs/dbraw/zinc/53/92/80/1169539280.db2.gz XGOFBJZLYIZNLD-UHFFFAOYSA-N -1 3 320.313 0.247 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604716364 1169662691 /nfs/dbraw/zinc/66/26/91/1169662691.db2.gz AZDGEXJMLPGCSY-JTQLQIEISA-N -1 3 305.298 0.377 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604716364 1169662693 /nfs/dbraw/zinc/66/26/93/1169662693.db2.gz AZDGEXJMLPGCSY-JTQLQIEISA-N -1 3 305.298 0.377 20 5 DCBDHM CNC(=O)CCSc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604879876 1169726474 /nfs/dbraw/zinc/72/64/74/1169726474.db2.gz LUQWSEMRSBUVNQ-UHFFFAOYSA-N -1 3 309.311 0.398 20 5 DCBDHM CNC(=O)CCSc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604879876 1169726479 /nfs/dbraw/zinc/72/64/79/1169726479.db2.gz LUQWSEMRSBUVNQ-UHFFFAOYSA-N -1 3 309.311 0.398 20 5 DCBDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001605551961 1169957350 /nfs/dbraw/zinc/95/73/50/1169957350.db2.gz KBFXDSXSUGGZMQ-UHFFFAOYSA-N -1 3 315.253 0.454 20 5 DCBDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001605551961 1169957356 /nfs/dbraw/zinc/95/73/56/1169957356.db2.gz KBFXDSXSUGGZMQ-UHFFFAOYSA-N -1 3 315.253 0.454 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCn2nccc2C1 ZINC001607082742 1170385159 /nfs/dbraw/zinc/38/51/59/1170385159.db2.gz RAAZPOCEAASVTD-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCn2nccc2C1 ZINC001607082742 1170385164 /nfs/dbraw/zinc/38/51/64/1170385164.db2.gz RAAZPOCEAASVTD-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OCCO ZINC001609084073 1170801791 /nfs/dbraw/zinc/80/17/91/1170801791.db2.gz FZWPHKLCPUJEOB-UHFFFAOYSA-N -1 3 322.325 0.974 20 5 DCBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OCCO ZINC001609084073 1170801798 /nfs/dbraw/zinc/80/17/98/1170801798.db2.gz FZWPHKLCPUJEOB-UHFFFAOYSA-N -1 3 322.325 0.974 20 5 DCBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCc1c[n-][nH]c1=O ZINC001630631519 1171575885 /nfs/dbraw/zinc/57/58/85/1171575885.db2.gz KWSKJIXRMBHUFM-JTQLQIEISA-N -1 3 322.296 0.905 20 5 DCBDHM COC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001640535862 1171883581 /nfs/dbraw/zinc/88/35/81/1171883581.db2.gz LWKWMDVPUKQASK-IUCAKERBSA-N -1 3 311.294 0.933 20 5 DCBDHM COc1c([O-])ccc(CN2CCO[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC001660011360 1173937825 /nfs/dbraw/zinc/93/78/25/1173937825.db2.gz PMTKNEFIFZNGIL-SKDRFNHKSA-N -1 3 312.322 0.891 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)c(F)cc1[N+](=O)[O-] ZINC001662631936 1174226516 /nfs/dbraw/zinc/22/65/16/1174226516.db2.gz DQNYCOLTBJPHGP-ZETCQYMHSA-N -1 3 317.298 0.209 20 5 DCBDHM CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001663768805 1174350711 /nfs/dbraw/zinc/35/07/11/1174350711.db2.gz JGAJEZGQQAGMCO-RKDXNWHRSA-N -1 3 303.340 0.818 20 5 DCBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC001664171648 1174404906 /nfs/dbraw/zinc/40/49/06/1174404906.db2.gz FGQSITOLGWPQTK-LURJTMIESA-N -1 3 320.710 0.842 20 5 DCBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1COCC[C@H]1O ZINC001665666465 1174548640 /nfs/dbraw/zinc/54/86/40/1174548640.db2.gz SFWFFLFEBHKMLA-ZYHUDNBSSA-N -1 3 316.335 0.164 20 5 DCBDHM C[C@H]1C(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)N1C ZINC001167406226 747164427 /nfs/dbraw/zinc/16/44/27/747164427.db2.gz 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CCn1nccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093568075 768627321 /nfs/dbraw/zinc/62/73/21/768627321.db2.gz QGGKTJDQTDNZFO-UHFFFAOYSA-N -1 3 320.309 0.754 20 5 DCBDHM Cc1ccnc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001093592869 768644024 /nfs/dbraw/zinc/64/40/24/768644024.db2.gz VPNZLELWHSXZNY-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM CN(CCNC(=O)c1ccc[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099929896 768739258 /nfs/dbraw/zinc/73/92/58/768739258.db2.gz QGIPVSIMGKHRPJ-UHFFFAOYSA-N -1 3 305.294 0.890 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1csnn1 ZINC001094013264 768811676 /nfs/dbraw/zinc/81/16/76/768811676.db2.gz DJABJGNVJIYOFP-UHFFFAOYSA-N -1 3 310.295 0.389 20 5 DCBDHM O=C(Cn1cccn1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094310117 768962761 /nfs/dbraw/zinc/96/27/61/768962761.db2.gz FRJQYVABZMMPRB-UHFFFAOYSA-N -1 3 320.309 0.510 20 5 DCBDHM Cn1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])nn1 ZINC001094392068 769026674 /nfs/dbraw/zinc/02/66/74/769026674.db2.gz 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O=C1OC[C@]2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])COCCN12 ZINC001472857774 1016864615 /nfs/dbraw/zinc/86/46/15/1016864615.db2.gz HNQBXJPJJUPNLG-LBPRGKRZSA-N -1 3 310.266 0.329 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)n1 ZINC001443448501 1010413591 /nfs/dbraw/zinc/41/35/91/1010413591.db2.gz IHCMMSGSFSHHGR-MRVPVSSYSA-N -1 3 308.298 0.053 20 5 DCBDHM COc1cccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001475396231 1017104936 /nfs/dbraw/zinc/10/49/36/1017104936.db2.gz NRUYZILFUPJYCK-UHFFFAOYSA-N -1 3 324.318 0.872 20 5 DCBDHM Cn1ccc(=O)n(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1=O ZINC001559217024 1012410921 /nfs/dbraw/zinc/41/09/21/1012410921.db2.gz VQBOBRBWEIQPEX-UHFFFAOYSA-N -1 3 321.293 0.058 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542941955 1012495042 /nfs/dbraw/zinc/49/50/42/1012495042.db2.gz LGPRWNHGTNGNFM-SECBINFHSA-N -1 3 305.294 0.419 20 5 DCBDHM CON1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000420750181 240055480 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DCBDHM COC(=O)c1cnc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000276839767 396031797 /nfs/dbraw/zinc/03/17/97/396031797.db2.gz WFSZDDWVZFTFOG-SSDOTTSWSA-N -1 3 321.297 0.529 20 5 DCBDHM CN1CC[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000277988679 396099213 /nfs/dbraw/zinc/09/92/13/396099213.db2.gz GQEUXPVHFNQHSL-JOYOIKCWSA-N -1 3 306.322 0.862 20 5 DCBDHM CN1CC[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000277988674 396099378 /nfs/dbraw/zinc/09/93/78/396099378.db2.gz GQEUXPVHFNQHSL-CABZTGNLSA-N -1 3 306.322 0.862 20 5 DCBDHM CCc1nc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000278045196 396102633 /nfs/dbraw/zinc/10/26/33/396102633.db2.gz LKASXFLTUFLMCC-ZCFIWIBFSA-N -1 3 306.282 0.867 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)N(C)C)c1C ZINC000178280848 396192671 /nfs/dbraw/zinc/19/26/71/396192671.db2.gz RSYSFLLHHPSZEO-UHFFFAOYSA-N -1 3 315.351 0.578 20 5 DCBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000184299269 396290084 /nfs/dbraw/zinc/29/00/84/396290084.db2.gz BMVGOWDCDPWIQI-UHFFFAOYSA-N -1 3 310.278 0.809 20 5 DCBDHM O=C(N[C@@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000588867315 396697116 /nfs/dbraw/zinc/69/71/16/396697116.db2.gz OTIQKLFXWGRIQR-SNVBAGLBSA-N -1 3 309.322 0.487 20 5 DCBDHM O=c1[n-]ccc(N2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596053639 396712266 /nfs/dbraw/zinc/71/22/66/396712266.db2.gz OVVYYEYYKZZPEB-LLVKDONJSA-N -1 3 308.338 0.996 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000599477127 397452359 /nfs/dbraw/zinc/45/23/59/397452359.db2.gz DAFTZOFOXRNVMO-AOOOYVTPSA-N -1 3 300.336 0.952 20 5 DCBDHM CCN1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610249775 397808364 /nfs/dbraw/zinc/80/83/64/397808364.db2.gz YBDKBQJSBZSBBG-UHFFFAOYSA-N -1 3 314.367 0.752 20 5 DCBDHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N(C)C1CC1 ZINC000610262584 397810825 /nfs/dbraw/zinc/81/08/25/397810825.db2.gz KRLOEWIYFIJDFO-VIFPVBQESA-N -1 3 314.367 0.751 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000360475207 159270056 /nfs/dbraw/zinc/27/00/56/159270056.db2.gz SMWVGESVTRQVNG-ZETCQYMHSA-N -1 3 317.323 0.146 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000342514831 287154161 /nfs/dbraw/zinc/15/41/61/287154161.db2.gz HZTNXPVRNLXLEX-NSHDSACASA-N -1 3 308.269 0.470 20 5 DCBDHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000359982055 287216268 /nfs/dbraw/zinc/21/62/68/287216268.db2.gz UFJMHEQTHBCQAS-SNVBAGLBSA-N -1 3 318.351 0.579 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000342506556 415195120 /nfs/dbraw/zinc/19/51/20/415195120.db2.gz KDAOHENTFFWCPG-RXMQYKEDSA-N -1 3 307.353 0.507 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000332669223 415430376 /nfs/dbraw/zinc/43/03/76/415430376.db2.gz ZEOCJWUHOKTAEX-NSHDSACASA-N -1 3 308.269 0.470 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343470649 415609543 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Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CC(N)=O)c1[N+](=O)[O-] ZINC000360257511 416382456 /nfs/dbraw/zinc/38/24/56/416382456.db2.gz KWVYBGNMCAMHLG-SECBINFHSA-N -1 3 315.351 0.754 20 5 DCBDHM CNc1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000533186808 416482117 /nfs/dbraw/zinc/48/21/17/416482117.db2.gz VUHJOAQVCBJBKT-UHFFFAOYSA-N -1 3 324.337 0.725 20 5 DCBDHM CNc1nc(C(=O)[N-]c2nc3n(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000457125880 417692154 /nfs/dbraw/zinc/69/21/54/417692154.db2.gz QPWPAZLQBWBWGC-UHFFFAOYSA-N -1 3 317.309 1.212 20 5 DCBDHM CC(=O)NCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046034050 278102248 /nfs/dbraw/zinc/10/22/48/278102248.db2.gz XFRVBCBQORDTCF-UHFFFAOYSA-N -1 3 315.351 0.708 20 5 DCBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000549216747 288194914 /nfs/dbraw/zinc/19/49/14/288194914.db2.gz AIABASXYCIKXBU-UHFFFAOYSA-N -1 3 314.265 0.674 20 5 DCBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000549216747 288194915 /nfs/dbraw/zinc/19/49/15/288194915.db2.gz AIABASXYCIKXBU-UHFFFAOYSA-N -1 3 314.265 0.674 20 5 DCBDHM COC[C@H](CCO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000230194602 293100704 /nfs/dbraw/zinc/10/07/04/293100704.db2.gz FCXWSNRHDJKEJR-JTQLQIEISA-N -1 3 318.351 0.579 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189799378 519667846 /nfs/dbraw/zinc/66/78/46/519667846.db2.gz DXBHKUGTKUNQKT-UHFFFAOYSA-N -1 3 315.351 0.626 20 5 DCBDHM CN(C)C(=O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129649406 523993802 /nfs/dbraw/zinc/99/38/02/523993802.db2.gz CKGADVFEFGETQH-UHFFFAOYSA-N -1 3 301.324 0.102 20 5 DCBDHM COC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736976408 598855221 /nfs/dbraw/zinc/85/52/21/598855221.db2.gz LACMXPLCKDYVKP-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM COC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736976408 598855223 /nfs/dbraw/zinc/85/52/23/598855223.db2.gz LACMXPLCKDYVKP-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM CN1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC000736866475 598971371 /nfs/dbraw/zinc/97/13/71/598971371.db2.gz GSMRRIFHUKQLEN-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC000736866475 598971372 /nfs/dbraw/zinc/97/13/72/598971372.db2.gz GSMRRIFHUKQLEN-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM COC(=O)N1CC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821665114 607307372 /nfs/dbraw/zinc/30/73/72/607307372.db2.gz WHGYUHKUSNJQRJ-UHFFFAOYSA-N -1 3 320.269 0.032 20 5 DCBDHM COC(=O)N1CC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821665114 607307373 /nfs/dbraw/zinc/30/73/73/607307373.db2.gz WHGYUHKUSNJQRJ-UHFFFAOYSA-N -1 3 320.269 0.032 20 5 DCBDHM CC(C)OC(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820142583 599318191 /nfs/dbraw/zinc/31/81/91/599318191.db2.gz POFPSDZQVJDQFE-UHFFFAOYSA-N -1 3 321.297 0.924 20 5 DCBDHM CC(C)OC(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820142583 599318193 /nfs/dbraw/zinc/31/81/93/599318193.db2.gz POFPSDZQVJDQFE-UHFFFAOYSA-N -1 3 321.297 0.924 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCc3c[nH]nc3C2)c(-c2nnn[n-]2)c1 ZINC000826500633 607565092 /nfs/dbraw/zinc/56/50/92/607565092.db2.gz GDYYRFKQAATGAD-UHFFFAOYSA-N -1 3 313.281 0.456 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCc3c[nH]nc3C2)c(-c2nn[n-]n2)c1 ZINC000826500633 607565095 /nfs/dbraw/zinc/56/50/95/607565095.db2.gz GDYYRFKQAATGAD-UHFFFAOYSA-N -1 3 313.281 0.456 20 5 DCBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823410213 606234898 /nfs/dbraw/zinc/23/48/98/606234898.db2.gz RXUMNFLRGWQQHS-UHFFFAOYSA-N -1 3 318.253 0.157 20 5 DCBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823410213 606234899 /nfs/dbraw/zinc/23/48/99/606234899.db2.gz RXUMNFLRGWQQHS-UHFFFAOYSA-N -1 3 318.253 0.157 20 5 DCBDHM Cc1n[nH]cc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822419695 606703564 /nfs/dbraw/zinc/70/35/64/606703564.db2.gz SKSPCULIRJIIFP-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(N)=O ZINC000820025874 607225600 /nfs/dbraw/zinc/22/56/00/607225600.db2.gz DXLQCJBUAVKZQT-SNVBAGLBSA-N -1 3 305.298 0.697 20 5 DCBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(N)=O ZINC000820025874 607225601 /nfs/dbraw/zinc/22/56/01/607225601.db2.gz DXLQCJBUAVKZQT-SNVBAGLBSA-N -1 3 305.298 0.697 20 5 DCBDHM CN(C[C@H]1CCC[C@@H]1O)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825908322 607851814 /nfs/dbraw/zinc/85/18/14/607851814.db2.gz GRILUPHVRZKBSF-KCJUWKMLSA-N -1 3 319.325 0.767 20 5 DCBDHM CN(C[C@H]1CCC[C@@H]1O)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825908322 607851815 /nfs/dbraw/zinc/85/18/15/607851815.db2.gz GRILUPHVRZKBSF-KCJUWKMLSA-N -1 3 319.325 0.767 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCCOCCO)c(-c2nnn[n-]2)c1 ZINC000826498907 609581205 /nfs/dbraw/zinc/58/12/05/609581205.db2.gz NZFWWEJMPUDACR-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCCOCCO)c(-c2nn[n-]n2)c1 ZINC000826498907 609581207 /nfs/dbraw/zinc/58/12/07/609581207.db2.gz NZFWWEJMPUDACR-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM COc1c([O-])ccc(CN2CC(=O)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893884528 661416701 /nfs/dbraw/zinc/41/67/01/661416701.db2.gz DKYPJSCADDNWSC-SECBINFHSA-N -1 3 309.322 0.972 20 5 DCBDHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845871928 672280045 /nfs/dbraw/zinc/28/00/45/672280045.db2.gz XIRJLFRDDBJTGL-SNVBAGLBSA-N -1 3 303.340 0.675 20 5 DCBDHM CC(C)[C@@H](O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589480622 1166661806 /nfs/dbraw/zinc/66/18/06/1166661806.db2.gz QSGMUFRIVAXNJW-JTQLQIEISA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)[C@@H](O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589480622 1166661810 /nfs/dbraw/zinc/66/18/10/1166661810.db2.gz QSGMUFRIVAXNJW-JTQLQIEISA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)C1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589495294 1166662946 /nfs/dbraw/zinc/66/29/46/1166662946.db2.gz WHHKHLOTGBYDAZ-UHFFFAOYSA-N -1 3 318.337 0.978 20 5 DCBDHM CC(C)C1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589495294 1166662950 /nfs/dbraw/zinc/66/29/50/1166662950.db2.gz WHHKHLOTGBYDAZ-UHFFFAOYSA-N -1 3 318.337 0.978 20 5 DCBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001590276123 1166836850 /nfs/dbraw/zinc/83/68/50/1166836850.db2.gz JLKOGHHGDNDRPH-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001590276123 1166836856 /nfs/dbraw/zinc/83/68/56/1166836856.db2.gz JLKOGHHGDNDRPH-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(CCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001590306815 1166851980 /nfs/dbraw/zinc/85/19/80/1166851980.db2.gz APYWDAPHVVUKJS-DTORHVGOSA-N -1 3 322.329 0.081 20 5 DCBDHM CN1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1=O ZINC001591172946 1167127527 /nfs/dbraw/zinc/12/75/27/1167127527.db2.gz TVQQDCHTAQLPPU-QMMMGPOBSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1=O ZINC001591172946 1167127549 /nfs/dbraw/zinc/12/75/49/1167127549.db2.gz TVQQDCHTAQLPPU-QMMMGPOBSA-N -1 3 318.297 0.203 20 5 DCBDHM CNC(=O)CCCN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591207233 1167154924 /nfs/dbraw/zinc/15/49/24/1167154924.db2.gz WYTJQHSLNCWCSR-UHFFFAOYSA-N -1 3 320.313 0.132 20 5 DCBDHM CNC(=O)CCCN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591207233 1167154928 /nfs/dbraw/zinc/15/49/28/1167154928.db2.gz WYTJQHSLNCWCSR-UHFFFAOYSA-N -1 3 320.313 0.132 20 5 DCBDHM CON(C)C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591462652 1167296166 /nfs/dbraw/zinc/29/61/66/1167296166.db2.gz KUUYLEVVXOGPDC-UHFFFAOYSA-N -1 3 307.270 0.207 20 5 DCBDHM CON(C)C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591462652 1167296169 /nfs/dbraw/zinc/29/61/69/1167296169.db2.gz KUUYLEVVXOGPDC-UHFFFAOYSA-N -1 3 307.270 0.207 20 5 DCBDHM C[S@](=O)CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591683719 1167354603 /nfs/dbraw/zinc/35/46/03/1167354603.db2.gz GWBBHMWVPZEKBK-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM Cc1cc(N2CC(=O)N(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591997726 1167430621 /nfs/dbraw/zinc/43/06/21/1167430621.db2.gz CJRMWWZOQLKKNI-UHFFFAOYSA-N -1 3 303.282 0.319 20 5 DCBDHM Cc1cc(N2CC(=O)N(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591997726 1167430634 /nfs/dbraw/zinc/43/06/34/1167430634.db2.gz CJRMWWZOQLKKNI-UHFFFAOYSA-N -1 3 303.282 0.319 20 5 DCBDHM Cc1nc(-c2nnn[n-]2)n(Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC001592340622 1167494985 /nfs/dbraw/zinc/49/49/85/1167494985.db2.gz YRXVJKOQBKWVSI-UHFFFAOYSA-N -1 3 303.286 0.370 20 5 DCBDHM Cc1nn(C)c(NCc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC001592432754 1167520919 /nfs/dbraw/zinc/52/09/19/1167520919.db2.gz IMRNIJYWBXWFLG-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1nn(C)c(NCc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC001592432754 1167520924 /nfs/dbraw/zinc/52/09/24/1167520924.db2.gz IMRNIJYWBXWFLG-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC001592589292 1167573399 /nfs/dbraw/zinc/57/33/99/1167573399.db2.gz YZUKZMJXPDNMSA-UHFFFAOYSA-N -1 3 320.294 0.822 20 5 DCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Cn1ccnc1[N+](=O)[O-] ZINC001592910784 1167662023 /nfs/dbraw/zinc/66/20/23/1167662023.db2.gz VFOCKWBVZQCUBQ-UHFFFAOYSA-N -1 3 313.277 0.783 20 5 DCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Cn1ccnc1[N+](=O)[O-] ZINC001592910784 1167662025 /nfs/dbraw/zinc/66/20/25/1167662025.db2.gz VFOCKWBVZQCUBQ-UHFFFAOYSA-N -1 3 313.277 0.783 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C2(CC2)C1 ZINC001593468591 1167856858 /nfs/dbraw/zinc/85/68/58/1167856858.db2.gz PKWKJTNPGZZXMO-LLVKDONJSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C2(CC2)C1 ZINC001593468591 1167856868 /nfs/dbraw/zinc/85/68/68/1167856868.db2.gz PKWKJTNPGZZXMO-LLVKDONJSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593469258 1167857181 /nfs/dbraw/zinc/85/71/81/1167857181.db2.gz WIGGQRCZOCBCQD-WPPNPWJKSA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593469258 1167857185 /nfs/dbraw/zinc/85/71/85/1167857185.db2.gz WIGGQRCZOCBCQD-WPPNPWJKSA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCO[C@@H]1CCOC1 ZINC001593472203 1167863517 /nfs/dbraw/zinc/86/35/17/1167863517.db2.gz ZLJMSCLBJJNRKM-SNVBAGLBSA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCO[C@@H]1CCOC1 ZINC001593472203 1167863525 /nfs/dbraw/zinc/86/35/25/1167863525.db2.gz ZLJMSCLBJJNRKM-SNVBAGLBSA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(NCCCn2cncn2)ccc1-c1nnn[n-]1 ZINC001593473506 1167864343 /nfs/dbraw/zinc/86/43/43/1167864343.db2.gz GEJWXUHRJACRJU-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCn1cncn1 ZINC001593483535 1167867779 /nfs/dbraw/zinc/86/77/79/1167867779.db2.gz UEGFLSQIYNRNPP-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCn1cncn1 ZINC001593483535 1167867798 /nfs/dbraw/zinc/86/77/98/1167867798.db2.gz UEGFLSQIYNRNPP-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnc(NC2CC(CCO)C2)c(-c2nnn[n-]2)c1 ZINC001593485793 1167867852 /nfs/dbraw/zinc/86/78/52/1167867852.db2.gz GGPQBRLDYOPQAJ-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC2CC(CCO)C2)c(-c2nn[n-]n2)c1 ZINC001593485793 1167867856 /nfs/dbraw/zinc/86/78/56/1167867856.db2.gz GGPQBRLDYOPQAJ-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCn2cnnc2)c(-c2nnn[n-]2)c1 ZINC001593478353 1167867971 /nfs/dbraw/zinc/86/79/71/1167867971.db2.gz CKGHIMZMHFQOIR-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCn2cnnc2)c(-c2nn[n-]n2)c1 ZINC001593478353 1167867986 /nfs/dbraw/zinc/86/79/86/1167867986.db2.gz CKGHIMZMHFQOIR-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC001593481592 1167869087 /nfs/dbraw/zinc/86/90/87/1167869087.db2.gz HXQBNCFWBDHQHO-ZYHUDNBSSA-N -1 3 322.300 0.680 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC001593481592 1167869091 /nfs/dbraw/zinc/86/90/91/1167869091.db2.gz HXQBNCFWBDHQHO-ZYHUDNBSSA-N -1 3 322.300 0.680 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593478243 1167869731 /nfs/dbraw/zinc/86/97/31/1167869731.db2.gz RTSFUUGWKQXWBB-BPTDKIDVSA-N -1 3 320.309 0.461 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593478243 1167869743 /nfs/dbraw/zinc/86/97/43/1167869743.db2.gz RTSFUUGWKQXWBB-BPTDKIDVSA-N -1 3 320.309 0.461 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H]2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593485014 1167869765 /nfs/dbraw/zinc/86/97/65/1167869765.db2.gz NEAMFUURNBMXJJ-IONNQARKSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H]2CC[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593485014 1167869772 /nfs/dbraw/zinc/86/97/72/1167869772.db2.gz NEAMFUURNBMXJJ-IONNQARKSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593479895 1167869827 /nfs/dbraw/zinc/86/98/27/1167869827.db2.gz BXHYLRYAZKQMNP-UBHAPETDSA-N -1 3 316.321 0.982 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593479895 1167869831 /nfs/dbraw/zinc/86/98/31/1167869831.db2.gz BXHYLRYAZKQMNP-UBHAPETDSA-N -1 3 316.321 0.982 20 5 DCBDHM O=C([O-])Cc1ccc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001602121214 1168998703 /nfs/dbraw/zinc/99/87/03/1168998703.db2.gz VDOVNQCLKAPUJB-LLVKDONJSA-N -1 3 321.333 0.789 20 5 DCBDHM CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCNC1=O ZINC001604332079 1169557440 /nfs/dbraw/zinc/55/74/40/1169557440.db2.gz KXJRBOSGHLEJMV-LLVKDONJSA-N -1 3 317.309 0.490 20 5 DCBDHM CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCNC1=O ZINC001604332079 1169557443 /nfs/dbraw/zinc/55/74/43/1169557443.db2.gz KXJRBOSGHLEJMV-LLVKDONJSA-N -1 3 317.309 0.490 20 5 DCBDHM CCn1ncc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001604620399 1169632005 /nfs/dbraw/zinc/63/20/05/1169632005.db2.gz KQEMWYJLXBGVSW-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ncc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001604620399 1169632008 /nfs/dbraw/zinc/63/20/08/1169632008.db2.gz KQEMWYJLXBGVSW-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM COC(=O)CN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604939271 1169755727 /nfs/dbraw/zinc/75/57/27/1169755727.db2.gz OAKMQLFDKLVCME-UHFFFAOYSA-N -1 3 310.245 0.523 20 5 DCBDHM COC(=O)CN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604939271 1169755732 /nfs/dbraw/zinc/75/57/32/1169755732.db2.gz OAKMQLFDKLVCME-UHFFFAOYSA-N -1 3 310.245 0.523 20 5 DCBDHM CO[C@@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001605038541 1169791179 /nfs/dbraw/zinc/79/11/79/1169791179.db2.gz YIPSVUASRIYAPU-LBPRGKRZSA-N -1 3 320.309 0.580 20 5 DCBDHM CO[C@@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001605038541 1169791185 /nfs/dbraw/zinc/79/11/85/1169791185.db2.gz YIPSVUASRIYAPU-LBPRGKRZSA-N -1 3 320.309 0.580 20 5 DCBDHM CON(C)C1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605140962 1169842194 /nfs/dbraw/zinc/84/21/94/1169842194.db2.gz KJQOISDVBVEPDM-UHFFFAOYSA-N -1 3 323.288 0.596 20 5 DCBDHM CON(C)C1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605140962 1169842201 /nfs/dbraw/zinc/84/22/01/1169842201.db2.gz KJQOISDVBVEPDM-UHFFFAOYSA-N -1 3 323.288 0.596 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001605446415 1169923367 /nfs/dbraw/zinc/92/33/67/1169923367.db2.gz GMZOBNNZNORWSG-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001605446415 1169923369 /nfs/dbraw/zinc/92/33/69/1169923369.db2.gz GMZOBNNZNORWSG-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN(CCO)C1CC1 ZINC001607078053 1170381543 /nfs/dbraw/zinc/38/15/43/1170381543.db2.gz YZSRSXZLFVCUQR-UHFFFAOYSA-N -1 3 304.310 0.732 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN(CCO)C1CC1 ZINC001607078053 1170381547 /nfs/dbraw/zinc/38/15/47/1170381547.db2.gz YZSRSXZLFVCUQR-UHFFFAOYSA-N -1 3 304.310 0.732 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC[C@]2(O)CCOC2)c(-c2nnn[n-]2)c1 ZINC001607086578 1170383426 /nfs/dbraw/zinc/38/34/26/1170383426.db2.gz OWOISCBLONZSBK-LBPRGKRZSA-N -1 3 321.297 0.123 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC[C@]2(O)CCOC2)c(-c2nn[n-]n2)c1 ZINC001607086578 1170383434 /nfs/dbraw/zinc/38/34/34/1170383434.db2.gz OWOISCBLONZSBK-LBPRGKRZSA-N -1 3 321.297 0.123 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3COC[C@H](C2)O3)c(-c2nnn[n-]2)c1 ZINC001607082495 1170383520 /nfs/dbraw/zinc/38/35/20/1170383520.db2.gz XTBOSSCPRNWAHE-AOOOYVTPSA-N -1 3 318.293 0.379 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3COC[C@H](C2)O3)c(-c2nn[n-]n2)c1 ZINC001607082495 1170383529 /nfs/dbraw/zinc/38/35/29/1170383529.db2.gz XTBOSSCPRNWAHE-AOOOYVTPSA-N -1 3 318.293 0.379 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC[C@H]1O ZINC001607081023 1170384684 /nfs/dbraw/zinc/38/46/84/1170384684.db2.gz YATAOQJASDZGIO-OIBJUYFYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[C@H]1O ZINC001607081023 1170384688 /nfs/dbraw/zinc/38/46/88/1170384688.db2.gz YATAOQJASDZGIO-OIBJUYFYSA-N -1 3 305.298 0.743 20 5 DCBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncn(C)n1 ZINC001609126654 1170817255 /nfs/dbraw/zinc/81/72/55/1170817255.db2.gz DILNGPZZQIIHQV-LURJTMIESA-N -1 3 316.285 0.472 20 5 DCBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncn(C)n1 ZINC001609126654 1170817262 /nfs/dbraw/zinc/81/72/62/1170817262.db2.gz DILNGPZZQIIHQV-LURJTMIESA-N -1 3 316.285 0.472 20 5 DCBDHM COC(=O)N1CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609300174 1170922006 /nfs/dbraw/zinc/92/20/06/1170922006.db2.gz HXLMXOJHEWXAKP-UHFFFAOYSA-N -1 3 319.281 0.637 20 5 DCBDHM COC(=O)N1CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609300174 1170922011 /nfs/dbraw/zinc/92/20/11/1170922011.db2.gz HXLMXOJHEWXAKP-UHFFFAOYSA-N -1 3 319.281 0.637 20 5 DCBDHM COC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609316845 1170932315 /nfs/dbraw/zinc/93/23/15/1170932315.db2.gz PYPNYMRCXIHMTR-CYBMUJFWSA-N -1 3 322.325 0.893 20 5 DCBDHM COC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609316845 1170932319 /nfs/dbraw/zinc/93/23/19/1170932319.db2.gz PYPNYMRCXIHMTR-CYBMUJFWSA-N -1 3 322.325 0.893 20 5 DCBDHM CC1(C(=O)[O-])CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001609811585 1171091473 /nfs/dbraw/zinc/09/14/73/1171091473.db2.gz AZIKJYRZGHDBNP-LLVKDONJSA-N -1 3 310.306 0.741 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001627152997 1171498410 /nfs/dbraw/zinc/49/84/10/1171498410.db2.gz LGLYYBJYDKFMPZ-RYUDHWBXSA-N -1 3 320.305 0.256 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001632758253 1171624388 /nfs/dbraw/zinc/62/43/88/1171624388.db2.gz GFSGGLHZTZIRRU-JTQLQIEISA-N -1 3 322.296 0.905 20 5 DCBDHM COCCO[N-]C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001639998800 1171859840 /nfs/dbraw/zinc/85/98/40/1171859840.db2.gz LREGEKUOMWLSHA-UHFFFAOYSA-N -1 3 318.307 0.306 20 5 DCBDHM COc1c(C(=O)NCCCc2c[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC001642448489 1171946659 /nfs/dbraw/zinc/94/66/59/1171946659.db2.gz KSAYZMWCPYNTLC-VIFPVBQESA-N -1 3 320.305 0.845 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2cccnc2)nc1 ZINC001663104109 1174266351 /nfs/dbraw/zinc/26/63/51/1174266351.db2.gz IYEBLWRGOBZIKZ-LLVKDONJSA-N -1 3 324.318 0.397 20 5 DCBDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001664691815 1174448549 /nfs/dbraw/zinc/44/85/49/1174448549.db2.gz UCXNBHGMHPPJKH-HTQZYQBOSA-N -1 3 322.364 0.657 20 5 DCBDHM CCN(CCNC(=O)c1ccon1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100467322 747114230 /nfs/dbraw/zinc/11/42/30/747114230.db2.gz RQUXUBMEJMCVCK-UHFFFAOYSA-N -1 3 321.293 0.940 20 5 DCBDHM NC(=O)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104424847 747418402 /nfs/dbraw/zinc/41/84/02/747418402.db2.gz BGZVEYSUIPRGJP-UHFFFAOYSA-N -1 3 323.309 0.022 20 5 DCBDHM CCOCC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101271866 764032836 /nfs/dbraw/zinc/03/28/36/764032836.db2.gz MXUYZBVPHBBZKF-UHFFFAOYSA-N -1 3 324.337 0.817 20 5 DCBDHM Cn1cnc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093583487 768638041 /nfs/dbraw/zinc/63/80/41/768638041.db2.gz PJPDIVQQBRDWHL-UHFFFAOYSA-N -1 3 306.282 0.271 20 5 DCBDHM CN(CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001155250676 770449249 /nfs/dbraw/zinc/44/92/49/770449249.db2.gz AFBPDMAWCYHLEM-UHFFFAOYSA-N -1 3 317.729 0.608 20 5 DCBDHM Cc1cnc(-n2c3[n-]c(=O)sc3c(=O)nc2N)cc1[N+](=O)[O-] ZINC001163047536 772450592 /nfs/dbraw/zinc/45/05/92/772450592.db2.gz BOCXDTXODHWEIV-UHFFFAOYSA-N -1 3 320.290 0.984 20 5 DCBDHM NS(=O)(=O)C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001327648920 948584106 /nfs/dbraw/zinc/58/41/06/948584106.db2.gz QTDIZLXDWAMCRR-MRVPVSSYSA-N -1 3 316.339 0.200 20 5 DCBDHM C[C@@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001575866532 949417691 /nfs/dbraw/zinc/41/76/91/949417691.db2.gz GOOFXWRTPXGALA-BDAKNGLRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001575866532 949417704 /nfs/dbraw/zinc/41/77/04/949417704.db2.gz GOOFXWRTPXGALA-BDAKNGLRSA-N -1 3 304.310 0.982 20 5 DCBDHM Cn1nccc1[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001594595243 956078705 /nfs/dbraw/zinc/07/87/05/956078705.db2.gz LSORMOSFEUMODA-OLZOCXBDSA-N -1 3 320.305 0.777 20 5 DCBDHM CC(C)(O)CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC001302246068 960018004 /nfs/dbraw/zinc/01/80/04/960018004.db2.gz WAFVFOMWZIKXIP-NSHDSACASA-N -1 3 323.349 0.875 20 5 DCBDHM COc1c([O-])ccc(CN2C[C@@H](CO)OC[C@H]2C)c1[N+](=O)[O-] ZINC001308572020 960181913 /nfs/dbraw/zinc/18/19/13/960181913.db2.gz WKYNLYJBDBJCDZ-KOLCDFICSA-N -1 3 312.322 0.891 20 5 DCBDHM COCCCN(C)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001526368230 1015260359 /nfs/dbraw/zinc/26/03/59/1015260359.db2.gz PMWKIGPNRYVELT-UHFFFAOYSA-N -1 3 322.325 0.964 20 5 DCBDHM C[C@@](NCCN1CCOC1=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593267338 994588191 /nfs/dbraw/zinc/58/81/91/994588191.db2.gz OOKZTXUAYAVQMI-AWEZNQCLSA-N -1 3 323.305 0.936 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)nc1 ZINC001464356299 1015903687 /nfs/dbraw/zinc/90/36/87/1015903687.db2.gz NNSWQRRWSQUPLF-PWSUYJOCSA-N -1 3 313.335 0.980 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(NCCNC(=O)c2ccc([O-])cc2)n1 ZINC001559071916 1012402145 /nfs/dbraw/zinc/40/21/45/1012402145.db2.gz HMBMJIVEGRJSIO-UHFFFAOYSA-N -1 3 305.294 0.876 20 5 DCBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332636777 235227230 /nfs/dbraw/zinc/22/72/30/235227230.db2.gz QXGWTCGLTTWGFN-JOYOIKCWSA-N -1 3 304.306 0.892 20 5 DCBDHM COC(=O)CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000040436767 183066690 /nfs/dbraw/zinc/06/66/90/183066690.db2.gz RSWYQLKCGRHETP-UHFFFAOYSA-N -1 3 302.308 0.745 20 5 DCBDHM CN(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000294566358 224092969 /nfs/dbraw/zinc/09/29/69/224092969.db2.gz XAJFSNHKPIXZGQ-UHFFFAOYSA-N -1 3 322.365 0.620 20 5 DCBDHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000346240456 254026795 /nfs/dbraw/zinc/02/67/95/254026795.db2.gz MHVJYYRYYQAPRH-UHFFFAOYSA-N -1 3 319.277 0.351 20 5 DCBDHM C[C@@]1([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCOC1=O ZINC000289645086 221126130 /nfs/dbraw/zinc/12/61/30/221126130.db2.gz SSGIUAZYTMHJDN-GFCCVEGCSA-N -1 3 314.319 0.720 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048673812 395822613 /nfs/dbraw/zinc/82/26/13/395822613.db2.gz WDXYIEUZSYDWCD-LURJTMIESA-N -1 3 321.742 0.661 20 5 DCBDHM CN1CCC(O)(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000273395146 395918706 /nfs/dbraw/zinc/91/87/06/395918706.db2.gz HFLYZQDCLSUADD-UHFFFAOYSA-N -1 3 309.322 0.487 20 5 DCBDHM CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000069129797 396070882 /nfs/dbraw/zinc/07/08/82/396070882.db2.gz APABLJSTMLWFJC-UHFFFAOYSA-N -1 3 322.364 0.308 20 5 DCBDHM Cc1cc(N2CCO[C@@H](CN(C)CC(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000262120579 396101574 /nfs/dbraw/zinc/10/15/74/396101574.db2.gz MCSDEEOQTRYBGC-NSHDSACASA-N -1 3 324.337 0.520 20 5 DCBDHM CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000193154448 396444788 /nfs/dbraw/zinc/44/47/88/396444788.db2.gz ZGUDGOUZLYSICA-UHFFFAOYSA-N -1 3 322.365 0.668 20 5 DCBDHM O=C(COc1cccc([N+](=O)[O-])c1)NCCCc1cc(=O)[nH][n-]1 ZINC000588875690 396697548 /nfs/dbraw/zinc/69/75/48/396697548.db2.gz BMOFFWDJCLQLPY-UHFFFAOYSA-N -1 3 320.305 0.746 20 5 DCBDHM CN(C)C(=O)CN1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596121386 396720219 /nfs/dbraw/zinc/72/02/19/396720219.db2.gz MTUGNQHWVHRGNZ-UHFFFAOYSA-N -1 3 323.353 0.660 20 5 DCBDHM CN(C)C(=O)[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596186904 396728384 /nfs/dbraw/zinc/72/83/84/396728384.db2.gz YDGUYPXFJWOHMR-PSASIEDQSA-N -1 3 310.310 0.743 20 5 DCBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nnn[n-]1 ZINC000596192633 396729390 /nfs/dbraw/zinc/72/93/90/396729390.db2.gz GBXRDEHLRQUJJF-ZETCQYMHSA-N -1 3 305.298 0.447 20 5 DCBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nn[n-]n1 ZINC000596192633 396729392 /nfs/dbraw/zinc/72/93/92/396729392.db2.gz GBXRDEHLRQUJJF-ZETCQYMHSA-N -1 3 305.298 0.447 20 5 DCBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000596235394 396740822 /nfs/dbraw/zinc/74/08/22/396740822.db2.gz BQFCEEHOZUGSLD-HTQZYQBOSA-N -1 3 301.324 0.707 20 5 DCBDHM CCOC(=O)c1ncc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])[n-]1 ZINC000619448427 397130602 /nfs/dbraw/zinc/13/06/02/397130602.db2.gz QPALVJQYMCCGOM-UHFFFAOYSA-N -1 3 322.281 0.963 20 5 DCBDHM Cc1c(CC(=O)N(CCN(C)C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000592367281 397161800 /nfs/dbraw/zinc/16/18/00/397161800.db2.gz NQONQTJSXGZFLK-UHFFFAOYSA-N -1 3 323.349 0.921 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)c(F)c1 ZINC000599477758 397453617 /nfs/dbraw/zinc/45/36/17/397453617.db2.gz NREKGHSWRIJARO-OTSSQURYSA-N -1 3 304.299 0.783 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195477227 296575747 /nfs/dbraw/zinc/57/57/47/296575747.db2.gz PZJVQOLTLSTNPG-KCJUWKMLSA-N -1 3 313.335 0.398 20 5 DCBDHM CCNC(=O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129663853 158291145 /nfs/dbraw/zinc/29/11/45/158291145.db2.gz QFLOOPAQBYCSDK-UHFFFAOYSA-N -1 3 301.324 0.150 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000352532030 415212129 /nfs/dbraw/zinc/21/21/29/415212129.db2.gz SFRDQDNKTDLJGQ-SSDOTTSWSA-N -1 3 310.353 0.250 20 5 DCBDHM CCN(C)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000130916692 415924447 /nfs/dbraw/zinc/92/44/47/415924447.db2.gz VXLUCZPUXSCPKD-UHFFFAOYSA-N -1 3 305.331 0.964 20 5 DCBDHM COCCN(CCN(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183572812 416247458 /nfs/dbraw/zinc/24/74/58/416247458.db2.gz DTUMAPIVLLBOLZ-UHFFFAOYSA-N -1 3 311.338 0.951 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000360282081 416384237 /nfs/dbraw/zinc/38/42/37/416384237.db2.gz ILMHLGABFPCLAQ-MRVPVSSYSA-N -1 3 301.324 0.445 20 5 DCBDHM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000361904001 416519967 /nfs/dbraw/zinc/51/99/67/416519967.db2.gz YVISPFAVQLJPEJ-SNVBAGLBSA-N -1 3 324.337 0.394 20 5 DCBDHM Cn1c([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])nnc1C1CC1 ZINC000597898416 416599174 /nfs/dbraw/zinc/59/91/74/416599174.db2.gz JPLGWOMPECAADZ-UHFFFAOYSA-N -1 3 303.282 0.830 20 5 DCBDHM O=C1CCOC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599441710 416613271 /nfs/dbraw/zinc/61/32/71/416613271.db2.gz INPORHOFNZFRFL-QMMMGPOBSA-N -1 3 300.292 0.231 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000490503065 272076008 /nfs/dbraw/zinc/07/60/08/272076008.db2.gz MGLUKDMYIBNZSX-QMMMGPOBSA-N -1 3 301.324 0.316 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCCC(N)=O ZINC000537170479 287864026 /nfs/dbraw/zinc/86/40/26/287864026.db2.gz XZSGWPSKJZMFMO-UHFFFAOYSA-N -1 3 315.351 0.837 20 5 DCBDHM Cc1c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332644153 533756381 /nfs/dbraw/zinc/75/63/81/533756381.db2.gz RTKWYTCDEPIEEP-LLVKDONJSA-N -1 3 318.289 0.279 20 5 DCBDHM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188444255 520213720 /nfs/dbraw/zinc/21/37/20/520213720.db2.gz YDNPJARYAZYLPE-VIFPVBQESA-N -1 3 315.351 0.740 20 5 DCBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000160481952 523989002 /nfs/dbraw/zinc/98/90/02/523989002.db2.gz PLDAEIJMCUENBL-VIFPVBQESA-N -1 3 317.298 0.243 20 5 DCBDHM COC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736976412 598855366 /nfs/dbraw/zinc/85/53/66/598855366.db2.gz LACMXPLCKDYVKP-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM COC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736976412 598855368 /nfs/dbraw/zinc/85/53/68/598855368.db2.gz LACMXPLCKDYVKP-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM CNC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736869921 598815232 /nfs/dbraw/zinc/81/52/32/598815232.db2.gz DALYXEHKFBSTIK-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736869921 598815234 /nfs/dbraw/zinc/81/52/34/598815234.db2.gz DALYXEHKFBSTIK-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821594750 606200141 /nfs/dbraw/zinc/20/01/41/606200141.db2.gz AXTYZSBLCAUWRN-GFCCVEGCSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821594750 606200143 /nfs/dbraw/zinc/20/01/43/606200143.db2.gz AXTYZSBLCAUWRN-GFCCVEGCSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820641087 606475147 /nfs/dbraw/zinc/47/51/47/606475147.db2.gz ADCJLLKMOIYSNM-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820641087 606475148 /nfs/dbraw/zinc/47/51/48/606475148.db2.gz ADCJLLKMOIYSNM-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM COCCOC1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821692146 606643313 /nfs/dbraw/zinc/64/33/13/606643313.db2.gz PJJXTXGVPLNWJF-UHFFFAOYSA-N -1 3 320.309 0.627 20 5 DCBDHM COCCOC1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821692146 606643312 /nfs/dbraw/zinc/64/33/12/606643312.db2.gz PJJXTXGVPLNWJF-UHFFFAOYSA-N -1 3 320.309 0.627 20 5 DCBDHM COC[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC000826149260 609313000 /nfs/dbraw/zinc/31/30/00/609313000.db2.gz DJSPHMNMUZEUJN-VIFPVBQESA-N -1 3 308.298 0.848 20 5 DCBDHM COC[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC000826149260 609313002 /nfs/dbraw/zinc/31/30/02/609313002.db2.gz DJSPHMNMUZEUJN-VIFPVBQESA-N -1 3 308.298 0.848 20 5 DCBDHM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC000896556069 662290034 /nfs/dbraw/zinc/29/00/34/662290034.db2.gz NZGFRICXEJZCJZ-HZMBPMFUSA-N -1 3 322.365 0.665 20 5 DCBDHM O=C([N-][C@H]1CNC(=O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586546 670698513 /nfs/dbraw/zinc/69/85/13/670698513.db2.gz MTAPPIBLUDBLHT-SSDOTTSWSA-N -1 3 315.232 0.571 20 5 DCBDHM O=C([N-]C[C@H](O)CO)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585917 670698710 /nfs/dbraw/zinc/69/87/10/670698710.db2.gz UHLNANOGHJNTBP-QMMMGPOBSA-N -1 3 306.221 0.036 20 5 DCBDHM C[C@](O)(CO)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590396 670699412 /nfs/dbraw/zinc/69/94/12/670699412.db2.gz OGBHYWRVLGUVGJ-LLVKDONJSA-N -1 3 320.248 0.426 20 5 DCBDHM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1=O ZINC000820388153 671197379 /nfs/dbraw/zinc/19/73/79/671197379.db2.gz KJUUUUNWRVQFAT-UHFFFAOYSA-N -1 3 310.245 0.078 20 5 DCBDHM CO[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579869255 1165416396 /nfs/dbraw/zinc/41/63/96/1165416396.db2.gz VEUUUJPEVXJLFP-GHMZBOCLSA-N -1 3 306.282 0.601 20 5 DCBDHM CO[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579869255 1165416443 /nfs/dbraw/zinc/41/64/43/1165416443.db2.gz VEUUUJPEVXJLFP-GHMZBOCLSA-N -1 3 306.282 0.601 20 5 DCBDHM Nc1ncccc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581910280 1165911450 /nfs/dbraw/zinc/91/14/50/1165911450.db2.gz NEAVBCZCBFMNLK-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1ncccc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581910280 1165911456 /nfs/dbraw/zinc/91/14/56/1165911456.db2.gz NEAVBCZCBFMNLK-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC[N+](=O)[O-] ZINC001590028899 1166758353 /nfs/dbraw/zinc/75/83/53/1166758353.db2.gz MMDNFDBOORINAJ-SECBINFHSA-N -1 3 321.293 0.844 20 5 DCBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC[N+](=O)[O-] ZINC001590028899 1166758359 /nfs/dbraw/zinc/75/83/59/1166758359.db2.gz MMDNFDBOORINAJ-SECBINFHSA-N -1 3 321.293 0.844 20 5 DCBDHM C[C@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001590310466 1166858527 /nfs/dbraw/zinc/85/85/27/1166858527.db2.gz ZMPNHPUZGSMFKV-VIFPVBQESA-N -1 3 304.310 0.996 20 5 DCBDHM C[C@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001590310466 1166858536 /nfs/dbraw/zinc/85/85/36/1166858536.db2.gz ZMPNHPUZGSMFKV-VIFPVBQESA-N -1 3 304.310 0.996 20 5 DCBDHM CCn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nn1 ZINC001590953123 1167057440 /nfs/dbraw/zinc/05/74/40/1167057440.db2.gz AXQCKYNHVGIDHA-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1 ZINC001590953123 1167057444 /nfs/dbraw/zinc/05/74/44/1167057444.db2.gz AXQCKYNHVGIDHA-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CNC(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591201417 1167151345 /nfs/dbraw/zinc/15/13/45/1167151345.db2.gz CUTUUGVAJYIXSZ-VIFPVBQESA-N -1 3 317.309 0.347 20 5 DCBDHM CNC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591201417 1167151348 /nfs/dbraw/zinc/15/13/48/1167151348.db2.gz CUTUUGVAJYIXSZ-VIFPVBQESA-N -1 3 317.309 0.347 20 5 DCBDHM COC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591375691 1167246270 /nfs/dbraw/zinc/24/62/70/1167246270.db2.gz HKYIBKXKACRYIF-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM C[S@@](=O)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591684611 1167353721 /nfs/dbraw/zinc/35/37/21/1167353721.db2.gz UCFPIWDZSPUUOO-OAQYLSRUSA-N -1 3 314.302 0.704 20 5 DCBDHM C[S@@](=O)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591684611 1167353725 /nfs/dbraw/zinc/35/37/25/1167353725.db2.gz UCFPIWDZSPUUOO-OAQYLSRUSA-N -1 3 314.302 0.704 20 5 DCBDHM Cc1cc(N2CC(CCO)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591999763 1167432074 /nfs/dbraw/zinc/43/20/74/1167432074.db2.gz SXGCFRXLSVDFRY-UHFFFAOYSA-N -1 3 304.310 0.902 20 5 DCBDHM Cc1cc(N2CC(CCO)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591999763 1167432078 /nfs/dbraw/zinc/43/20/78/1167432078.db2.gz SXGCFRXLSVDFRY-UHFFFAOYSA-N -1 3 304.310 0.902 20 5 DCBDHM Cc1nnsc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592454895 1167530781 /nfs/dbraw/zinc/53/07/81/1167530781.db2.gz VWQZRXYVFFOXHW-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM Cc1nnsc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592454895 1167530786 /nfs/dbraw/zinc/53/07/86/1167530786.db2.gz VWQZRXYVFFOXHW-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM Cn1ccnc1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592585971 1167570840 /nfs/dbraw/zinc/57/08/40/1167570840.db2.gz QZCKCELIPPLPAB-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Cn1ccnc1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592585971 1167570843 /nfs/dbraw/zinc/57/08/43/1167570843.db2.gz QZCKCELIPPLPAB-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Cn1nnnc1Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592612620 1167583714 /nfs/dbraw/zinc/58/37/14/1167583714.db2.gz LTXMWHYMNQFWGT-UHFFFAOYSA-N -1 3 305.283 0.450 20 5 DCBDHM Cn1nnnc1Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592612620 1167583718 /nfs/dbraw/zinc/58/37/18/1167583718.db2.gz LTXMWHYMNQFWGT-UHFFFAOYSA-N -1 3 305.283 0.450 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCC1CC(O)C1 ZINC001593470119 1167858897 /nfs/dbraw/zinc/85/88/97/1167858897.db2.gz FLHNLSJFMJKMQD-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCC1CC(O)C1 ZINC001593470119 1167858903 /nfs/dbraw/zinc/85/89/03/1167858903.db2.gz FLHNLSJFMJKMQD-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC1CC(CCO)C1 ZINC001593471774 1167861526 /nfs/dbraw/zinc/86/15/26/1167861526.db2.gz UEBDMLUHSGMPLU-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC1CC(CCO)C1 ZINC001593471774 1167861541 /nfs/dbraw/zinc/86/15/41/1167861541.db2.gz UEBDMLUHSGMPLU-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H](O)[C@H]1CCCO1 ZINC001593481971 1167867353 /nfs/dbraw/zinc/86/73/53/1167867353.db2.gz TXBGNGXVWRXYNF-WDEREUQCSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H](O)[C@H]1CCCO1 ZINC001593481971 1167867363 /nfs/dbraw/zinc/86/73/63/1167867363.db2.gz TXBGNGXVWRXYNF-WDEREUQCSA-N -1 3 320.309 0.727 20 5 DCBDHM CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602921229 1169207441 /nfs/dbraw/zinc/20/74/41/1169207441.db2.gz ZNDDSFXSZRJSLP-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602921229 1169207446 /nfs/dbraw/zinc/20/74/46/1169207446.db2.gz ZNDDSFXSZRJSLP-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM C[C@]1(NCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCOC1=O ZINC001603818078 1169402546 /nfs/dbraw/zinc/40/25/46/1169402546.db2.gz DOGUJGOAKNBPIX-ZDUSSCGKSA-N -1 3 318.293 0.570 20 5 DCBDHM C[C@]1(NCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCOC1=O ZINC001603818078 1169402550 /nfs/dbraw/zinc/40/25/50/1169402550.db2.gz DOGUJGOAKNBPIX-ZDUSSCGKSA-N -1 3 318.293 0.570 20 5 DCBDHM CCOC(=O)CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604374709 1169574306 /nfs/dbraw/zinc/57/43/06/1169574306.db2.gz WZAMKZNWWOGTIM-UHFFFAOYSA-N -1 3 307.270 0.169 20 5 DCBDHM CCOC(=O)CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604374709 1169574309 /nfs/dbraw/zinc/57/43/09/1169574309.db2.gz WZAMKZNWWOGTIM-UHFFFAOYSA-N -1 3 307.270 0.169 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC(=O)C1 ZINC001607040704 1170364165 /nfs/dbraw/zinc/36/41/65/1170364165.db2.gz WFKIDOFZVMYZDG-UHFFFAOYSA-N -1 3 317.261 0.797 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC(=O)C1 ZINC001607040704 1170364174 /nfs/dbraw/zinc/36/41/74/1170364174.db2.gz WFKIDOFZVMYZDG-UHFFFAOYSA-N -1 3 317.261 0.797 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1 ZINC001607082702 1170383600 /nfs/dbraw/zinc/38/36/00/1170383600.db2.gz STVQYQCINGECFL-SSDOTTSWSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1 ZINC001607082702 1170383602 /nfs/dbraw/zinc/38/36/02/1170383602.db2.gz STVQYQCINGECFL-SSDOTTSWSA-N -1 3 324.322 0.374 20 5 DCBDHM CN(c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001609282156 1170909400 /nfs/dbraw/zinc/90/94/00/1170909400.db2.gz IUYIWQUXHBRQPE-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CN(c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001609282156 1170909401 /nfs/dbraw/zinc/90/94/01/1170909401.db2.gz IUYIWQUXHBRQPE-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCSC[C@@H]2CO)ccc1-c1nnn[n-]1 ZINC001609601190 1171039849 /nfs/dbraw/zinc/03/98/49/1171039849.db2.gz RHFLEAJCRVGERA-VIFPVBQESA-N -1 3 322.350 0.689 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC(F)(F)CO ZINC001609600192 1171039991 /nfs/dbraw/zinc/03/99/91/1171039991.db2.gz WCNPYIHPZCGLNV-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC(F)(F)CO ZINC001609600192 1171039999 /nfs/dbraw/zinc/03/99/99/1171039999.db2.gz WCNPYIHPZCGLNV-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@](F)(CO)C1 ZINC001609601451 1171040861 /nfs/dbraw/zinc/04/08/61/1171040861.db2.gz XTEBBFOUBBNNFM-LBPRGKRZSA-N -1 3 308.273 0.686 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@](F)(CO)C1 ZINC001609601451 1171040869 /nfs/dbraw/zinc/04/08/69/1171040869.db2.gz XTEBBFOUBBNNFM-LBPRGKRZSA-N -1 3 308.273 0.686 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001623260733 1171434998 /nfs/dbraw/zinc/43/49/98/1171434998.db2.gz ODEAKGSPWLWZNY-QMMMGPOBSA-N -1 3 306.282 0.045 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CC[S@](C)=O)c([N+](=O)[O-])s1 ZINC001660460039 1173994660 /nfs/dbraw/zinc/99/46/60/1173994660.db2.gz SVIRAJLVCCMJQT-KRWDZBQOSA-N -1 3 312.394 0.622 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2O)c([N+](=O)[O-])s1 ZINC001663980179 1174378870 /nfs/dbraw/zinc/37/88/70/1174378870.db2.gz VYVIDNRAWNMCFE-HTQZYQBOSA-N -1 3 322.364 0.393 20 5 DCBDHM Cc1cnoc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001688342304 1176459543 /nfs/dbraw/zinc/45/95/43/1176459543.db2.gz VYNGPTYQONHJNJ-UHFFFAOYSA-N -1 3 321.293 0.858 20 5 DCBDHM O=C(Nc1cnc2nccn2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001148245400 767952748 /nfs/dbraw/zinc/95/27/48/767952748.db2.gz CLKWKAUHTLOMOR-UHFFFAOYSA-N -1 3 300.234 0.990 20 5 DCBDHM CN(CCNC(=O)c1ccncc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099896739 763107251 /nfs/dbraw/zinc/10/72/51/763107251.db2.gz GZZRGYKEDPMQSL-UHFFFAOYSA-N -1 3 317.305 0.957 20 5 DCBDHM Cc1cc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])on1 ZINC001099928368 763133977 /nfs/dbraw/zinc/13/39/77/763133977.db2.gz UVSOSQHMKJWASO-UHFFFAOYSA-N -1 3 321.293 0.858 20 5 DCBDHM CN(CCNC(=O)c1cncn1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100213750 763399753 /nfs/dbraw/zinc/39/97/53/763399753.db2.gz NEUTXIHIXNRABG-UHFFFAOYSA-N -1 3 320.309 0.295 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccn(C)n1 ZINC001101631859 764207760 /nfs/dbraw/zinc/20/77/60/764207760.db2.gz KKDKQZYJXHRRKR-UHFFFAOYSA-N -1 3 320.309 0.613 20 5 DCBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144501888 766960242 /nfs/dbraw/zinc/96/02/42/766960242.db2.gz DGLYMIPSKHNGOC-SECBINFHSA-N -1 3 320.309 0.545 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnccn1 ZINC001093455710 768575252 /nfs/dbraw/zinc/57/52/52/768575252.db2.gz TTZYOWKGHBVKOX-UHFFFAOYSA-N -1 3 304.266 0.327 20 5 DCBDHM Cc1ncc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]1 ZINC001093531965 768607366 /nfs/dbraw/zinc/60/73/66/768607366.db2.gz SUYWNULVRAYKFW-UHFFFAOYSA-N -1 3 306.282 0.569 20 5 DCBDHM Cn1ccc(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001093609771 768659617 /nfs/dbraw/zinc/65/96/17/768659617.db2.gz RDSPDXCOVPWURV-UHFFFAOYSA-N -1 3 320.309 0.200 20 5 DCBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cnc[n-]c1=O ZINC001093941709 768797819 /nfs/dbraw/zinc/79/78/19/768797819.db2.gz BABQZUUJHXTXQV-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM Cn1nccc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094356093 769015989 /nfs/dbraw/zinc/01/59/89/769015989.db2.gz OGRPQVKIGFZQOP-UHFFFAOYSA-N -1 3 320.309 0.661 20 5 DCBDHM Cc1nc[nH]c1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094483612 769083359 /nfs/dbraw/zinc/08/33/59/769083359.db2.gz YBZVIAVRCOFCNW-UHFFFAOYSA-N -1 3 320.309 0.959 20 5 DCBDHM Cc1ccnc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c1[N+](=O)[O-] ZINC001155440793 770505081 /nfs/dbraw/zinc/50/50/81/770505081.db2.gz VDRAXFZCILAZPY-UHFFFAOYSA-N -1 3 320.290 0.984 20 5 DCBDHM COc1cc(CNCC(=O)N2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC001204020885 772933693 /nfs/dbraw/zinc/93/36/93/772933693.db2.gz RTKNPXBZQAIMPX-UHFFFAOYSA-N -1 3 311.294 0.563 20 5 DCBDHM CNC(=O)CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591208766 1167156635 /nfs/dbraw/zinc/15/66/35/1167156635.db2.gz PPJWDNNIDODACL-UHFFFAOYSA-N -1 3 308.323 0.754 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]C2=NCC(=O)N2C)c1F ZINC001470595873 1016466217 /nfs/dbraw/zinc/46/62/17/1016466217.db2.gz ALTCRHFUMWQDEW-UHFFFAOYSA-N -1 3 312.232 0.739 20 5 DCBDHM COCCn1nnnc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001538038573 1012410238 /nfs/dbraw/zinc/41/02/38/1012410238.db2.gz DOVOMTRJHLWHDQ-UHFFFAOYSA-N -1 3 310.245 0.619 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000332594158 235165074 /nfs/dbraw/zinc/16/50/74/235165074.db2.gz BHHBCQNKKAPNBX-GFCCVEGCSA-N -1 3 304.306 0.373 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000042319986 183254441 /nfs/dbraw/zinc/25/44/41/183254441.db2.gz ZLQRTIQYNZYOHF-ZETCQYMHSA-N -1 3 318.307 0.443 20 5 DCBDHM C[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000340300197 253232847 /nfs/dbraw/zinc/23/28/47/253232847.db2.gz CPMWDCKZPIWTDS-MRVPVSSYSA-N -1 3 318.289 0.885 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000347024390 254122573 /nfs/dbraw/zinc/12/25/73/254122573.db2.gz SIVKSWKVWBSLQO-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000347024390 254122574 /nfs/dbraw/zinc/12/25/74/254122574.db2.gz SIVKSWKVWBSLQO-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM COc1ccc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332597110 533562306 /nfs/dbraw/zinc/56/23/06/533562306.db2.gz HWXPILHVRPZKSU-NSHDSACASA-N -1 3 320.305 0.339 20 5 DCBDHM COC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032414986 395711190 /nfs/dbraw/zinc/71/11/90/395711190.db2.gz VPOPPEFOYDJMSE-UHFFFAOYSA-N -1 3 318.307 0.445 20 5 DCBDHM CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000270892159 395819800 /nfs/dbraw/zinc/81/98/00/395819800.db2.gz DPUSXQSDZPRYLM-ZCFIWIBFSA-N -1 3 306.282 0.867 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000234884468 395891121 /nfs/dbraw/zinc/89/11/21/395891121.db2.gz SMKIDBLBXZKRNR-SSDOTTSWSA-N -1 3 324.742 0.534 20 5 DCBDHM NC(=O)OCC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272161666 395874018 /nfs/dbraw/zinc/87/40/18/395874018.db2.gz HUVQZHVBSHFPAH-UHFFFAOYSA-N -1 3 303.221 0.898 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOCCO)c1[N+](=O)[O-] ZINC000276775107 396027407 /nfs/dbraw/zinc/02/74/07/396027407.db2.gz HSVUYUOMOUOCDE-UHFFFAOYSA-N -1 3 318.351 0.499 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000071304357 396112808 /nfs/dbraw/zinc/11/28/08/396112808.db2.gz ILOIWDHANSWYCZ-NSHDSACASA-N -1 3 300.336 0.952 20 5 DCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000176659703 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O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588863678 396695689 /nfs/dbraw/zinc/69/56/89/396695689.db2.gz TVHNYYBODABGLJ-RYUDHWBXSA-N -1 3 321.333 0.582 20 5 DCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1cc(=O)[nH][n-]1 ZINC000588875839 396697641 /nfs/dbraw/zinc/69/76/41/396697641.db2.gz IPUSDOLVFQREEW-UHFFFAOYSA-N -1 3 304.306 0.910 20 5 DCBDHM O=C(CNc1ccccc1[N+](=O)[O-])[N-]c1nnc2[nH]cnn12 ZINC000590551951 396794630 /nfs/dbraw/zinc/79/46/30/396794630.db2.gz ABRRVIFLUGOPPH-UHFFFAOYSA-N -1 3 302.254 0.411 20 5 DCBDHM O=c1[n-]ccc(N2CCC[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596247996 396744259 /nfs/dbraw/zinc/74/42/59/396744259.db2.gz VBMLAMCKVOAVJU-LLVKDONJSA-N -1 3 308.338 0.996 20 5 DCBDHM Cc1c(CC(=O)[N-]c2nnc3[nH]cnn23)cccc1[N+](=O)[O-] ZINC000590378966 396763544 /nfs/dbraw/zinc/76/35/44/396763544.db2.gz HLTKFAUGIQCWRR-UHFFFAOYSA-N -1 3 301.266 0.850 20 5 DCBDHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000131204687 158300364 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DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360841158 416413170 /nfs/dbraw/zinc/41/31/70/416413170.db2.gz RAAYUVPBHDXRPE-UHFFFAOYSA-N -1 3 319.203 0.395 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360841158 416413172 /nfs/dbraw/zinc/41/31/72/416413172.db2.gz RAAYUVPBHDXRPE-UHFFFAOYSA-N -1 3 319.203 0.395 20 5 DCBDHM COC[C@@H](C)n1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000429975297 417009303 /nfs/dbraw/zinc/00/93/03/417009303.db2.gz RRHJGGCEUNESKA-MRVPVSSYSA-N -1 3 321.293 1.352 20 5 DCBDHM CCN(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000525175221 417127845 /nfs/dbraw/zinc/12/78/45/417127845.db2.gz MJCMCZFUNBKCQC-UHFFFAOYSA-N -1 3 314.367 0.752 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])[n-]n1 ZINC000574136614 417479646 /nfs/dbraw/zinc/47/96/46/417479646.db2.gz VVJCYKBVFREPIJ-UHFFFAOYSA-N -1 3 322.281 0.963 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n[n-]1 ZINC000574136614 417479656 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O=[N+]([O-])c1ccc(NCC2(O)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738371621 598757875 /nfs/dbraw/zinc/75/78/75/598757875.db2.gz URNQLNNVDNZQOI-UHFFFAOYSA-N -1 3 320.309 0.728 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736293041 609167202 /nfs/dbraw/zinc/16/72/02/609167202.db2.gz MZSSYSGGIMLZDK-OCAPTIKFSA-N -1 3 305.298 0.784 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736293041 609167204 /nfs/dbraw/zinc/16/72/04/609167204.db2.gz MZSSYSGGIMLZDK-OCAPTIKFSA-N -1 3 305.298 0.784 20 5 DCBDHM O=C(COC(=O)c1cnn[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000805607665 668899658 /nfs/dbraw/zinc/89/96/58/668899658.db2.gz OIMABBBWKHUSLJ-UHFFFAOYSA-N -1 3 309.213 0.648 20 5 DCBDHM O=C(COC(=O)c1c[n-]nn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000805607665 668899659 /nfs/dbraw/zinc/89/96/59/668899659.db2.gz OIMABBBWKHUSLJ-UHFFFAOYSA-N -1 3 309.213 0.648 20 5 DCBDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848339223 670671252 /nfs/dbraw/zinc/67/12/52/670671252.db2.gz ZYGCJVHBEGHZNO-FNCVBFRFSA-N -1 3 323.271 0.710 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCn1ccnn1 ZINC000826497788 671489961 /nfs/dbraw/zinc/48/99/61/671489961.db2.gz UVHBUAKTYKUFBJ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCn1ccnn1 ZINC000826497788 671489962 /nfs/dbraw/zinc/48/99/62/671489962.db2.gz UVHBUAKTYKUFBJ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845947569 672284601 /nfs/dbraw/zinc/28/46/01/672284601.db2.gz PWUOWFFFLIXAPK-VIFPVBQESA-N -1 3 315.307 0.220 20 5 DCBDHM Cc1nnc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[nH]1 ZINC001581400617 1165821474 /nfs/dbraw/zinc/82/14/74/1165821474.db2.gz ZEAIGUNQFMWKDO-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM O=[N+]([O-])c1cnn(CCOc2ccccc2-c2nnn[n-]2)n1 ZINC001582805008 1166087270 /nfs/dbraw/zinc/08/72/70/1166087270.db2.gz VKJASXLEXISQAC-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM O=[N+]([O-])c1cnn(CCOc2ccccc2-c2nn[n-]n2)n1 ZINC001582805008 1166087274 /nfs/dbraw/zinc/08/72/74/1166087274.db2.gz VKJASXLEXISQAC-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])COC1 ZINC001590074308 1166766803 /nfs/dbraw/zinc/76/68/03/1166766803.db2.gz RQGROJZRLOTBBM-UHFFFAOYSA-N -1 3 319.277 0.855 20 5 DCBDHM CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])COC1 ZINC001590074308 1166766810 /nfs/dbraw/zinc/76/68/10/1166766810.db2.gz RQGROJZRLOTBBM-UHFFFAOYSA-N -1 3 319.277 0.855 20 5 DCBDHM C[C@@H]1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC001590181608 1166800762 /nfs/dbraw/zinc/80/07/62/1166800762.db2.gz RQOHRWMDTAWRFX-SSDOTTSWSA-N -1 3 316.277 0.670 20 5 DCBDHM C[C@@H]1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC001590181608 1166800767 /nfs/dbraw/zinc/80/07/67/1166800767.db2.gz RQOHRWMDTAWRFX-SSDOTTSWSA-N -1 3 316.277 0.670 20 5 DCBDHM C[C@@H]1C[C@H](CO)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191265 1166802700 /nfs/dbraw/zinc/80/27/00/1166802700.db2.gz FEZWKOUQGRWHCL-BDAKNGLRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1C[C@H](CO)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191265 1166802708 /nfs/dbraw/zinc/80/27/08/1166802708.db2.gz FEZWKOUQGRWHCL-BDAKNGLRSA-N -1 3 319.325 0.625 20 5 DCBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC001591155326 1167119943 /nfs/dbraw/zinc/11/99/43/1167119943.db2.gz KBPHPBBNGKJGFJ-VIFPVBQESA-N -1 3 303.282 0.100 20 5 DCBDHM CN1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591194946 1167144902 /nfs/dbraw/zinc/14/49/02/1167144902.db2.gz NLCVVKQNJXJOHE-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CNC(=O)CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591208766 1167156631 /nfs/dbraw/zinc/15/66/31/1167156631.db2.gz PPJWDNNIDODACL-UHFFFAOYSA-N -1 3 308.323 0.754 20 5 DCBDHM COC(=O)C1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591255833 1167181765 /nfs/dbraw/zinc/18/17/65/1167181765.db2.gz WZNZESOBGJOISD-UHFFFAOYSA-N -1 3 304.266 0.384 20 5 DCBDHM COC(=O)C1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001591255833 1167181770 /nfs/dbraw/zinc/18/17/70/1167181770.db2.gz WZNZESOBGJOISD-UHFFFAOYSA-N -1 3 304.266 0.384 20 5 DCBDHM COC(=O)N(C)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591271169 1167190371 /nfs/dbraw/zinc/19/03/71/1167190371.db2.gz HLEGESQTWVQKRP-UHFFFAOYSA-N -1 3 321.297 0.885 20 5 DCBDHM COC(=O)N(C)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591271169 1167190373 /nfs/dbraw/zinc/19/03/73/1167190373.db2.gz HLEGESQTWVQKRP-UHFFFAOYSA-N -1 3 321.297 0.885 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001592588797 1167573683 /nfs/dbraw/zinc/57/36/83/1167573683.db2.gz JFTMTJQXUFXSBH-UHFFFAOYSA-N -1 3 320.294 0.822 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001592588797 1167573688 /nfs/dbraw/zinc/57/36/88/1167573688.db2.gz JFTMTJQXUFXSBH-UHFFFAOYSA-N -1 3 320.294 0.822 20 5 DCBDHM NC(=O)[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001592735218 1167620807 /nfs/dbraw/zinc/62/08/07/1167620807.db2.gz LRBNFNCRJATPQG-KNVOCYPGSA-N -1 3 303.282 0.451 20 5 DCBDHM NC(=O)[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001592735218 1167620809 /nfs/dbraw/zinc/62/08/09/1167620809.db2.gz LRBNFNCRJATPQG-KNVOCYPGSA-N -1 3 303.282 0.451 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001592758673 1167635407 /nfs/dbraw/zinc/63/54/07/1167635407.db2.gz HCALZUQXDMRKNY-LJGSYFOKSA-N -1 3 305.298 0.540 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592758673 1167635414 /nfs/dbraw/zinc/63/54/14/1167635414.db2.gz HCALZUQXDMRKNY-LJGSYFOKSA-N -1 3 305.298 0.540 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001593291234 1167763232 /nfs/dbraw/zinc/76/32/32/1167763232.db2.gz FPSAWRNRGGJEBJ-LLVKDONJSA-N -1 3 319.277 0.997 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001593291234 1167763239 /nfs/dbraw/zinc/76/32/39/1167763239.db2.gz FPSAWRNRGGJEBJ-LLVKDONJSA-N -1 3 319.277 0.997 20 5 DCBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001593296755 1167763758 /nfs/dbraw/zinc/76/37/58/1167763758.db2.gz SEZQWCOPMVXWIQ-JTQLQIEISA-N -1 3 319.277 0.855 20 5 DCBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001593296755 1167763764 /nfs/dbraw/zinc/76/37/64/1167763764.db2.gz SEZQWCOPMVXWIQ-JTQLQIEISA-N -1 3 319.277 0.855 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](CF)C1 ZINC001593467504 1167857127 /nfs/dbraw/zinc/85/71/27/1167857127.db2.gz AQUYDMFRQLHYDS-VIFPVBQESA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](CF)C1 ZINC001593467504 1167857131 /nfs/dbraw/zinc/85/71/31/1167857131.db2.gz AQUYDMFRQLHYDS-VIFPVBQESA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC(O)CC1 ZINC001593469607 1167858231 /nfs/dbraw/zinc/85/82/31/1167858231.db2.gz XYWZQAWHFMNUOI-UHFFFAOYSA-N -1 3 308.273 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC(O)CC1 ZINC001593469607 1167858242 /nfs/dbraw/zinc/85/82/42/1167858242.db2.gz XYWZQAWHFMNUOI-UHFFFAOYSA-N -1 3 308.273 0.875 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CC[S@@](=O)C1 ZINC001593474128 1167863902 /nfs/dbraw/zinc/86/39/02/1167863902.db2.gz FUZZPVBMCSVOEI-HXNGOWOSSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CC[S@@](=O)C1 ZINC001593474128 1167863931 /nfs/dbraw/zinc/86/39/31/1167863931.db2.gz FUZZPVBMCSVOEI-HXNGOWOSSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593470832 1167864568 /nfs/dbraw/zinc/86/45/68/1167864568.db2.gz NQCMNGVZZFBHJP-FJPPDTINSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593470832 1167864576 /nfs/dbraw/zinc/86/45/76/1167864576.db2.gz NQCMNGVZZFBHJP-FJPPDTINSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001593484877 1167868930 /nfs/dbraw/zinc/86/89/30/1167868930.db2.gz LRFFVDXCSJUWKU-UWVGGRQHSA-N -1 3 321.297 0.122 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001593484877 1167868936 /nfs/dbraw/zinc/86/89/36/1167868936.db2.gz LRFFVDXCSJUWKU-UWVGGRQHSA-N -1 3 321.297 0.122 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1(O)CCOCC1 ZINC001593480110 1167869045 /nfs/dbraw/zinc/86/90/45/1167869045.db2.gz FQMIWSHVGOCKLU-UHFFFAOYSA-N -1 3 320.309 0.728 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1(O)CCOCC1 ZINC001593480110 1167869051 /nfs/dbraw/zinc/86/90/51/1167869051.db2.gz FQMIWSHVGOCKLU-UHFFFAOYSA-N -1 3 320.309 0.728 20 5 DCBDHM CC(C)(CCC(=O)NCc1cncc(-c2nnn[n-]2)c1)[N+](=O)[O-] ZINC001603139149 1169252733 /nfs/dbraw/zinc/25/27/33/1169252733.db2.gz JIBHWAUIKRXQEU-UHFFFAOYSA-N -1 3 319.325 0.713 20 5 DCBDHM CC(C)(CCC(=O)NCc1cncc(-c2nn[n-]n2)c1)[N+](=O)[O-] ZINC001603139149 1169252742 /nfs/dbraw/zinc/25/27/42/1169252742.db2.gz JIBHWAUIKRXQEU-UHFFFAOYSA-N -1 3 319.325 0.713 20 5 DCBDHM CC1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)OCCO1 ZINC001603801295 1169396371 /nfs/dbraw/zinc/39/63/71/1169396371.db2.gz XVALWWOHYVVZKS-UHFFFAOYSA-N -1 3 321.297 0.735 20 5 DCBDHM CC1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)OCCO1 ZINC001603801295 1169396379 /nfs/dbraw/zinc/39/63/79/1169396379.db2.gz XVALWWOHYVVZKS-UHFFFAOYSA-N -1 3 321.297 0.735 20 5 DCBDHM C[C@@H]1CN(C)C(=O)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603931406 1169438698 /nfs/dbraw/zinc/43/86/98/1169438698.db2.gz CZGPAOHXUPFMAI-MRVPVSSYSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@@H]1CN(C)C(=O)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603931406 1169438700 /nfs/dbraw/zinc/43/87/00/1169438700.db2.gz CZGPAOHXUPFMAI-MRVPVSSYSA-N -1 3 317.309 0.442 20 5 DCBDHM CCC(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603971263 1169457254 /nfs/dbraw/zinc/45/72/54/1169457254.db2.gz CJLIQFYXKSCSGN-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCC(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603971263 1169457261 /nfs/dbraw/zinc/45/72/61/1169457261.db2.gz CJLIQFYXKSCSGN-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCN1CC[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1=O ZINC001604339809 1169558368 /nfs/dbraw/zinc/55/83/68/1169558368.db2.gz CZZCVAVZQQCTCC-JTQLQIEISA-N -1 3 317.309 0.808 20 5 DCBDHM CC1(C)[C@H](O)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609143703 1170824497 /nfs/dbraw/zinc/82/44/97/1170824497.db2.gz TVJLXEORFPNNFC-DTWKUNHWSA-N -1 3 305.298 0.741 20 5 DCBDHM CC1(C)[C@H](O)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609143703 1170824498 /nfs/dbraw/zinc/82/44/98/1170824498.db2.gz TVJLXEORFPNNFC-DTWKUNHWSA-N -1 3 305.298 0.741 20 5 DCBDHM CC[S@@](=O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609248090 1170897927 /nfs/dbraw/zinc/89/79/27/1170897927.db2.gz WMQYJGZRHIYXPW-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@@](=O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609248090 1170897937 /nfs/dbraw/zinc/89/79/37/1170897937.db2.gz WMQYJGZRHIYXPW-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC001609278894 1170908810 /nfs/dbraw/zinc/90/88/10/1170908810.db2.gz ZUBRHIFNTORMRQ-UHFFFAOYSA-N -1 3 318.337 0.979 20 5 DCBDHM Cc1cc(NCCCOCCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409598 1170970378 /nfs/dbraw/zinc/97/03/78/1170970378.db2.gz PQYZZFAISMMBET-UHFFFAOYSA-N -1 3 322.325 0.894 20 5 DCBDHM Cc1cc(NCCCOCCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409598 1170970383 /nfs/dbraw/zinc/97/03/83/1170970383.db2.gz PQYZZFAISMMBET-UHFFFAOYSA-N -1 3 322.325 0.894 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@](O)(CO)C1 ZINC001609600899 1171039788 /nfs/dbraw/zinc/03/97/88/1171039788.db2.gz JAOGHLBOVAJXFD-ZDUSSCGKSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@](O)(CO)C1 ZINC001609600899 1171039796 /nfs/dbraw/zinc/03/97/96/1171039796.db2.gz JAOGHLBOVAJXFD-ZDUSSCGKSA-N -1 3 320.309 0.099 20 5 DCBDHM O=c1[n-]ccc(N2CCC3(CC2)C[C@H](O)CNC3=O)c1[N+](=O)[O-] ZINC001640490321 1171881469 /nfs/dbraw/zinc/88/14/69/1171881469.db2.gz ZJEZEZNGXNMEQO-VIFPVBQESA-N -1 3 322.321 0.163 20 5 DCBDHM COC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001640535860 1171882578 /nfs/dbraw/zinc/88/25/78/1171882578.db2.gz LWKWMDVPUKQASK-BDAKNGLRSA-N -1 3 311.294 0.933 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001660499307 1173999904 /nfs/dbraw/zinc/99/99/04/1173999904.db2.gz LYZDVAAQKLYCHV-VIFPVBQESA-N -1 3 320.309 0.354 20 5 DCBDHM C[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001671986436 1175053930 /nfs/dbraw/zinc/05/39/30/1175053930.db2.gz VDKSBDHBIOVXJF-MRVPVSSYSA-N -1 3 303.340 0.675 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(NCC=CCNC(=O)c2cn[n-]n2)n1 ZINC001107587139 752136826 /nfs/dbraw/zinc/13/68/26/752136826.db2.gz PWTZFZJIBGTKPU-IHWYPQMZSA-N -1 3 317.309 0.814 20 5 DCBDHM O=C(N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21)c1cn[n-]n1 ZINC001060489488 751044871 /nfs/dbraw/zinc/04/48/71/751044871.db2.gz YGWWHBOHQWQKKQ-PJXYFTJBSA-N -1 3 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CCc1nn(C)c(N2CCC(c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC001163946377 772597851 /nfs/dbraw/zinc/59/78/51/772597851.db2.gz FTGXJFABPVFEHF-UHFFFAOYSA-N -1 3 306.330 0.788 20 5 DCBDHM Cc1nc(CS(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])no1 ZINC001208392529 773450163 /nfs/dbraw/zinc/45/01/63/773450163.db2.gz ZJZBNKTUWHTUGH-UHFFFAOYSA-N -1 3 312.307 0.906 20 5 DCBDHM C[S@@](=O)CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591683720 1167353463 /nfs/dbraw/zinc/35/34/63/1167353463.db2.gz GWBBHMWVPZEKBK-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC001322064002 946564548 /nfs/dbraw/zinc/56/45/48/946564548.db2.gz UEGWXGPCXSXCSQ-UHFFFAOYSA-N -1 3 304.266 0.185 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001329018798 949288058 /nfs/dbraw/zinc/28/80/58/949288058.db2.gz VBFPRAXYYNTJPJ-UHFFFAOYSA-N -1 3 303.278 0.627 20 5 DCBDHM CN1CCN(C2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC001332113435 951484144 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20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000346254717 254028326 /nfs/dbraw/zinc/02/83/26/254028326.db2.gz PTSZYJQAFXKFKZ-UHFFFAOYSA-N -1 3 323.240 0.820 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[n-]1 ZINC000346254717 254028328 /nfs/dbraw/zinc/02/83/28/254028328.db2.gz PTSZYJQAFXKFKZ-UHFFFAOYSA-N -1 3 323.240 0.820 20 5 DCBDHM Cc1ccc(NC(=O)C(=O)[N-]N2CCCNC2=O)cc1[N+](=O)[O-] ZINC000277096006 130581467 /nfs/dbraw/zinc/58/14/67/130581467.db2.gz YJOQJYKYLPZBJR-UHFFFAOYSA-N -1 3 321.293 0.288 20 5 DCBDHM COCCOCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046036303 395769778 /nfs/dbraw/zinc/76/97/78/395769778.db2.gz DINGINWKPMTNGR-UHFFFAOYSA-N -1 3 318.351 0.845 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000047942955 395803723 /nfs/dbraw/zinc/80/37/23/395803723.db2.gz GZGJEXYMEMWNFC-SSDOTTSWSA-N -1 3 318.307 0.443 20 5 DCBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]C[C@@H](O)C(F)F)cc1 ZINC000228622532 395872750 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323.313 0.005 20 5 DCBDHM CC[S@](=O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609248089 1170898126 /nfs/dbraw/zinc/89/81/26/1170898126.db2.gz WMQYJGZRHIYXPW-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@](=O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609248089 1170898136 /nfs/dbraw/zinc/89/81/36/1170898136.db2.gz WMQYJGZRHIYXPW-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM Cn1nncc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609483691 1170996339 /nfs/dbraw/zinc/99/63/39/1170996339.db2.gz QSGKMHVQILUWIR-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610137685 1171171371 /nfs/dbraw/zinc/17/13/71/1171171371.db2.gz UJWJOKJWRSCNBV-VIFPVBQESA-N -1 3 324.293 0.956 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001637976869 1171783635 /nfs/dbraw/zinc/78/36/35/1171783635.db2.gz VFJJZYOUSXTODK-UHFFFAOYSA-N -1 3 318.293 0.631 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 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312.326 0.992 20 5 DCBDHM CCOCC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109368935 761379920 /nfs/dbraw/zinc/37/99/20/761379920.db2.gz WBOCQDOMMYFFOA-UHFFFAOYSA-N -1 3 312.326 0.992 20 5 DCBDHM CCn1ccnc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093582844 768637132 /nfs/dbraw/zinc/63/71/32/768637132.db2.gz NZSDWNUUQWFUKR-UHFFFAOYSA-N -1 3 320.309 0.754 20 5 DCBDHM Cc1conc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093843312 768742441 /nfs/dbraw/zinc/74/24/41/768742441.db2.gz MWNUJHOEOGPVTK-UHFFFAOYSA-N -1 3 307.266 0.834 20 5 DCBDHM Cc1nnccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094252668 768922777 /nfs/dbraw/zinc/92/27/77/768922777.db2.gz CACOHLNCSZITDU-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnccn1 ZINC001094287074 768975354 /nfs/dbraw/zinc/97/53/54/768975354.db2.gz FAENPUUMNRMPEE-UHFFFAOYSA-N -1 3 318.293 0.717 20 5 DCBDHM CCOC(=O)[C@]1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001187381049 772177556 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DCBDHM COc1c([O-])ccc(CN(C)CCS(C)(=O)=O)c1[N+](=O)[O-] ZINC001204585617 772953533 /nfs/dbraw/zinc/95/35/33/772953533.db2.gz UYBQHSMUFSQTLJ-UHFFFAOYSA-N -1 3 318.351 0.785 20 5 DCBDHM COC(=O)[C@@H](C)Sc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591230463 1167169152 /nfs/dbraw/zinc/16/91/52/1167169152.db2.gz HOJBEDYLSQTRCR-RXMQYKEDSA-N -1 3 310.295 0.824 20 5 DCBDHM O=C(Cc1cscn1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094155171 947793867 /nfs/dbraw/zinc/79/38/67/947793867.db2.gz YVIVCMNJCSOBPO-UHFFFAOYSA-N -1 3 323.334 0.923 20 5 DCBDHM COCc1nc2n(n1)C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001328536104 948948576 /nfs/dbraw/zinc/94/85/76/948948576.db2.gz CAJBGYPIPZVGPI-MRVPVSSYSA-N -1 3 320.309 0.860 20 5 DCBDHM O=c1[n-]ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[N+](=O)[O-] ZINC001328815592 949111008 /nfs/dbraw/zinc/11/10/08/949111008.db2.gz QBHYSLCIEIPEBI-BDAKNGLRSA-N -1 3 313.335 0.851 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CCc2nnc[nH]2)c([N+](=O)[O-])s1 ZINC001475046245 1017056843 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0.491 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000275102190 212121684 /nfs/dbraw/zinc/12/16/84/212121684.db2.gz UEUNSTBRYYIZPO-SSDOTTSWSA-N -1 3 322.314 0.649 20 5 DCBDHM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000569762843 291495076 /nfs/dbraw/zinc/49/50/76/291495076.db2.gz MITANUBBIBXZHT-VIFPVBQESA-N -1 3 324.337 0.097 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000316999383 296227821 /nfs/dbraw/zinc/22/78/21/296227821.db2.gz ODQJIUFISNXCLO-GFCCVEGCSA-N -1 3 324.318 0.471 20 5 DCBDHM CC(C)(C(=O)NN1CC(=O)[N-]C1=O)c1ccc([N+](=O)[O-])cc1F ZINC000273969580 211225561 /nfs/dbraw/zinc/22/55/61/211225561.db2.gz RDOFDQBTULZRNH-UHFFFAOYSA-N -1 3 324.268 0.595 20 5 DCBDHM Cn1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(=O)[n-]c1=O ZINC000340381326 253246455 /nfs/dbraw/zinc/24/64/55/253246455.db2.gz KDFUEPSZLVRYDL-UHFFFAOYSA-N -1 3 318.289 0.367 20 5 DCBDHM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOC1=O ZINC000289666819 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COCCCN(C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269263854 396401924 /nfs/dbraw/zinc/40/19/24/396401924.db2.gz BZPAVHWYQLWGOK-UHFFFAOYSA-N -1 3 311.338 0.999 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956097 396556327 /nfs/dbraw/zinc/55/63/27/396556327.db2.gz OOPWZRGBZXJSJN-NEPJUHHUSA-N -1 3 321.333 0.893 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110614 396567123 /nfs/dbraw/zinc/56/71/23/396567123.db2.gz IWWKJUDCJJJXFA-QWRGUYRKSA-N -1 3 322.321 0.288 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]CCOCCF)c([N+](=O)[O-])c1 ZINC000595411250 396605080 /nfs/dbraw/zinc/60/50/80/396605080.db2.gz YVONPEPGKCIAQF-UHFFFAOYSA-N -1 3 322.314 0.868 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863731 396697248 /nfs/dbraw/zinc/69/72/48/396697248.db2.gz VIBUYIQVZFDTAX-VXGBXAGGSA-N -1 3 321.333 0.582 20 5 DCBDHM C[C@@H]1C[C@@H](N2CCOCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231944 396739301 /nfs/dbraw/zinc/73/93/01/396739301.db2.gz NEPHJPNTRRSPFJ-GHMZBOCLSA-N -1 3 308.338 0.995 20 5 DCBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]c1nnc2[nH]cnn12 ZINC000590380253 396764260 /nfs/dbraw/zinc/76/42/60/396764260.db2.gz WSHRXUBKNLHRQQ-UHFFFAOYSA-N -1 3 301.266 0.932 20 5 DCBDHM O=C(Nc1nn2cnnc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618345094 396968146 /nfs/dbraw/zinc/96/81/46/396968146.db2.gz BYKCJNRPXCHYLT-UHFFFAOYSA-N -1 3 307.251 0.447 20 5 DCBDHM Cc1[nH+][n-]c2nnc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c-2c1C ZINC000597636712 397039898 /nfs/dbraw/zinc/03/98/98/397039898.db2.gz CFTLGEFEGAJPQR-UHFFFAOYSA-N -1 3 316.281 0.864 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COCCC1=O ZINC000599442528 397442783 /nfs/dbraw/zinc/44/27/83/397442783.db2.gz VBHYLERWOWJTDE-VIFPVBQESA-N -1 3 314.319 0.540 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000123843452 158233889 /nfs/dbraw/zinc/23/38/89/158233889.db2.gz SHWPVFVPAVJTRO-VIFPVBQESA-N -1 3 321.380 0.753 20 5 DCBDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000126234736 158263610 /nfs/dbraw/zinc/26/36/10/158263610.db2.gz MRFUSWDFXFZQPX-QMMMGPOBSA-N -1 3 304.324 0.653 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000129235702 158286228 /nfs/dbraw/zinc/28/62/28/158286228.db2.gz XOLTWXXDDPUZNM-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000129235702 158286231 /nfs/dbraw/zinc/28/62/31/158286231.db2.gz XOLTWXXDDPUZNM-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CC1(O)CCC1 ZINC000169054813 158372687 /nfs/dbraw/zinc/37/26/87/158372687.db2.gz UBWCQQYYGFDDQR-UHFFFAOYSA-N -1 3 300.336 0.929 20 5 DCBDHM COC[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342486169 415188907 /nfs/dbraw/zinc/18/89/07/415188907.db2.gz HYXJKDSRRGMEET-QMMMGPOBSA-N -1 3 324.380 0.640 20 5 DCBDHM CSC[C@H](CCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352907965 415366630 /nfs/dbraw/zinc/36/66/30/415366630.db2.gz 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COC(=O)Cc1n[n-]c(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000345537470 416110613 /nfs/dbraw/zinc/11/06/13/416110613.db2.gz IUODYHHRYOCKIR-UHFFFAOYSA-N -1 3 305.250 0.681 20 5 DCBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179053738 416181414 /nfs/dbraw/zinc/18/14/14/416181414.db2.gz MQIJXTCXWNQBKI-UHFFFAOYSA-N -1 3 300.274 0.877 20 5 DCBDHM Cn1nncc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341661335 416220579 /nfs/dbraw/zinc/22/05/79/416220579.db2.gz RVQNKRCYEYYHOF-UHFFFAOYSA-N -1 3 315.286 0.341 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c1C ZINC000358908844 416294230 /nfs/dbraw/zinc/29/42/30/416294230.db2.gz UEKUTHZQXYWRFP-SECBINFHSA-N -1 3 313.335 0.378 20 5 DCBDHM CCc1nn(C)c([N-]c2cc(C)n(CC(=O)NC)n2)c1[N+](=O)[O-] ZINC000361043704 416420054 /nfs/dbraw/zinc/42/00/54/416420054.db2.gz PTCNSWXIIATADZ-UHFFFAOYSA-N -1 3 321.341 0.885 20 5 DCBDHM COc1cc(CNc2nc(N(C)C)n[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000424167364 416622231 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CCOC(=O)c1[n-]c(C)nc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000525643826 417142783 /nfs/dbraw/zinc/14/27/83/417142783.db2.gz GGGGKDJOQNIESQ-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000525643826 417142787 /nfs/dbraw/zinc/14/27/87/417142787.db2.gz GGGGKDJOQNIESQ-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM Cn1ccnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1=O ZINC000531253292 417611588 /nfs/dbraw/zinc/61/15/88/417611588.db2.gz ZQJIGBLIZQRJKA-UHFFFAOYSA-N -1 3 318.245 0.670 20 5 DCBDHM Cn1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000354676333 261257228 /nfs/dbraw/zinc/25/72/28/261257228.db2.gz UHSQVSUXRNVJLH-UHFFFAOYSA-N -1 3 310.335 0.849 20 5 DCBDHM Cc1nc(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)n(C)[nH]1 ZINC000356003837 271031511 /nfs/dbraw/zinc/03/15/11/271031511.db2.gz DAYKDMNNRKZNDP-UHFFFAOYSA-N -1 3 301.266 0.582 20 5 DCBDHM Cc1nc(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n(C)[nH]1 ZINC000356003837 271031516 /nfs/dbraw/zinc/03/15/16/271031516.db2.gz DAYKDMNNRKZNDP-UHFFFAOYSA-N -1 3 301.266 0.582 20 5 DCBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCNC1 ZINC000157643246 280354066 /nfs/dbraw/zinc/35/40/66/280354066.db2.gz OGNKZHMZFMKCJA-QMMMGPOBSA-N -1 3 303.315 0.764 20 5 DCBDHM COC[C@H](CCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000230194089 293100619 /nfs/dbraw/zinc/10/06/19/293100619.db2.gz KFMXZAAHSVQQKI-VIFPVBQESA-N -1 3 304.324 0.271 20 5 DCBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCN(C)C ZINC000583273752 337299767 /nfs/dbraw/zinc/29/97/67/337299767.db2.gz ZVXCUKLBHIJLEC-VIFPVBQESA-N -1 3 324.337 0.097 20 5 DCBDHM O=C(NCCNc1ncc([N+](=O)[O-])cn1)c1ccc([O-])cc1 ZINC000302106532 534363185 /nfs/dbraw/zinc/36/31/85/534363185.db2.gz NXGQYIBGPIUXDP-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM CC(C)Oc1nc([N-]c2ccn(CC(N)=O)n2)ccc1[N+](=O)[O-] ZINC000575195495 546298419 /nfs/dbraw/zinc/29/84/19/546298419.db2.gz KOLIWUYNQMXDAV-UHFFFAOYSA-N -1 3 320.309 1.202 20 5 DCBDHM CC[S@@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736664425 598914220 /nfs/dbraw/zinc/91/42/20/598914220.db2.gz KVNUMYKTUIRODO-OAQYLSRUSA-N -1 3 311.327 0.350 20 5 DCBDHM CC[S@@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736664425 598914221 /nfs/dbraw/zinc/91/42/21/598914221.db2.gz KVNUMYKTUIRODO-OAQYLSRUSA-N -1 3 311.327 0.350 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H]2O)c(-c2nnn[n-]2)c1 ZINC000823651069 599078700 /nfs/dbraw/zinc/07/87/00/599078700.db2.gz DNDHPLZQUNAQSP-OIBJUYFYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H]2O)c(-c2nn[n-]n2)c1 ZINC000823651069 599078702 /nfs/dbraw/zinc/07/87/02/599078702.db2.gz DNDHPLZQUNAQSP-OIBJUYFYSA-N -1 3 305.298 0.743 20 5 DCBDHM Cn1c(C(=O)Nc2ccncc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737589709 599257930 /nfs/dbraw/zinc/25/79/30/599257930.db2.gz DONSLAKFIPSLFK-UHFFFAOYSA-N -1 3 314.265 0.183 20 5 DCBDHM Cn1c(C(=O)Nc2ccncc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000737589709 599257931 /nfs/dbraw/zinc/25/79/31/599257931.db2.gz DONSLAKFIPSLFK-UHFFFAOYSA-N -1 3 314.265 0.183 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)c(-c2nnn[n-]2)c1 ZINC000738370870 598507197 /nfs/dbraw/zinc/50/71/97/598507197.db2.gz RIYNEDVQFYFMBL-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)c(-c2nn[n-]n2)c1 ZINC000738370870 598507199 /nfs/dbraw/zinc/50/71/99/598507199.db2.gz RIYNEDVQFYFMBL-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM C[S@@](=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737175015 598675592 /nfs/dbraw/zinc/67/55/92/598675592.db2.gz ZHWYNWLVSSXGSW-OAQYLSRUSA-N -1 3 311.327 0.350 20 5 DCBDHM C[S@@](=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737175015 598675593 /nfs/dbraw/zinc/67/55/93/598675593.db2.gz ZHWYNWLVSSXGSW-OAQYLSRUSA-N -1 3 311.327 0.350 20 5 DCBDHM CN1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1=O ZINC000736844431 599530611 /nfs/dbraw/zinc/53/06/11/599530611.db2.gz AXLKUSJMEDDFHM-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM 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/nfs/dbraw/zinc/29/63/62/1169296362.db2.gz LIJXAKLUIFMYOM-UHFFFAOYSA-N -1 3 305.298 0.711 20 5 DCBDHM C[C@@H](O)C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603696160 1169362674 /nfs/dbraw/zinc/36/26/74/1169362674.db2.gz OUOHLGRIAFAWEF-PSASIEDQSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@@H](O)C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603696160 1169362684 /nfs/dbraw/zinc/36/26/84/1169362684.db2.gz OUOHLGRIAFAWEF-PSASIEDQSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H]1O ZINC001603908325 1169429918 /nfs/dbraw/zinc/42/99/18/1169429918.db2.gz BTNOBUVTNUQRAI-OIBJUYFYSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H]1O ZINC001603908325 1169429925 /nfs/dbraw/zinc/42/99/25/1169429925.db2.gz BTNOBUVTNUQRAI-OIBJUYFYSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC001603910817 1169430748 /nfs/dbraw/zinc/43/07/48/1169430748.db2.gz XVCLIQFFTLTGBL-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC001603910817 1169430751 /nfs/dbraw/zinc/43/07/51/1169430751.db2.gz XVCLIQFFTLTGBL-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(C)C(=O)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603933529 1169441686 /nfs/dbraw/zinc/44/16/86/1169441686.db2.gz WSDRTCFNJMZZPE-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001604111516 1169495672 /nfs/dbraw/zinc/49/56/72/1169495672.db2.gz GCFJRPRWDYXVLP-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001604111516 1169495678 /nfs/dbraw/zinc/49/56/78/1169495678.db2.gz GCFJRPRWDYXVLP-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CCN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1=O ZINC001604339810 1169558225 /nfs/dbraw/zinc/55/82/25/1169558225.db2.gz CZZCVAVZQQCTCC-SNVBAGLBSA-N -1 3 317.309 0.808 20 5 DCBDHM COC[C@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001605056612 1169797661 /nfs/dbraw/zinc/79/76/61/1169797661.db2.gz SGISBRJNYGLVSV-QMMMGPOBSA-N -1 3 309.286 0.243 20 5 DCBDHM COC[C@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001605056612 1169797665 /nfs/dbraw/zinc/79/76/65/1169797665.db2.gz SGISBRJNYGLVSV-QMMMGPOBSA-N -1 3 309.286 0.243 20 5 DCBDHM COCC[C@@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605078823 1169812549 /nfs/dbraw/zinc/81/25/49/1169812549.db2.gz MOUGCXWIOWDQTH-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605078823 1169812560 /nfs/dbraw/zinc/81/25/60/1169812560.db2.gz MOUGCXWIOWDQTH-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM O=[N+]([O-])c1cc(NCCn2cnnc2)ccc1-c1nnn[n-]1 ZINC001607078852 1170383030 /nfs/dbraw/zinc/38/30/30/1170383030.db2.gz AHLWUBIQYLEVTQ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCCc1nnc[nH]1 ZINC001607088549 1170387597 /nfs/dbraw/zinc/38/75/97/1170387597.db2.gz RVGQPNMVSAVKNH-UHFFFAOYSA-N -1 3 321.326 0.999 20 5 DCBDHM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCCc1nnc[nH]1 ZINC001607088549 1170387600 /nfs/dbraw/zinc/38/76/00/1170387600.db2.gz RVGQPNMVSAVKNH-UHFFFAOYSA-N -1 3 321.326 0.999 20 5 DCBDHM C[C@H](O)C[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609128709 1170819759 /nfs/dbraw/zinc/81/97/59/1170819759.db2.gz RYSBZMKRZCXOOF-YUMQZZPRSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@H](O)C[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609128709 1170819766 /nfs/dbraw/zinc/81/97/66/1170819766.db2.gz RYSBZMKRZCXOOF-YUMQZZPRSA-N -1 3 307.314 0.989 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)n1 ZINC001643194201 1171968912 /nfs/dbraw/zinc/96/89/12/1171968912.db2.gz RBYRMYYICWJJQF-UHFFFAOYSA-N -1 3 319.325 0.459 20 5 DCBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC001644223836 1172000426 /nfs/dbraw/zinc/00/04/26/1172000426.db2.gz ZXWASVNOAKAADG-UHFFFAOYSA-N -1 3 320.309 0.647 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647857845 1173058504 /nfs/dbraw/zinc/05/85/04/1173058504.db2.gz CFCZVRVQAAXPRM-ZYHUDNBSSA-N -1 3 320.305 0.256 20 5 DCBDHM CN(CCNC(=O)CCCF)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100258957 766797248 /nfs/dbraw/zinc/79/72/48/766797248.db2.gz YWDVMWPHNFOGAF-UHFFFAOYSA-N -1 3 300.290 0.998 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cncnc1 ZINC001093563025 768651749 /nfs/dbraw/zinc/65/17/49/768651749.db2.gz RYMUMSYLFAHWFU-UHFFFAOYSA-N -1 3 304.266 0.327 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccnnc1 ZINC001094812684 769292549 /nfs/dbraw/zinc/29/25/49/769292549.db2.gz NCKPJPGJJIHGGB-UHFFFAOYSA-N -1 3 318.293 0.717 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001156280086 770771340 /nfs/dbraw/zinc/77/13/40/770771340.db2.gz XISMDRRIDLLSBL-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM NCc1nc(=O)[n-]n1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001157933413 771696524 /nfs/dbraw/zinc/69/65/24/771696524.db2.gz WCFHIOUUYLTNOT-UHFFFAOYSA-N -1 3 321.684 0.936 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c([N+](=O)[O-])s1 ZINC001188337546 772289192 /nfs/dbraw/zinc/28/91/92/772289192.db2.gz RRYDPMPABYCHPL-SNVBAGLBSA-N -1 3 322.364 0.394 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001475095659 947309640 /nfs/dbraw/zinc/30/96/40/947309640.db2.gz NIBNAFGBXKOHIK-ZCFIWIBFSA-N -1 3 308.337 0.805 20 5 DCBDHM COC[C@@H](O)CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001463462747 1013134331 /nfs/dbraw/zinc/13/43/31/1013134331.db2.gz JXYOSZGZBHWGPJ-QMMMGPOBSA-N -1 3 324.380 0.640 20 5 DCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCc2c(=O)[n-]cnc21 ZINC001288089071 956581300 /nfs/dbraw/zinc/58/13/00/956581300.db2.gz YCXBBYJXAFDKQJ-UHFFFAOYSA-N -1 3 318.293 0.656 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001303232645 960046197 /nfs/dbraw/zinc/04/61/97/960046197.db2.gz CHCTZSODHUCDBB-UHFFFAOYSA-N -1 3 317.309 0.598 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001303232645 960046206 /nfs/dbraw/zinc/04/62/06/960046206.db2.gz CHCTZSODHUCDBB-UHFFFAOYSA-N -1 3 317.309 0.598 20 5 DCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COCO1 ZINC001309571479 960200274 /nfs/dbraw/zinc/20/02/74/960200274.db2.gz WEPCTBDFFYQXMQ-MRVPVSSYSA-N -1 3 322.726 0.899 20 5 DCBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001472080374 1016720708 /nfs/dbraw/zinc/72/07/08/1016720708.db2.gz PFKPKUULWDMBHJ-SECBINFHSA-N -1 3 307.306 0.503 20 5 DCBDHM Cc1noc(CN2CCC(Cc3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC001560114711 1012440443 /nfs/dbraw/zinc/44/04/43/1012440443.db2.gz XZZYFTGWBIJWKI-UHFFFAOYSA-N -1 3 307.314 0.859 20 5 DCBDHM Cc1noc(CN2CCC(Cc3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC001560114711 1012440450 /nfs/dbraw/zinc/44/04/50/1012440450.db2.gz XZZYFTGWBIJWKI-UHFFFAOYSA-N -1 3 307.314 0.859 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CC(=O)N(C)C)c([N+](=O)[O-])s1 ZINC001661120381 1174096542 /nfs/dbraw/zinc/09/65/42/1174096542.db2.gz GQGSASIYYSZHKF-UHFFFAOYSA-N -1 3 307.353 0.331 20 5 DCBDHM COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179482332 199043424 /nfs/dbraw/zinc/04/34/24/199043424.db2.gz AMIUQWAWQHHDCK-UHFFFAOYSA-N -1 3 311.338 0.951 20 5 DCBDHM CCC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000275412547 212318228 /nfs/dbraw/zinc/31/82/28/212318228.db2.gz PMXQNXHXGXITBL-UHFFFAOYSA-N -1 3 302.308 0.861 20 5 DCBDHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000282659153 217158835 /nfs/dbraw/zinc/15/88/35/217158835.db2.gz VFKSPIUYXXMQND-LJQANCHMSA-N -1 3 318.376 0.784 20 5 DCBDHM O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000288641287 220314963 /nfs/dbraw/zinc/31/49/63/220314963.db2.gz XJUOGBPDHSHVCS-LBPRGKRZSA-N -1 3 323.349 0.877 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000342501467 253504046 /nfs/dbraw/zinc/50/40/46/253504046.db2.gz CLTNCOXYLFIDTG-JTQLQIEISA-N -1 3 322.364 0.394 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccncn1 ZINC000346530768 254063766 /nfs/dbraw/zinc/06/37/66/254063766.db2.gz DBESDBZTTFNRPA-UHFFFAOYSA-N -1 3 324.318 0.872 20 5 DCBDHM COC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000219853287 395847254 /nfs/dbraw/zinc/84/72/54/395847254.db2.gz UADRWUWZIDVBIS-QMMMGPOBSA-N -1 3 322.314 0.410 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCO ZINC000234812861 395890747 /nfs/dbraw/zinc/89/07/47/395890747.db2.gz LHKVTHGIYSMRHD-UHFFFAOYSA-N -1 3 304.324 0.654 20 5 DCBDHM CCN(C)C(=O)C[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274778714 395976107 /nfs/dbraw/zinc/97/61/07/395976107.db2.gz OPWSEGAGRMQHPF-UHFFFAOYSA-N -1 3 321.380 0.950 20 5 DCBDHM Cc1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000068195362 396049444 /nfs/dbraw/zinc/04/94/44/396049444.db2.gz QLOKXPPYNDZZKA-VIFPVBQESA-N -1 3 306.278 0.830 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)C2CC2)c1 ZINC000171332944 396114387 /nfs/dbraw/zinc/11/43/87/396114387.db2.gz FTZUIRGMSMSBAF-UHFFFAOYSA-N -1 3 301.324 0.903 20 5 DCBDHM CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280854032 396225533 /nfs/dbraw/zinc/22/55/33/396225533.db2.gz WWBBJJAINYOYBN-SECBINFHSA-N -1 3 315.351 0.788 20 5 DCBDHM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]Cc1n[nH]c(C2CC2)n1 ZINC000594777240 396512559 /nfs/dbraw/zinc/51/25/59/396512559.db2.gz PNANQZLXADFEGK-UHFFFAOYSA-N -1 3 324.322 0.464 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110613 396567444 /nfs/dbraw/zinc/56/74/44/396567444.db2.gz IWWKJUDCJJJXFA-MNOVXSKESA-N -1 3 322.321 0.288 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]12 ZINC000595403337 396603442 /nfs/dbraw/zinc/60/34/42/396603442.db2.gz LRBQJSBJPYKVGB-LLVKDONJSA-N -1 3 308.269 0.470 20 5 DCBDHM Cc1sc(C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595946854 396690878 /nfs/dbraw/zinc/69/08/78/396690878.db2.gz IZUPNPCJAYJDSG-UHFFFAOYSA-N -1 3 323.334 0.849 20 5 DCBDHM O=C(N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295527290 396699310 /nfs/dbraw/zinc/69/93/10/396699310.db2.gz RAEQIRBHHHFTCS-LBPRGKRZSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C([C@@H]1CCCO1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596052897 396712917 /nfs/dbraw/zinc/71/29/17/396712917.db2.gz AVAAGVNDXADGOQ-NSHDSACASA-N -1 3 322.321 0.523 20 5 DCBDHM O=C(COc1cccc([N+](=O)[O-])c1)[N-]c1nnc2[nH]cnn12 ZINC000590379877 396764245 /nfs/dbraw/zinc/76/42/45/396764245.db2.gz SXMIHEWAJXPNOK-UHFFFAOYSA-N -1 3 303.238 0.378 20 5 DCBDHM CN(C)C[C@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597654207 397046455 /nfs/dbraw/zinc/04/64/55/397046455.db2.gz PQPMPHPFHMGKDY-MRVPVSSYSA-N -1 3 317.729 0.606 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CO)CCF ZINC000593657410 397420745 /nfs/dbraw/zinc/42/07/45/397420745.db2.gz RODLGVKBOSYVEQ-MRVPVSSYSA-N -1 3 322.314 0.602 20 5 DCBDHM CCOC[C@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000315387177 286174894 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CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000352501000 415197873 /nfs/dbraw/zinc/19/78/73/415197873.db2.gz RTCABMJWCBLZNZ-SECBINFHSA-N -1 3 319.314 0.666 20 5 DCBDHM COc1cc(CNC[C@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1[O-] ZINC000353690966 415627427 /nfs/dbraw/zinc/62/74/27/415627427.db2.gz SLOBMKXGTPXGRO-GHMZBOCLSA-N -1 3 312.322 0.939 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]Cc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000125838937 415870218 /nfs/dbraw/zinc/87/02/18/415870218.db2.gz QINRZMMOSOXSHW-UHFFFAOYSA-N -1 3 317.352 0.572 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000344501289 415930637 /nfs/dbraw/zinc/93/06/37/415930637.db2.gz QVDZXDULTMKSKA-MRVPVSSYSA-N -1 3 302.308 0.743 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(N)=O)cc1C ZINC000299079108 416050892 /nfs/dbraw/zinc/05/08/92/416050892.db2.gz YETXZVVTKGBSCA-MRVPVSSYSA-N -1 3 301.324 0.364 20 5 DCBDHM O=C(Cc1[nH]c(O)nc1O)Nc1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000345053736 416035358 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304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001590311493 1166856013 /nfs/dbraw/zinc/85/60/13/1166856013.db2.gz HBHMCWPCKONBLP-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001590311493 1166856023 /nfs/dbraw/zinc/85/60/23/1166856023.db2.gz HBHMCWPCKONBLP-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC001590731670 1166988684 /nfs/dbraw/zinc/98/86/84/1166988684.db2.gz AQOMICBYSPEGKI-NSHDSACASA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC001590731670 1166988689 /nfs/dbraw/zinc/98/86/89/1166988689.db2.gz AQOMICBYSPEGKI-NSHDSACASA-N -1 3 317.309 0.808 20 5 DCBDHM CN(Cc1ncc[nH]1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591152800 1167119637 /nfs/dbraw/zinc/11/96/37/1167119637.db2.gz OIWKNKYPKUJTME-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CN(Cc1ncc[nH]1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591152800 1167119640 /nfs/dbraw/zinc/11/96/40/1167119640.db2.gz OIWKNKYPKUJTME-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CO[C@@](C)(CO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591318936 1167213625 /nfs/dbraw/zinc/21/36/25/1167213625.db2.gz POKBPYHEJKEGEZ-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@@](C)(CO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591318936 1167213633 /nfs/dbraw/zinc/21/36/33/1167213633.db2.gz POKBPYHEJKEGEZ-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591354107 1167231173 /nfs/dbraw/zinc/23/11/73/1167231173.db2.gz JXKNGQVYLIPSFQ-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CO[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591354107 1167231177 /nfs/dbraw/zinc/23/11/77/1167231177.db2.gz JXKNGQVYLIPSFQ-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CON1CCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591467124 1167298880 /nfs/dbraw/zinc/29/88/80/1167298880.db2.gz JNBSPDWVFWIUJN-UHFFFAOYSA-N -1 3 319.325 0.454 20 5 DCBDHM CON1CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591467124 1167298884 /nfs/dbraw/zinc/29/88/84/1167298884.db2.gz JNBSPDWVFWIUJN-UHFFFAOYSA-N -1 3 319.325 0.454 20 5 DCBDHM CON1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591468529 1167301149 /nfs/dbraw/zinc/30/11/49/1167301149.db2.gz QNAUIEVWXCNRKF-UHFFFAOYSA-N -1 3 320.313 0.608 20 5 DCBDHM CON1CCC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591468529 1167301154 /nfs/dbraw/zinc/30/11/54/1167301154.db2.gz QNAUIEVWXCNRKF-UHFFFAOYSA-N -1 3 320.313 0.608 20 5 DCBDHM COc1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591517906 1167319945 /nfs/dbraw/zinc/31/99/45/1167319945.db2.gz DSOYEEIOZXIECL-SSDOTTSWSA-N -1 3 307.266 0.697 20 5 DCBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)N(C)C ZINC001591770689 1167371780 /nfs/dbraw/zinc/37/17/80/1167371780.db2.gz GSLKIUKYXNAQSS-ZETCQYMHSA-N -1 3 305.298 0.664 20 5 DCBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)N(C)C ZINC001591770689 1167371784 /nfs/dbraw/zinc/37/17/84/1167371784.db2.gz GSLKIUKYXNAQSS-ZETCQYMHSA-N -1 3 305.298 0.664 20 5 DCBDHM Cc1nonc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592467170 1167531214 /nfs/dbraw/zinc/53/12/14/1167531214.db2.gz YMVLCYOEAGWKIK-UHFFFAOYSA-N -1 3 303.242 0.473 20 5 DCBDHM Cc1nonc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592467170 1167531221 /nfs/dbraw/zinc/53/12/21/1167531221.db2.gz YMVLCYOEAGWKIK-UHFFFAOYSA-N -1 3 303.242 0.473 20 5 DCBDHM Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592612440 1167583551 /nfs/dbraw/zinc/58/35/51/1167583551.db2.gz HANZNCGQDPABOW-UHFFFAOYSA-N -1 3 305.283 0.450 20 5 DCBDHM Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592612440 1167583558 /nfs/dbraw/zinc/58/35/58/1167583558.db2.gz HANZNCGQDPABOW-UHFFFAOYSA-N -1 3 305.283 0.450 20 5 DCBDHM NC(CCO)=NOCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592739201 1167623150 /nfs/dbraw/zinc/62/31/50/1167623150.db2.gz LHTLITWSQNVKRY-UHFFFAOYSA-N -1 3 307.270 0.156 20 5 DCBDHM NC(CCO)=NOCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592739201 1167623153 /nfs/dbraw/zinc/62/31/53/1167623153.db2.gz LHTLITWSQNVKRY-UHFFFAOYSA-N -1 3 307.270 0.156 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CC[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001592757122 1167633743 /nfs/dbraw/zinc/63/37/43/1167633743.db2.gz IFOIIKSTBXBNMS-JGVFFNPUSA-N -1 3 319.325 0.930 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001592757122 1167633747 /nfs/dbraw/zinc/63/37/47/1167633747.db2.gz IFOIIKSTBXBNMS-JGVFFNPUSA-N -1 3 319.325 0.930 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001592937845 1167668101 /nfs/dbraw/zinc/66/81/01/1167668101.db2.gz QVKZQRPEMFDVNB-UHFFFAOYSA-N -1 3 315.249 0.577 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001593407903 1167813822 /nfs/dbraw/zinc/81/38/22/1167813822.db2.gz HIPZTMOKDZZNKC-SECBINFHSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001593407903 1167813837 /nfs/dbraw/zinc/81/38/37/1167813837.db2.gz HIPZTMOKDZZNKC-SECBINFHSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCN1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593409959 1167821005 /nfs/dbraw/zinc/82/10/05/1167821005.db2.gz VWIVGYUDRFBJCJ-UHFFFAOYSA-N -1 3 318.297 0.212 20 5 DCBDHM O=C1NCCN1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593409959 1167821010 /nfs/dbraw/zinc/82/10/10/1167821010.db2.gz VWIVGYUDRFBJCJ-UHFFFAOYSA-N -1 3 318.297 0.212 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCc2c[nH]nc2C1 ZINC001593470204 1167858470 /nfs/dbraw/zinc/85/84/70/1167858470.db2.gz KPJJSPQQECFCJL-UHFFFAOYSA-N -1 3 313.281 0.456 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC[C@@H](O)C1 ZINC001593468431 1167858496 /nfs/dbraw/zinc/85/84/96/1167858496.db2.gz LEUMZTXQMMXHIA-SSDOTTSWSA-N -1 3 308.273 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC[C@@H](O)C1 ZINC001593468431 1167858499 /nfs/dbraw/zinc/85/84/99/1167858499.db2.gz LEUMZTXQMMXHIA-SSDOTTSWSA-N -1 3 308.273 0.875 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@]3(CO)C2)c(-c2nnn[n-]2)c1 ZINC001593475998 1167860700 /nfs/dbraw/zinc/86/07/00/1167860700.db2.gz HXFNNEDWHHSSOH-OQPBUACISA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@]3(CO)C2)c(-c2nn[n-]n2)c1 ZINC001593475998 1167860710 /nfs/dbraw/zinc/86/07/10/1167860710.db2.gz HXFNNEDWHHSSOH-OQPBUACISA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1-n1cnc(CCCO)c1 ZINC001593475999 1167863173 /nfs/dbraw/zinc/86/31/73/1167863173.db2.gz TXZUJHRZPWBUKP-UHFFFAOYSA-N -1 3 315.293 0.886 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1-n1cnc(CCCO)c1 ZINC001593475999 1167863178 /nfs/dbraw/zinc/86/31/78/1167863178.db2.gz TXZUJHRZPWBUKP-UHFFFAOYSA-N -1 3 315.293 0.886 20 5 DCBDHM O=[N+]([O-])c1cc(N2CC[C@@]3(O)C[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001593472174 1167864770 /nfs/dbraw/zinc/86/47/70/1167864770.db2.gz WYKPAEJCRJVLDO-ISVAXAHUSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCC(O)(CO)CC2)ccc1-c1nnn[n-]1 ZINC001593472256 1167865084 /nfs/dbraw/zinc/86/50/84/1167865084.db2.gz ZIKBAIXOXGNFHR-UHFFFAOYSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](O)[C@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001593486402 1167869858 /nfs/dbraw/zinc/86/98/58/1167869858.db2.gz RKBPCRVSJLYNKM-BDAKNGLRSA-N -1 3 309.261 0.079 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](O)[C@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001593486402 1167869873 /nfs/dbraw/zinc/86/98/73/1167869873.db2.gz RKBPCRVSJLYNKM-BDAKNGLRSA-N -1 3 309.261 0.079 20 5 DCBDHM CCc1nccn1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001595407441 1167971295 /nfs/dbraw/zinc/97/12/95/1167971295.db2.gz WUHMQNOSAYIACY-UHFFFAOYSA-N -1 3 305.294 0.884 20 5 DCBDHM O=C([O-])CN1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001602062424 1168981729 /nfs/dbraw/zinc/98/17/29/1168981729.db2.gz SIWLECJPHBFFMS-UHFFFAOYSA-N -1 3 313.285 0.433 20 5 DCBDHM CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602945005 1169216210 /nfs/dbraw/zinc/21/62/10/1169216210.db2.gz LXFZNKFSTVHYQZ-NSCUHMNNSA-N -1 3 317.309 0.879 20 5 DCBDHM CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602945005 1169216214 /nfs/dbraw/zinc/21/62/14/1169216214.db2.gz LXFZNKFSTVHYQZ-NSCUHMNNSA-N -1 3 317.309 0.879 20 5 DCBDHM CC(C)C1(O)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603240344 1169281487 /nfs/dbraw/zinc/28/14/87/1169281487.db2.gz BNQQDPFGDJFFTJ-UHFFFAOYSA-N -1 3 305.298 0.377 20 5 DCBDHM CC(C)C1(O)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603240344 1169281499 /nfs/dbraw/zinc/28/14/99/1169281499.db2.gz BNQQDPFGDJFFTJ-UHFFFAOYSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H](C[S@@](C)=O)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603571894 1169326794 /nfs/dbraw/zinc/32/67/94/1169326794.db2.gz KHYPWFDNYCPSFP-MWAODPMSSA-N -1 3 310.339 0.954 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603954354 1169451038 /nfs/dbraw/zinc/45/10/38/1169451038.db2.gz NYAXVDKQAWJTOX-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603954354 1169451041 /nfs/dbraw/zinc/45/10/41/1169451041.db2.gz NYAXVDKQAWJTOX-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM CCN1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001604336133 1169556403 /nfs/dbraw/zinc/55/64/03/1169556403.db2.gz OQWNGJHGFMJPTH-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CCN1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001604336133 1169556407 /nfs/dbraw/zinc/55/64/07/1169556407.db2.gz OQWNGJHGFMJPTH-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CCn1cnnc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604615504 1169631689 /nfs/dbraw/zinc/63/16/89/1169631689.db2.gz RKLXJQATTKDFBN-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1cnnc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604615504 1169631705 /nfs/dbraw/zinc/63/17/05/1169631705.db2.gz RKLXJQATTKDFBN-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(CC1=CCCOC1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604728538 1169664839 /nfs/dbraw/zinc/66/48/39/1169664839.db2.gz TWDYXSKJAZCYHZ-UHFFFAOYSA-N -1 3 317.309 0.953 20 5 DCBDHM CN(CC1=CCCOC1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604728538 1169664841 /nfs/dbraw/zinc/66/48/41/1169664841.db2.gz TWDYXSKJAZCYHZ-UHFFFAOYSA-N -1 3 317.309 0.953 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001606276882 1170144826 /nfs/dbraw/zinc/14/48/26/1170144826.db2.gz BISCPAVPSXGDTM-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001606276882 1170144832 /nfs/dbraw/zinc/14/48/32/1170144832.db2.gz BISCPAVPSXGDTM-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM NC(=O)CC1CC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606410624 1170190403 /nfs/dbraw/zinc/19/04/03/1170190403.db2.gz ISOYGZVPCJKZSG-UHFFFAOYSA-N -1 3 318.297 0.236 20 5 DCBDHM NC(=O)CC1CC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606410624 1170190409 /nfs/dbraw/zinc/19/04/09/1170190409.db2.gz ISOYGZVPCJKZSG-UHFFFAOYSA-N -1 3 318.297 0.236 20 5 DCBDHM O=C1CCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1 ZINC001607045788 1170367279 /nfs/dbraw/zinc/36/72/79/1170367279.db2.gz LDHKJMKHWUGIRL-UHFFFAOYSA-N -1 3 317.309 0.097 20 5 DCBDHM O=C1CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1 ZINC001607045788 1170367285 /nfs/dbraw/zinc/36/72/85/1170367285.db2.gz LDHKJMKHWUGIRL-UHFFFAOYSA-N -1 3 317.309 0.097 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCc2cn[nH]c2)c(-c2nnn[n-]2)c1 ZINC001607086280 1170384365 /nfs/dbraw/zinc/38/43/65/1170384365.db2.gz KIAVMSRLLHGCRT-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCc2cn[nH]c2)c(-c2nn[n-]n2)c1 ZINC001607086280 1170384372 /nfs/dbraw/zinc/38/43/72/1170384372.db2.gz KIAVMSRLLHGCRT-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@H]2COC[C@@H]2C1 ZINC001607080943 1170384487 /nfs/dbraw/zinc/38/44/87/1170384487.db2.gz VFSREFCAGPANDT-WPRPVWTQSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@H]2COC[C@@H]2C1 ZINC001607080943 1170384492 /nfs/dbraw/zinc/38/44/92/1170384492.db2.gz VFSREFCAGPANDT-WPRPVWTQSA-N -1 3 317.309 0.643 20 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NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001164370897 772651193 /nfs/dbraw/zinc/65/11/93/772651193.db2.gz PFPPMSLDISNYKS-ZETCQYMHSA-N -1 3 306.282 0.013 20 5 DCBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001321003903 946115040 /nfs/dbraw/zinc/11/50/40/946115040.db2.gz GTKMYPIPJGVRNS-UHFFFAOYSA-N -1 3 315.289 0.871 20 5 DCBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001328693706 949031332 /nfs/dbraw/zinc/03/13/32/949031332.db2.gz NLWHOGBJKJFKDV-SCZZXKLOSA-N -1 3 301.324 0.836 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575184802 952424438 /nfs/dbraw/zinc/42/44/38/952424438.db2.gz CRSDICVNYZYVMI-WERWIIQRSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575184802 952424440 /nfs/dbraw/zinc/42/44/40/952424440.db2.gz CRSDICVNYZYVMI-WERWIIQRSA-N -1 3 311.327 0.349 20 5 DCBDHM Cc1nnc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1C ZINC001307153872 957201020 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O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000348630171 254247786 /nfs/dbraw/zinc/24/77/86/254247786.db2.gz NTBKFFBDHPGIAX-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000348630171 254247787 /nfs/dbraw/zinc/24/77/87/254247787.db2.gz NTBKFFBDHPGIAX-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123264002 395893004 /nfs/dbraw/zinc/89/30/04/395893004.db2.gz GZHXGXNPORRRRI-RXMQYKEDSA-N -1 3 307.353 0.378 20 5 DCBDHM CN1CCC(O)(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272516624 395896626 /nfs/dbraw/zinc/89/66/26/395896626.db2.gz KSRWECGBUWDWEH-UHFFFAOYSA-N -1 3 309.322 0.487 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC ZINC000273574535 395931118 /nfs/dbraw/zinc/93/11/18/395931118.db2.gz FUELXJGYEPCASH-NSHDSACASA-N -1 3 318.351 0.676 20 5 DCBDHM COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184754243 396305090 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O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368020161 159371242 /nfs/dbraw/zinc/37/12/42/159371242.db2.gz OHSIDDYCCOIASO-RYUDHWBXSA-N -1 3 321.333 0.893 20 5 DCBDHM CN(C)CCn1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294112516 287139178 /nfs/dbraw/zinc/13/91/78/287139178.db2.gz PDQATJRKUKPZHV-UHFFFAOYSA-N -1 3 320.309 0.706 20 5 DCBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000352502004 415199578 /nfs/dbraw/zinc/19/95/78/415199578.db2.gz YWGXKKOFCHBNKU-MRVPVSSYSA-N -1 3 301.324 0.527 20 5 DCBDHM O=C(NCCN1CCCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275931437 415394841 /nfs/dbraw/zinc/39/48/41/415394841.db2.gz WEZUVAVFCSLOIF-UHFFFAOYSA-N -1 3 310.310 0.148 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCN2C)c([N+](=O)[O-])n1 ZINC000353056409 415422228 /nfs/dbraw/zinc/42/22/28/415422228.db2.gz KCCIQLXEGKZWBZ-SECBINFHSA-N -1 3 317.371 0.184 20 5 DCBDHM Cc1c(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cccc1[N+](=O)[O-] ZINC000344046017 415828074 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Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000360544347 416395304 /nfs/dbraw/zinc/39/53/04/416395304.db2.gz PZGUBWCPNGZXDJ-UHFFFAOYSA-N -1 3 305.176 0.718 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000360544347 416395306 /nfs/dbraw/zinc/39/53/06/416395306.db2.gz PZGUBWCPNGZXDJ-UHFFFAOYSA-N -1 3 305.176 0.718 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000355325241 261331332 /nfs/dbraw/zinc/33/13/32/261331332.db2.gz NSOLXCYXSRKDFQ-DXTPNHAXSA-N -1 3 316.317 0.844 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000360029391 271159912 /nfs/dbraw/zinc/15/99/12/271159912.db2.gz MXMCOZUQPYYMRH-LURJTMIESA-N -1 3 321.380 0.720 20 5 DCBDHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531061319 287766638 /nfs/dbraw/zinc/76/66/38/287766638.db2.gz DHHJHCPRVMAHLB-UHFFFAOYSA-N -1 3 305.250 0.308 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000349188596 280279133 /nfs/dbraw/zinc/27/91/33/280279133.db2.gz BSBTUCRXJQXKIV-JTQLQIEISA-N -1 3 310.697 0.989 20 5 DCBDHM CC(C)[C@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000285459760 280516469 /nfs/dbraw/zinc/51/64/69/280516469.db2.gz ZEHLTMRQRIYQSM-LBPRGKRZSA-N -1 3 315.351 0.773 20 5 DCBDHM CCN(C)CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000299619036 527800868 /nfs/dbraw/zinc/80/08/68/527800868.db2.gz KYLFTZBQVMVMTF-UHFFFAOYSA-N -1 3 317.367 0.833 20 5 DCBDHM CC[S@](=O)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736663324 598895545 /nfs/dbraw/zinc/89/55/45/598895545.db2.gz DKJNRFVHTIRWQP-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@](=O)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736663324 598895546 /nfs/dbraw/zinc/89/55/46/598895546.db2.gz DKJNRFVHTIRWQP-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM CO[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736962225 598552439 /nfs/dbraw/zinc/55/24/39/598552439.db2.gz OFGDWBJDQXFSCY-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CO[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736962225 598552440 /nfs/dbraw/zinc/55/24/40/598552440.db2.gz OFGDWBJDQXFSCY-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1-n1cnc(CCCO)c1 ZINC000738358652 598628800 /nfs/dbraw/zinc/62/88/00/598628800.db2.gz NWTCOKXZZJDVBC-UHFFFAOYSA-N -1 3 315.293 0.886 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1-n1cnc(CCCO)c1 ZINC000738358652 598628801 /nfs/dbraw/zinc/62/88/01/598628801.db2.gz NWTCOKXZZJDVBC-UHFFFAOYSA-N -1 3 315.293 0.886 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](CO)C2)c(-c2nnn[n-]2)c1 ZINC000823648617 599407379 /nfs/dbraw/zinc/40/73/79/599407379.db2.gz YVWZJIJYZFEXMF-QMMMGPOBSA-N -1 3 305.298 0.379 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](CO)C2)c(-c2nn[n-]n2)c1 ZINC000823648617 599407380 /nfs/dbraw/zinc/40/73/80/599407380.db2.gz YVWZJIJYZFEXMF-QMMMGPOBSA-N -1 3 305.298 0.379 20 5 DCBDHM CNC(=O)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821631206 607382925 /nfs/dbraw/zinc/38/29/25/607382925.db2.gz BCQAWAZWAVCMCI-LLVKDONJSA-N -1 3 319.325 0.957 20 5 DCBDHM CNC(=O)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000821631206 607382927 /nfs/dbraw/zinc/38/29/27/607382927.db2.gz BCQAWAZWAVCMCI-LLVKDONJSA-N -1 3 319.325 0.957 20 5 DCBDHM CCOC(=O)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821315288 606428739 /nfs/dbraw/zinc/42/87/39/606428739.db2.gz RPGVHFIWEKAAGE-SSDOTTSWSA-N -1 3 321.297 0.781 20 5 DCBDHM CCOC(=O)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821315288 606428741 /nfs/dbraw/zinc/42/87/41/606428741.db2.gz RPGVHFIWEKAAGE-SSDOTTSWSA-N -1 3 321.297 0.781 20 5 DCBDHM C[C@H]1COCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000825005597 607822574 /nfs/dbraw/zinc/82/25/74/607822574.db2.gz ADGGRYZGWSAERC-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM C[C@H]1COCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000825005597 607822575 /nfs/dbraw/zinc/82/25/75/607822575.db2.gz ADGGRYZGWSAERC-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM C[C@@H](CO)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824440181 607967178 /nfs/dbraw/zinc/96/71/78/607967178.db2.gz AVIJUNXJWCKGGI-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@@H](CO)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824440181 607967179 /nfs/dbraw/zinc/96/71/79/607967179.db2.gz AVIJUNXJWCKGGI-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC000825210775 608017660 /nfs/dbraw/zinc/01/76/60/608017660.db2.gz JAYMWZHLPXCBDU-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC000825210775 608017661 /nfs/dbraw/zinc/01/76/61/608017661.db2.gz JAYMWZHLPXCBDU-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824843144 608304660 /nfs/dbraw/zinc/30/46/60/608304660.db2.gz ALJJLSSSKDPOEQ-LBPRGKRZSA-N -1 3 305.298 0.521 20 5 DCBDHM C[C@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824843144 608304662 /nfs/dbraw/zinc/30/46/62/608304662.db2.gz ALJJLSSSKDPOEQ-LBPRGKRZSA-N -1 3 305.298 0.521 20 5 DCBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)OCCO1 ZINC000824830832 608552003 /nfs/dbraw/zinc/55/20/03/608552003.db2.gz LZSFBBZBJYBKIO-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)OCCO1 ZINC000824830832 608552005 /nfs/dbraw/zinc/55/20/05/608552005.db2.gz LZSFBBZBJYBKIO-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM COc1c([O-])ccc(CN2CCN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000893709658 661354062 /nfs/dbraw/zinc/35/40/62/661354062.db2.gz AFHBHCKXMGELAE-VIFPVBQESA-N -1 3 309.322 0.972 20 5 DCBDHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854486802 670576347 /nfs/dbraw/zinc/57/63/47/670576347.db2.gz AFUSSMQDQHEMJZ-CYBMUJFWSA-N -1 3 320.305 0.401 20 5 DCBDHM COC(=O)c1cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c[n-]1 ZINC000814529390 670693480 /nfs/dbraw/zinc/69/34/80/670693480.db2.gz CCYCJTACGFZQSC-UHFFFAOYSA-N -1 3 308.250 0.763 20 5 DCBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126441 670970082 /nfs/dbraw/zinc/97/00/82/670970082.db2.gz OHHHDTFHBAJVCE-QMMMGPOBSA-N -1 3 310.372 0.549 20 5 DCBDHM Nc1ncc(C(=O)[N-]N2Cc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC001447568534 1159662710 /nfs/dbraw/zinc/66/27/10/1159662710.db2.gz NMNURTJAQYLWEB-UHFFFAOYSA-N -1 3 313.273 0.873 20 5 DCBDHM Nc1ccn(Cc2cccc(-c3nnn[n-]3)c2)c(=O)c1[N+](=O)[O-] ZINC001581909669 1165911994 /nfs/dbraw/zinc/91/19/94/1165911994.db2.gz OWNPDVIJCCVFKY-UHFFFAOYSA-N -1 3 313.277 0.567 20 5 DCBDHM Nc1ccn(Cc2cccc(-c3nn[n-]n3)c2)c(=O)c1[N+](=O)[O-] ZINC001581909669 1165911998 /nfs/dbraw/zinc/91/19/98/1165911998.db2.gz OWNPDVIJCCVFKY-UHFFFAOYSA-N -1 3 313.277 0.567 20 5 DCBDHM C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001589888582 1166711719 /nfs/dbraw/zinc/71/17/19/1166711719.db2.gz BELRIRNHFIEESD-RKDXNWHRSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001589888582 1166711726 /nfs/dbraw/zinc/71/17/26/1166711726.db2.gz BELRIRNHFIEESD-RKDXNWHRSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)NCCF ZINC001589982238 1166734686 /nfs/dbraw/zinc/73/46/86/1166734686.db2.gz MBQSVHHZVOJIJR-ZETCQYMHSA-N -1 3 323.288 0.661 20 5 DCBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)NCCF ZINC001589982238 1166734691 /nfs/dbraw/zinc/73/46/91/1166734691.db2.gz MBQSVHHZVOJIJR-ZETCQYMHSA-N -1 3 323.288 0.661 20 5 DCBDHM CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])OCCO1 ZINC001590133996 1166783739 /nfs/dbraw/zinc/78/37/39/1166783739.db2.gz KHWQMNJTDROKJG-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])OCCO1 ZINC001590133996 1166783747 /nfs/dbraw/zinc/78/37/47/1166783747.db2.gz KHWQMNJTDROKJG-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM CCn1ncnc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590970826 1167064539 /nfs/dbraw/zinc/06/45/39/1167064539.db2.gz FIJBLPJBEKGEHC-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1ncnc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590970826 1167064543 /nfs/dbraw/zinc/06/45/43/1167064543.db2.gz FIJBLPJBEKGEHC-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591063232 1167098368 /nfs/dbraw/zinc/09/83/68/1167098368.db2.gz QYXCSITXKVCPHA-QMMMGPOBSA-N -1 3 319.325 0.830 20 5 DCBDHM CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591063232 1167098374 /nfs/dbraw/zinc/09/83/74/1167098374.db2.gz QYXCSITXKVCPHA-QMMMGPOBSA-N -1 3 319.325 0.830 20 5 DCBDHM CN(CCOCCO)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591114541 1167107056 /nfs/dbraw/zinc/10/70/56/1167107056.db2.gz SNUONPMGRDAFFM-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM CN(CCOCCO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591114541 1167107059 /nfs/dbraw/zinc/10/70/59/1167107059.db2.gz SNUONPMGRDAFFM-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591125213 1167108411 /nfs/dbraw/zinc/10/84/11/1167108411.db2.gz ADNFJPFXYAVYTL-WAAGHKOSSA-N -1 3 304.310 0.982 20 5 DCBDHM CN1CCOC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591195218 1167145824 /nfs/dbraw/zinc/14/58/24/1167145824.db2.gz WVKTXFWXAKDYRL-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCOC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591195218 1167145828 /nfs/dbraw/zinc/14/58/28/1167145828.db2.gz WVKTXFWXAKDYRL-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CNC(=O)CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591206597 1167154110 /nfs/dbraw/zinc/15/41/10/1167154110.db2.gz DTVZJEBMIILRMV-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591253598 1167178709 /nfs/dbraw/zinc/17/87/09/1167178709.db2.gz SCNRXRSHHYTCJN-MRVPVSSYSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591253598 1167178713 /nfs/dbraw/zinc/17/87/13/1167178713.db2.gz SCNRXRSHHYTCJN-MRVPVSSYSA-N -1 3 318.293 0.774 20 5 DCBDHM CON(C)C1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591465988 1167298021 /nfs/dbraw/zinc/29/80/21/1167298021.db2.gz PPVOIAZBMGHGTB-UHFFFAOYSA-N -1 3 320.313 0.039 20 5 DCBDHM CON(C)C1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591465988 1167298028 /nfs/dbraw/zinc/29/80/28/1167298028.db2.gz PPVOIAZBMGHGTB-UHFFFAOYSA-N -1 3 320.313 0.039 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCn2ccnc2)c1-c1nnn[n-]1 ZINC001592756567 1167633523 /nfs/dbraw/zinc/63/35/23/1167633523.db2.gz BNJFKSMKWKOLQU-UHFFFAOYSA-N -1 3 315.297 0.666 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCn2ccnc2)c1-c1nn[n-]n1 ZINC001592756567 1167633528 /nfs/dbraw/zinc/63/35/28/1167633528.db2.gz BNJFKSMKWKOLQU-UHFFFAOYSA-N -1 3 315.297 0.666 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCCCCO)c1-c1nnn[n-]1 ZINC001592758431 1167634819 /nfs/dbraw/zinc/63/48/19/1167634819.db2.gz WPCJKGGCXHMHDZ-UHFFFAOYSA-N -1 3 307.314 0.932 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCCCCO)c1-c1nn[n-]n1 ZINC001592758431 1167634826 /nfs/dbraw/zinc/63/48/26/1167634826.db2.gz WPCJKGGCXHMHDZ-UHFFFAOYSA-N -1 3 307.314 0.932 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC(F)(F)CO)c1-c1nnn[n-]1 ZINC001592757887 1167635425 /nfs/dbraw/zinc/63/54/25/1167635425.db2.gz PRYJDHPOMAXKCQ-UHFFFAOYSA-N -1 3 315.240 0.397 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC(F)(F)CO)c1-c1nn[n-]n1 ZINC001592757887 1167635429 /nfs/dbraw/zinc/63/54/29/1167635429.db2.gz PRYJDHPOMAXKCQ-UHFFFAOYSA-N -1 3 315.240 0.397 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCn2cccn2)c1-c1nnn[n-]1 ZINC001592758103 1167636158 /nfs/dbraw/zinc/63/61/58/1167636158.db2.gz SOXYORUDNGWKNR-UHFFFAOYSA-N -1 3 315.297 0.666 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCn2cccn2)c1-c1nn[n-]n1 ZINC001592758103 1167636164 /nfs/dbraw/zinc/63/61/64/1167636164.db2.gz SOXYORUDNGWKNR-UHFFFAOYSA-N -1 3 315.297 0.666 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@H](CO)C1 ZINC001593480038 1167868513 /nfs/dbraw/zinc/86/85/13/1167868513.db2.gz CWDYJOSVLDKIAY-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@H](CO)C1 ZINC001593480038 1167868524 /nfs/dbraw/zinc/86/85/24/1167868524.db2.gz CWDYJOSVLDKIAY-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC3(C2)CCCOC3)c(-c2nnn[n-]2)c1 ZINC001593486518 1167870955 /nfs/dbraw/zinc/87/09/55/1167870955.db2.gz XAFSGUFGBWRKIZ-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC3(C2)CCCOC3)c(-c2nn[n-]n2)c1 ZINC001593486518 1167870972 /nfs/dbraw/zinc/87/09/72/1167870972.db2.gz XAFSGUFGBWRKIZ-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)c1 ZINC001602403755 1169074226 /nfs/dbraw/zinc/07/42/26/1169074226.db2.gz QQZXKIHSHRGBBB-JTQLQIEISA-N -1 3 307.306 0.860 20 5 DCBDHM CC[C@@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604066996 1169486710 /nfs/dbraw/zinc/48/67/10/1169486710.db2.gz QIHIGKAXMJOLKE-SSDOTTSWSA-N -1 3 307.314 0.930 20 5 DCBDHM CC[C@@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604066996 1169486714 /nfs/dbraw/zinc/48/67/14/1169486714.db2.gz QIHIGKAXMJOLKE-SSDOTTSWSA-N -1 3 307.314 0.930 20 5 DCBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111520 1169496205 /nfs/dbraw/zinc/49/62/05/1169496205.db2.gz GCFJRPRWDYXVLP-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111520 1169496211 /nfs/dbraw/zinc/49/62/11/1169496211.db2.gz GCFJRPRWDYXVLP-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM CCCNC(=O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604221961 1169527543 /nfs/dbraw/zinc/52/75/43/1169527543.db2.gz KRSNGQWYUGKLSN-UHFFFAOYSA-N -1 3 320.313 0.498 20 5 DCBDHM CCCNC(=O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604221961 1169527545 /nfs/dbraw/zinc/52/75/45/1169527545.db2.gz KRSNGQWYUGKLSN-UHFFFAOYSA-N -1 3 320.313 0.498 20 5 DCBDHM CCc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[nH]1 ZINC001604558183 1169617012 /nfs/dbraw/zinc/61/70/12/1169617012.db2.gz ZWNJFYGHCIKWMG-UHFFFAOYSA-N -1 3 316.285 0.463 20 5 DCBDHM CCc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[nH]1 ZINC001604558183 1169617014 /nfs/dbraw/zinc/61/70/14/1169617014.db2.gz ZWNJFYGHCIKWMG-UHFFFAOYSA-N -1 3 316.285 0.463 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604716365 1169662971 /nfs/dbraw/zinc/66/29/71/1169662971.db2.gz AZDGEXJMLPGCSY-SNVBAGLBSA-N -1 3 305.298 0.377 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604716365 1169662976 /nfs/dbraw/zinc/66/29/76/1169662976.db2.gz AZDGEXJMLPGCSY-SNVBAGLBSA-N -1 3 305.298 0.377 20 5 DCBDHM COCCOC1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605107357 1169826760 /nfs/dbraw/zinc/82/67/60/1169826760.db2.gz FCCRYIBPFGMTCK-UHFFFAOYSA-N -1 3 321.297 0.022 20 5 DCBDHM COCCOC1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605107357 1169826770 /nfs/dbraw/zinc/82/67/70/1169826770.db2.gz FCCRYIBPFGMTCK-UHFFFAOYSA-N -1 3 321.297 0.022 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC001605422646 1169917596 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DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](CO)CC1 ZINC001607080022 1170381372 /nfs/dbraw/zinc/38/13/72/1170381372.db2.gz GIQKKFSTHHQRGZ-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](CO)CC1 ZINC001607080022 1170381374 /nfs/dbraw/zinc/38/13/74/1170381374.db2.gz GIQKKFSTHHQRGZ-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001607083117 1170383558 /nfs/dbraw/zinc/38/35/58/1170383558.db2.gz XJVSLTWOKIEWKY-AXTRIDKLSA-N -1 3 320.309 0.461 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001607083117 1170383565 /nfs/dbraw/zinc/38/35/65/1170383565.db2.gz XJVSLTWOKIEWKY-AXTRIDKLSA-N -1 3 320.309 0.461 20 5 DCBDHM O=C([O-])COc1ccc(CN[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC001608759400 1170751832 /nfs/dbraw/zinc/75/18/32/1170751832.db2.gz KDFAMPAFDMJCRZ-JTQLQIEISA-N -1 3 316.285 0.868 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609179327 1170851208 /nfs/dbraw/zinc/85/12/08/1170851208.db2.gz PQMMWMXLCZVCBE-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609179327 1170851217 /nfs/dbraw/zinc/85/12/17/1170851217.db2.gz PQMMWMXLCZVCBE-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM COC(=O)N1CC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609300323 1170922461 /nfs/dbraw/zinc/92/24/61/1170922461.db2.gz MMUKGMPMRAVSRL-UHFFFAOYSA-N -1 3 319.281 0.637 20 5 DCBDHM COC(=O)N1CC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609300323 1170922463 /nfs/dbraw/zinc/92/24/63/1170922463.db2.gz MMUKGMPMRAVSRL-UHFFFAOYSA-N -1 3 319.281 0.637 20 5 DCBDHM C[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609375093 1170954971 /nfs/dbraw/zinc/95/49/71/1170954971.db2.gz COYIGVVAVYOSTB-SECBINFHSA-N -1 3 304.310 0.996 20 5 DCBDHM C[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609375093 1170954974 /nfs/dbraw/zinc/95/49/74/1170954974.db2.gz COYIGVVAVYOSTB-SECBINFHSA-N -1 3 304.310 0.996 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(n2cncn2)C1 ZINC001609601217 1171038767 /nfs/dbraw/zinc/03/87/67/1171038767.db2.gz RTXMSPJALQGKBG-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(n2cncn2)C1 ZINC001609601217 1171038772 /nfs/dbraw/zinc/03/87/72/1171038772.db2.gz RTXMSPJALQGKBG-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCn1ccnn1 ZINC001609601530 1171039185 /nfs/dbraw/zinc/03/91/85/1171039185.db2.gz LWLKYKDIVIWWBE-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCn1ccnn1 ZINC001609601530 1171039190 /nfs/dbraw/zinc/03/91/90/1171039190.db2.gz LWLKYKDIVIWWBE-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccncc3[N+](=O)[O-])C2)n1 ZINC001612902762 1171364087 /nfs/dbraw/zinc/36/40/87/1171364087.db2.gz CJRYUGRHLRYDSU-JTQLQIEISA-N -1 3 316.321 0.907 20 5 DCBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c[n-][nH]c1=O 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CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001106824174 751297199 /nfs/dbraw/zinc/29/71/99/751297199.db2.gz YIXFQHMWBYBWKO-UHFFFAOYSA-N -1 3 321.297 0.388 20 5 DCBDHM NC(=O)C(=O)N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001063398539 755169023 /nfs/dbraw/zinc/16/90/23/755169023.db2.gz WUGVPFLBUWLZPC-ZKCHVHJHSA-N -1 3 323.309 0.020 20 5 DCBDHM CN(CCNC(=O)CC1(O)CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100057921 759949632 /nfs/dbraw/zinc/94/96/32/759949632.db2.gz XSCSPBODIIGMRZ-UHFFFAOYSA-N -1 3 324.337 0.553 20 5 DCBDHM COCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110037963 761657400 /nfs/dbraw/zinc/65/74/00/761657400.db2.gz XTQRAPXSWPDRAX-UHFFFAOYSA-N -1 3 310.310 0.793 20 5 DCBDHM CN(CCNC(=O)Cn1cccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099926733 763132499 /nfs/dbraw/zinc/13/24/99/763132499.db2.gz YGYJRFWNTCFFAZ-UHFFFAOYSA-N -1 3 320.309 0.145 20 5 DCBDHM Cc1n[nH]cc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100271455 763446073 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COc1c([O-])ccc(CN2CC3(C2)CCNC(=O)O3)c1[N+](=O)[O-] ZINC001474731473 945469170 /nfs/dbraw/zinc/46/91/70/945469170.db2.gz LFUSRIWRGHMEGE-UHFFFAOYSA-N -1 3 323.305 0.993 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC001261862472 947462562 /nfs/dbraw/zinc/46/25/62/947462562.db2.gz XPDZSVROOAUXQP-SSDOTTSWSA-N -1 3 304.266 0.443 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001261862472 947462569 /nfs/dbraw/zinc/46/25/69/947462569.db2.gz XPDZSVROOAUXQP-SSDOTTSWSA-N -1 3 304.266 0.443 20 5 DCBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001328693709 949031073 /nfs/dbraw/zinc/03/10/73/949031073.db2.gz NLWHOGBJKJFKDV-WCBMZHEXSA-N -1 3 301.324 0.836 20 5 DCBDHM CO[C@]1(C(=O)[O-])CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329208327 949436793 /nfs/dbraw/zinc/43/67/93/949436793.db2.gz QDNBWWLZSBPQIW-GXTWGEPZSA-N -1 3 310.306 0.804 20 5 DCBDHM CC1(C)C[C@H](O)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575642988 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CC[S@@](=O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736664435 598895532 /nfs/dbraw/zinc/89/55/32/598895532.db2.gz KZZCBLQUHYJTEM-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@@](=O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736664435 598895533 /nfs/dbraw/zinc/89/55/33/598895533.db2.gz KZZCBLQUHYJTEM-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@](=O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736664434 598895659 /nfs/dbraw/zinc/89/56/59/598895659.db2.gz KZZCBLQUHYJTEM-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@](=O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736664434 598895661 /nfs/dbraw/zinc/89/56/61/598895661.db2.gz KZZCBLQUHYJTEM-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC2(C1)OCCO2 ZINC000738357157 598538112 /nfs/dbraw/zinc/53/81/12/598538112.db2.gz DKOLTKMQGJVIAG-UHFFFAOYSA-N -1 3 318.293 0.728 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC2(C1)OCCO2 ZINC000738357157 598538113 /nfs/dbraw/zinc/53/81/13/598538113.db2.gz DKOLTKMQGJVIAG-UHFFFAOYSA-N -1 3 318.293 0.728 20 5 DCBDHM CN1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1=O ZINC000736845929 599531373 /nfs/dbraw/zinc/53/13/73/599531373.db2.gz OXVQEZXUQHOSCB-SSDOTTSWSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1=O ZINC000736845929 599531375 /nfs/dbraw/zinc/53/13/75/599531375.db2.gz OXVQEZXUQHOSCB-SSDOTTSWSA-N -1 3 318.297 0.203 20 5 DCBDHM COC(=O)[C@H](C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826098684 607727071 /nfs/dbraw/zinc/72/70/71/607727071.db2.gz LTHXAEPIOSDWJQ-SSDOTTSWSA-N -1 3 321.297 0.415 20 5 DCBDHM COC(=O)[C@H](C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826098684 607727073 /nfs/dbraw/zinc/72/70/73/607727073.db2.gz LTHXAEPIOSDWJQ-SSDOTTSWSA-N -1 3 321.297 0.415 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(n2ccnc2)C1 ZINC000823614555 606719675 /nfs/dbraw/zinc/71/96/75/606719675.db2.gz QOCBPBBVUYDATB-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM C[C@@H]1CO[C@@H](CO)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820804671 607029145 /nfs/dbraw/zinc/02/91/45/607029145.db2.gz XIDSKANCIRDCFX-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CO[C@@H](CO)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820804671 607029147 /nfs/dbraw/zinc/02/91/47/607029147.db2.gz XIDSKANCIRDCFX-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM Nc1ncncc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822911805 607226246 /nfs/dbraw/zinc/22/62/46/607226246.db2.gz AHNJUDUWEGYYNT-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1ncncc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822911805 607226247 /nfs/dbraw/zinc/22/62/47/607226247.db2.gz AHNJUDUWEGYYNT-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM COc1c([O-])ccc(CN2C[C@@H]3COC[C@H](C2)O3)c1[N+](=O)[O-] ZINC000894270046 661762002 /nfs/dbraw/zinc/76/20/02/661762002.db2.gz BLRYNALEZZIMJZ-PHIMTYICSA-N -1 3 310.306 0.909 20 5 DCBDHM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC000896556073 662290309 /nfs/dbraw/zinc/29/03/09/662290309.db2.gz NZGFRICXEJZCJZ-QMTHXVAHSA-N -1 3 322.365 0.665 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769496500 668650046 /nfs/dbraw/zinc/65/00/46/668650046.db2.gz KOXVFXAXYWTODG-BXUZGUMPSA-N -1 3 321.333 0.893 20 5 DCBDHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000805606691 668899234 /nfs/dbraw/zinc/89/92/34/668899234.db2.gz KLYWIPZWPUYGNY-ZETCQYMHSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000805606691 668899235 /nfs/dbraw/zinc/89/92/35/668899235.db2.gz KLYWIPZWPUYGNY-ZETCQYMHSA-N -1 3 305.250 0.897 20 5 DCBDHM Cn1ncc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000806786648 670330482 /nfs/dbraw/zinc/33/04/82/670330482.db2.gz RTCZOEUBLWJYPJ-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)nc1 ZINC000850587955 670921065 /nfs/dbraw/zinc/92/10/65/670921065.db2.gz PDNQCUVEQORVFK-MRVPVSSYSA-N -1 3 322.293 0.265 20 5 DCBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)[O-])CC1 ZINC000844214254 672164297 /nfs/dbraw/zinc/16/42/97/672164297.db2.gz WPYGGDIXFNQDNC-UHFFFAOYSA-N -1 3 309.322 0.948 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)nc1 ZINC000845876534 672279935 /nfs/dbraw/zinc/27/99/35/672279935.db2.gz HKEJSSZXIYLDNV-JTQLQIEISA-N -1 3 301.324 0.429 20 5 DCBDHM CC(C)(CCC(=O)NCc1ccc(-c2nnn[n-]2)cn1)[N+](=O)[O-] ZINC001573900785 1163580019 /nfs/dbraw/zinc/58/00/19/1163580019.db2.gz HGQQXGSHOJRJFU-UHFFFAOYSA-N -1 3 319.325 0.713 20 5 DCBDHM CC(C)(CCC(=O)NCc1ccc(-c2nn[n-]n2)cn1)[N+](=O)[O-] ZINC001573900785 1163580020 /nfs/dbraw/zinc/58/00/20/1163580020.db2.gz HGQQXGSHOJRJFU-UHFFFAOYSA-N -1 3 319.325 0.713 20 5 DCBDHM CN(Cc1ccn(C)n1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579260596 1165254142 /nfs/dbraw/zinc/25/41/42/1165254142.db2.gz BWMWQQKESIOMHC-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1ccn(C)n1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579260596 1165254149 /nfs/dbraw/zinc/25/41/49/1165254149.db2.gz BWMWQQKESIOMHC-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM Nc1n[nH]c(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001581911891 1165913244 /nfs/dbraw/zinc/91/32/44/1165913244.db2.gz NPBJPVWOITYVGZ-UHFFFAOYSA-N -1 3 319.310 0.768 20 5 DCBDHM Nc1n[nH]c(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001581911891 1165913253 /nfs/dbraw/zinc/91/32/53/1165913253.db2.gz NPBJPVWOITYVGZ-UHFFFAOYSA-N -1 3 319.310 0.768 20 5 DCBDHM CC1(C(N)=O)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590072299 1166765581 /nfs/dbraw/zinc/76/55/81/1166765581.db2.gz GLKUDZRRXNRCBT-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM CC1(C(N)=O)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590072299 1166765584 /nfs/dbraw/zinc/76/55/84/1166765584.db2.gz GLKUDZRRXNRCBT-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@H]1O ZINC001590314399 1166858956 /nfs/dbraw/zinc/85/89/56/1166858956.db2.gz SZKBNINAWAFAEJ-LDYMZIIASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC[C@H]1O ZINC001590314399 1166858957 /nfs/dbraw/zinc/85/89/57/1166858957.db2.gz SZKBNINAWAFAEJ-LDYMZIIASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@]1(C)CO ZINC001590317483 1166863471 /nfs/dbraw/zinc/86/34/71/1166863471.db2.gz AMPOHDCXQGRBQT-OQPBUACISA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@]1(C)CO ZINC001590317483 1166863478 /nfs/dbraw/zinc/86/34/78/1166863478.db2.gz AMPOHDCXQGRBQT-OQPBUACISA-N -1 3 319.325 0.625 20 5 DCBDHM CN1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001591195436 1167146219 /nfs/dbraw/zinc/14/62/19/1167146219.db2.gz JGAAVRMYVYLXOH-UHFFFAOYSA-N -1 3 307.245 0.150 20 5 DCBDHM CN1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001591195436 1167146228 /nfs/dbraw/zinc/14/62/28/1167146228.db2.gz JGAAVRMYVYLXOH-UHFFFAOYSA-N -1 3 307.245 0.150 20 5 DCBDHM CNC(=O)CCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591207922 1167155446 /nfs/dbraw/zinc/15/54/46/1167155446.db2.gz KWBJQMSSAHOYLT-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CNC(=O)CCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591207922 1167155449 /nfs/dbraw/zinc/15/54/49/1167155449.db2.gz KWBJQMSSAHOYLT-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM NC(=O)[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592721525 1167614713 /nfs/dbraw/zinc/61/47/13/1167614713.db2.gz WMSAAXPTEDCAEC-LURJTMIESA-N -1 3 321.272 0.226 20 5 DCBDHM NC(=O)[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592721525 1167614715 /nfs/dbraw/zinc/61/47/15/1167614715.db2.gz WMSAAXPTEDCAEC-LURJTMIESA-N -1 3 321.272 0.226 20 5 DCBDHM O=C1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCN1 ZINC001593391583 1167801336 /nfs/dbraw/zinc/80/13/36/1167801336.db2.gz ZBRPLSZUSBONOA-VIFPVBQESA-N -1 3 317.309 0.856 20 5 DCBDHM O=C1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCN1 ZINC001593391583 1167801344 /nfs/dbraw/zinc/80/13/44/1167801344.db2.gz ZBRPLSZUSBONOA-VIFPVBQESA-N -1 3 317.309 0.856 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(O)(CO)CC1 ZINC001593468660 1167859259 /nfs/dbraw/zinc/85/92/59/1167859259.db2.gz QPYRKKCIXMVQST-UHFFFAOYSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(O)(CO)CC1 ZINC001593468660 1167859275 /nfs/dbraw/zinc/85/92/75/1167859275.db2.gz QPYRKKCIXMVQST-UHFFFAOYSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001593476048 1167864642 /nfs/dbraw/zinc/86/46/42/1167864642.db2.gz UGRHGUWXLQSJCL-NEPJUHHUSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001593476048 1167864648 /nfs/dbraw/zinc/86/46/48/1167864648.db2.gz UGRHGUWXLQSJCL-NEPJUHHUSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC(O)(C2CC2)C1 ZINC001593470914 1167864662 /nfs/dbraw/zinc/86/46/62/1167864662.db2.gz QMCYGIOGRQUGPL-UHFFFAOYSA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC(O)(C2CC2)C1 ZINC001593470914 1167864665 /nfs/dbraw/zinc/86/46/65/1167864665.db2.gz QMCYGIOGRQUGPL-UHFFFAOYSA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cnn(CCNc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001593488150 1167871532 /nfs/dbraw/zinc/87/15/32/1167871532.db2.gz ZJKDFOXASSJSQF-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnn(CCNc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001593488150 1167871535 /nfs/dbraw/zinc/87/15/35/1167871535.db2.gz ZJKDFOXASSJSQF-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=C([O-])Cc1ccc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001602121215 1168998252 /nfs/dbraw/zinc/99/82/52/1168998252.db2.gz VDOVNQCLKAPUJB-NSHDSACASA-N -1 3 321.333 0.789 20 5 DCBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(N)=O ZINC001603150621 1169257212 /nfs/dbraw/zinc/25/72/12/1169257212.db2.gz HHYHAPWVCFOMSF-UHFFFAOYSA-N -1 3 305.298 0.698 20 5 DCBDHM CC(C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(N)=O ZINC001603150621 1169257217 /nfs/dbraw/zinc/25/72/17/1169257217.db2.gz HHYHAPWVCFOMSF-UHFFFAOYSA-N -1 3 305.298 0.698 20 5 DCBDHM C[C@@H]1COCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603947742 1169448956 /nfs/dbraw/zinc/44/89/56/1169448956.db2.gz ILJDSBFIVUTITF-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM C[C@@H]1COCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603947742 1169448957 /nfs/dbraw/zinc/44/89/57/1169448957.db2.gz ILJDSBFIVUTITF-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001604111518 1169496367 /nfs/dbraw/zinc/49/63/67/1169496367.db2.gz GCFJRPRWDYXVLP-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001604111518 1169496374 /nfs/dbraw/zinc/49/63/74/1169496374.db2.gz GCFJRPRWDYXVLP-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001606277654 1170146010 /nfs/dbraw/zinc/14/60/10/1170146010.db2.gz ZJSPYBKTLLADCI-UHFFFAOYSA-N -1 3 320.294 0.822 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(COC3)C2)c1-c1nnn[n-]1 ZINC001606450486 1170208350 /nfs/dbraw/zinc/20/83/50/1170208350.db2.gz GGKMPVHRQFOYBA-UHFFFAOYSA-N -1 3 317.309 0.584 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(COC3)C2)c1-c1nn[n-]n1 ZINC001606450486 1170208354 /nfs/dbraw/zinc/20/83/54/1170208354.db2.gz GGKMPVHRQFOYBA-UHFFFAOYSA-N -1 3 317.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001607080466 1170381964 /nfs/dbraw/zinc/38/19/64/1170381964.db2.gz LRJPVMHZYHNTCD-DTORHVGOSA-N -1 3 303.282 0.538 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001607080466 1170381969 /nfs/dbraw/zinc/38/19/69/1170381969.db2.gz LRJPVMHZYHNTCD-DTORHVGOSA-N -1 3 303.282 0.538 20 5 DCBDHM O=[N+]([O-])c1cc(NC[C@H](O)[C@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC001607079291 1170382060 /nfs/dbraw/zinc/38/20/60/1170382060.db2.gz FNLWQWMLKBUNLD-NWDGAFQWSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@H]2C[C@@]2(CO)C1 ZINC001607084015 1170384905 /nfs/dbraw/zinc/38/49/05/1170384905.db2.gz QILFQFVSILKVGG-OQPBUACISA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@H]2C[C@@]2(CO)C1 ZINC001607084015 1170384912 /nfs/dbraw/zinc/38/49/12/1170384912.db2.gz QILFQFVSILKVGG-OQPBUACISA-N -1 3 302.294 0.594 20 5 DCBDHM O=C([O-])CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001608749355 1170749092 /nfs/dbraw/zinc/74/90/92/1170749092.db2.gz AIYCVCHQIWDNJP-UHFFFAOYSA-N -1 3 309.322 0.676 20 5 DCBDHM CC(=O)NCCN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609063892 1170796915 /nfs/dbraw/zinc/79/69/15/1170796915.db2.gz LRLKYQYZNLNFED-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CC(=O)NCCN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609063892 1170796916 /nfs/dbraw/zinc/79/69/16/1170796916.db2.gz LRLKYQYZNLNFED-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001609174897 1170844764 /nfs/dbraw/zinc/84/47/64/1170844764.db2.gz DCYYPHUJJABCCE-IUCAKERBSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001609174897 1170844775 /nfs/dbraw/zinc/84/47/75/1170844775.db2.gz DCYYPHUJJABCCE-IUCAKERBSA-N -1 3 320.309 0.361 20 5 DCBDHM COC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609316846 1170932995 /nfs/dbraw/zinc/93/29/95/1170932995.db2.gz PYPNYMRCXIHMTR-ZDUSSCGKSA-N -1 3 322.325 0.893 20 5 DCBDHM COC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609316846 1170933002 /nfs/dbraw/zinc/93/30/02/1170933002.db2.gz PYPNYMRCXIHMTR-ZDUSSCGKSA-N -1 3 322.325 0.893 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(O)CCC1 ZINC001609575607 1171026240 /nfs/dbraw/zinc/02/62/40/1171026240.db2.gz ZFESJLDFKAZWPW-UHFFFAOYSA-N -1 3 319.277 0.733 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(O)CCC1 ZINC001609575607 1171026247 /nfs/dbraw/zinc/02/62/47/1171026247.db2.gz ZFESJLDFKAZWPW-UHFFFAOYSA-N -1 3 319.277 0.733 20 5 DCBDHM Cn1nnnc1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001612852779 1171364328 /nfs/dbraw/zinc/36/43/28/1171364328.db2.gz CKDLDTFOEYMKIO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/28/25/46/1174282546.db2.gz QSUYIDJSPVMNQC-UHFFFAOYSA-N -1 3 324.380 0.642 20 5 DCBDHM CCN(CCNC(=O)CCOC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100445401 747053604 /nfs/dbraw/zinc/05/36/04/747053604.db2.gz DJUXWGJAGHHUOT-UHFFFAOYSA-N -1 3 312.326 0.674 20 5 DCBDHM Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001059458664 749199033 /nfs/dbraw/zinc/19/90/33/749199033.db2.gz PSNMLQZVWBGLCO-KYZUINATSA-N -1 3 317.309 0.789 20 5 DCBDHM COCCC(=O)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097547581 755677433 /nfs/dbraw/zinc/67/74/33/755677433.db2.gz IWEVSJYGUDDJTO-GDGBQDQQSA-N -1 3 322.321 0.283 20 5 DCBDHM O=C(c1ccc[nH]1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055717189 756884064 /nfs/dbraw/zinc/88/40/64/756884064.db2.gz BAZOAYRCUFLWIM-UHFFFAOYSA-N -1 3 317.305 0.986 20 5 DCBDHM Cc1nc[nH]c1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101676041 764241036 /nfs/dbraw/zinc/24/10/36/764241036.db2.gz KMGZYDTWDZUYCO-UHFFFAOYSA-N -1 3 320.309 0.911 20 5 DCBDHM C[C@H](O)c1cn(C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nn1 ZINC001118590791 766367517 /nfs/dbraw/zinc/36/75/17/766367517.db2.gz COBMVLDWMPSCCY-ZETCQYMHSA-N -1 3 306.282 0.402 20 5 DCBDHM CSCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093500236 768581884 /nfs/dbraw/zinc/58/18/84/768581884.db2.gz WTUCPINNJLUKCC-UHFFFAOYSA-N -1 3 300.340 0.977 20 5 DCBDHM NCc1nc(=O)[n-]n1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157933432 771696575 /nfs/dbraw/zinc/69/65/75/771696575.db2.gz WZJRTESCLNSXHL-UHFFFAOYSA-N -1 3 321.684 0.936 20 5 DCBDHM CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162305887 772356896 /nfs/dbraw/zinc/35/68/96/772356896.db2.gz OQMSVDWMJJNQLR-QMMMGPOBSA-N -1 3 319.281 0.462 20 5 DCBDHM COC(=O)c1ncc([N+](=O)[O-])cc1NCCCc1c[n-][nH]c1=O ZINC001164395081 772654050 /nfs/dbraw/zinc/65/40/50/772654050.db2.gz KHBWBTGBHREVPH-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)O1 ZINC001193566729 773078637 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Cc1cc(S(=O)(=O)[N-]C[C@@H]2COCO2)c([N+](=O)[O-])s1 ZINC001561638037 1012473215 /nfs/dbraw/zinc/47/32/15/1012473215.db2.gz WWPWFVQUSCWGOT-SSDOTTSWSA-N -1 3 308.337 0.616 20 5 DCBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275663957 130359542 /nfs/dbraw/zinc/35/95/42/130359542.db2.gz NFWSDFVDSYNUNW-QMMMGPOBSA-N -1 3 311.323 0.763 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060497097 395962910 /nfs/dbraw/zinc/96/29/10/395962910.db2.gz DDPISWIKTOUIPQ-UHFFFAOYSA-N -1 3 315.351 0.626 20 5 DCBDHM COc1cc(C(=O)[N-]N2CCCNC2=O)cc([N+](=O)[O-])c1C ZINC000276909265 396035640 /nfs/dbraw/zinc/03/56/40/396035640.db2.gz WVFYXGNIIRPWEM-UHFFFAOYSA-N -1 3 308.294 0.972 20 5 DCBDHM O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000261636249 396051050 /nfs/dbraw/zinc/05/10/50/396051050.db2.gz DOMZGAFBMLWFMT-UHFFFAOYSA-N -1 3 316.321 0.980 20 5 DCBDHM CCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280790717 396220955 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COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc3[nH]cnn23)c1 ZINC000590552998 396795317 /nfs/dbraw/zinc/79/53/17/396795317.db2.gz RSVDQILJFHGYII-UHFFFAOYSA-N -1 3 303.238 0.622 20 5 DCBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c3ncnn23)c1 ZINC000590552998 396795320 /nfs/dbraw/zinc/79/53/20/396795320.db2.gz RSVDQILJFHGYII-UHFFFAOYSA-N -1 3 303.238 0.622 20 5 DCBDHM CS(=O)(=O)N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596289651 396755542 /nfs/dbraw/zinc/75/55/42/396755542.db2.gz DSMFIZZSXMZFOC-SSDOTTSWSA-N -1 3 302.312 0.141 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-]Cc2cc(C)[nH]n2)c([N+](=O)[O-])n1 ZINC000611106065 396818222 /nfs/dbraw/zinc/81/82/22/396818222.db2.gz UTQFVBNORQRJFK-UHFFFAOYSA-N -1 3 314.327 0.321 20 5 DCBDHM CCc1n[nH]c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1[N+](=O)[O-] ZINC000597666245 397052217 /nfs/dbraw/zinc/05/22/17/397052217.db2.gz VHJSHYDUIGFKFF-UHFFFAOYSA-N -1 3 308.298 0.266 20 5 DCBDHM COC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071270315 158048804 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20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCOC1 ZINC000352889874 415358961 /nfs/dbraw/zinc/35/89/61/415358961.db2.gz IUNHLDIAGYZWQE-MWLCHTKSSA-N -1 3 316.335 0.271 20 5 DCBDHM CCNC(=O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000344376132 415899145 /nfs/dbraw/zinc/89/91/45/415899145.db2.gz LRKWZXGEKFRTKQ-UHFFFAOYSA-N -1 3 317.323 0.018 20 5 DCBDHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000344442949 415917527 /nfs/dbraw/zinc/91/75/27/415917527.db2.gz DATHUCSTONVXNW-UHFFFAOYSA-N -1 3 305.250 0.308 20 5 DCBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000344695204 415972542 /nfs/dbraw/zinc/97/25/42/415972542.db2.gz HCCUBUGBXAGQHY-UHFFFAOYSA-N -1 3 319.277 0.650 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[S@](C)=O ZINC000183200776 416237670 /nfs/dbraw/zinc/23/76/70/416237670.db2.gz AQQUXKOYXZPKBD-UGZDLDLSSA-N -1 3 320.392 0.949 20 5 DCBDHM CN(C)CC[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436984042 416576280 /nfs/dbraw/zinc/57/62/80/416576280.db2.gz LNTOBGCASVSFFC-CQSZACIVSA-N -1 3 311.338 0.733 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[n-]1 ZINC000541903090 416618219 /nfs/dbraw/zinc/61/82/19/416618219.db2.gz MPIUQLHBHZNNPO-UHFFFAOYSA-N -1 3 322.281 0.789 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)[n-]n1 ZINC000541903090 416618223 /nfs/dbraw/zinc/61/82/23/416618223.db2.gz MPIUQLHBHZNNPO-UHFFFAOYSA-N -1 3 322.281 0.789 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)COC2)c(F)c1 ZINC000443506017 416762876 /nfs/dbraw/zinc/76/28/76/416762876.db2.gz BNBSATQVRHAAIV-UHFFFAOYSA-N -1 3 320.298 0.021 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522257378 417057968 /nfs/dbraw/zinc/05/79/68/417057968.db2.gz ADAJUTPJKQYDRC-SNVBAGLBSA-N -1 3 320.305 0.845 20 5 DCBDHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601225 417140882 /nfs/dbraw/zinc/14/08/82/417140882.db2.gz VVGUCVSBAJNUOG-JTQLQIEISA-N -1 3 316.383 0.998 20 5 DCBDHM CNc1nc(C(=O)[N-]c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000455990051 417621706 /nfs/dbraw/zinc/62/17/06/417621706.db2.gz HAFMWQWKTUFXAT-UHFFFAOYSA-N -1 3 317.309 1.212 20 5 DCBDHM COC(=O)c1nc[n-]c1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000550078155 288209892 /nfs/dbraw/zinc/20/98/92/288209892.db2.gz USWNLLWZUCDMCU-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM COC(=O)c1[n-]cnc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000550078155 288209894 /nfs/dbraw/zinc/20/98/94/288209894.db2.gz USWNLLWZUCDMCU-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCNC1 ZINC000261721549 280373013 /nfs/dbraw/zinc/37/30/13/280373013.db2.gz KGPIHZDBEXBGOO-MRVPVSSYSA-N -1 3 303.315 0.764 20 5 DCBDHM C[C@@H](CN1CCN(C)CC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188434956 524621124 /nfs/dbraw/zinc/62/11/24/524621124.db2.gz AZLCQHKLROIXLX-JTQLQIEISA-N -1 3 323.353 0.061 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H]2O)c(-c2nnn[n-]2)c1 ZINC000823651070 599078272 /nfs/dbraw/zinc/07/82/72/599078272.db2.gz DNDHPLZQUNAQSP-XCBNKYQSSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H]2O)c(-c2nn[n-]n2)c1 ZINC000823651070 599078274 /nfs/dbraw/zinc/07/82/74/599078274.db2.gz DNDHPLZQUNAQSP-XCBNKYQSSA-N -1 3 305.298 0.743 20 5 DCBDHM Cc1noc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737544870 598501038 /nfs/dbraw/zinc/50/10/38/598501038.db2.gz BRBDTNSKFKLFHQ-UHFFFAOYSA-N -1 3 317.269 0.516 20 5 DCBDHM Cc1noc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737544870 598501040 /nfs/dbraw/zinc/50/10/40/598501040.db2.gz BRBDTNSKFKLFHQ-UHFFFAOYSA-N -1 3 317.269 0.516 20 5 DCBDHM CC(C)[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735699905 598680961 /nfs/dbraw/zinc/68/09/61/598680961.db2.gz DIYHKYFFUNSOPZ-GFCCVEGCSA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735699905 598680963 /nfs/dbraw/zinc/68/09/63/598680963.db2.gz DIYHKYFFUNSOPZ-GFCCVEGCSA-N -1 3 307.314 0.989 20 5 DCBDHM CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000736853920 599535459 /nfs/dbraw/zinc/53/54/59/599535459.db2.gz BQEAYXPJJAFGAD-VIFPVBQESA-N -1 3 303.282 0.418 20 5 DCBDHM CN1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000736853920 599535462 /nfs/dbraw/zinc/53/54/62/599535462.db2.gz BQEAYXPJJAFGAD-VIFPVBQESA-N -1 3 303.282 0.418 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCS(=O)CC2)ccc1-c1nnn[n-]1 ZINC000823634939 606646081 /nfs/dbraw/zinc/64/60/81/606646081.db2.gz OUSKAFLHCSZCSL-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000823648392 606803031 /nfs/dbraw/zinc/80/30/31/606803031.db2.gz VZYMBXBJZGOONY-CYBMUJFWSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000823648392 606803034 /nfs/dbraw/zinc/80/30/34/606803034.db2.gz VZYMBXBJZGOONY-CYBMUJFWSA-N -1 3 317.309 0.787 20 5 DCBDHM Nc1ncncc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822912235 607226188 /nfs/dbraw/zinc/22/61/88/607226188.db2.gz SBNNISGIIVDHEL-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1ncncc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822912235 607226189 /nfs/dbraw/zinc/22/61/89/607226189.db2.gz SBNNISGIIVDHEL-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM CCN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1C ZINC000825465787 607822093 /nfs/dbraw/zinc/82/20/93/607822093.db2.gz QPBYYAJPYAEWHB-VIFPVBQESA-N -1 3 318.341 0.700 20 5 DCBDHM CCOC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825511811 608292590 /nfs/dbraw/zinc/29/25/90/608292590.db2.gz GMSJUUZQAOAMAT-UHFFFAOYSA-N -1 3 307.270 0.169 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824685815 609568599 /nfs/dbraw/zinc/56/85/99/609568599.db2.gz AJQMUYBHOLSMHG-PSASIEDQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824685815 609568601 /nfs/dbraw/zinc/56/86/01/609568601.db2.gz AJQMUYBHOLSMHG-PSASIEDQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824688954 609568816 /nfs/dbraw/zinc/56/88/16/609568816.db2.gz JBBSPVCRUAGWNV-SFYZADRCSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824688954 609568819 /nfs/dbraw/zinc/56/88/19/609568819.db2.gz JBBSPVCRUAGWNV-SFYZADRCSA-N -1 3 305.298 0.377 20 5 DCBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000750615443 667983349 /nfs/dbraw/zinc/98/33/49/667983349.db2.gz ITRSJWRHQVYCKC-LLVKDONJSA-N -1 3 301.324 0.527 20 5 DCBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]N=c2nccc[nH]2)cs1 ZINC000768865372 668625411 /nfs/dbraw/zinc/62/54/11/668625411.db2.gz IKQWHWCLYKICDI-UHFFFAOYSA-N -1 3 301.309 0.752 20 5 DCBDHM C[C@H]1CCN(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])C1 ZINC000777940738 668892887 /nfs/dbraw/zinc/89/28/87/668892887.db2.gz RPNPDKYBIWBFAP-QMMMGPOBSA-N -1 3 301.328 0.493 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805605061 668897796 /nfs/dbraw/zinc/89/77/96/668897796.db2.gz VHWXUCWCCXPOTI-UHFFFAOYSA-N -1 3 305.250 0.817 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805605061 668897797 /nfs/dbraw/zinc/89/77/97/668897797.db2.gz VHWXUCWCCXPOTI-UHFFFAOYSA-N -1 3 305.250 0.817 20 5 DCBDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C[N+](=O)[O-])c(C)o1 ZINC000814036103 670672388 /nfs/dbraw/zinc/67/23/88/670672388.db2.gz SEKNWPLQGVUXHR-ZCFIWIBFSA-N -1 3 306.296 0.318 20 5 DCBDHM CCNC(=O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580195 670698011 /nfs/dbraw/zinc/69/80/11/670698011.db2.gz JOOHQZITGRVBCT-UHFFFAOYSA-N -1 3 317.248 0.819 20 5 DCBDHM CN1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821623369 671286038 /nfs/dbraw/zinc/28/60/38/671286038.db2.gz JTNNVGWRXPVYBT-JTQLQIEISA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821623369 671286040 /nfs/dbraw/zinc/28/60/40/671286040.db2.gz JTNNVGWRXPVYBT-JTQLQIEISA-N -1 3 317.309 0.808 20 5 DCBDHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845827834 672277284 /nfs/dbraw/zinc/27/72/84/672277284.db2.gz NFVJHFCYHJFPAP-SSDOTTSWSA-N -1 3 303.296 0.220 20 5 DCBDHM Cc1ccnc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001581279510 1165809846 /nfs/dbraw/zinc/80/98/46/1165809846.db2.gz WXWQVTJRMREDGL-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cc1ccnc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001581279510 1165809858 /nfs/dbraw/zinc/80/98/58/1165809858.db2.gz WXWQVTJRMREDGL-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cc1nnc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[nH]1 ZINC001581400225 1165821968 /nfs/dbraw/zinc/82/19/68/1165821968.db2.gz OXHJGQHXSSWIBV-UHFFFAOYSA-N -1 3 302.258 0.209 20 5 DCBDHM CC(C)NC(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589721605 1166676895 /nfs/dbraw/zinc/67/68/95/1166676895.db2.gz LEBUXMYDOCNAAF-UHFFFAOYSA-N -1 3 305.298 0.711 20 5 DCBDHM CC(C)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589721605 1166676897 /nfs/dbraw/zinc/67/68/97/1166676897.db2.gz LEBUXMYDOCNAAF-UHFFFAOYSA-N -1 3 305.298 0.711 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC(=O)N1 ZINC001590313099 1166858006 /nfs/dbraw/zinc/85/80/06/1166858006.db2.gz LEXBBDBBUPMMQQ-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC(=O)N1 ZINC001590313099 1166858010 /nfs/dbraw/zinc/85/80/10/1166858010.db2.gz LEXBBDBBUPMMQQ-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM CCN(C)C(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590677126 1166966064 /nfs/dbraw/zinc/96/60/64/1166966064.db2.gz XVKPWPOUMHXRTC-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CCN(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590677126 1166966070 /nfs/dbraw/zinc/96/60/70/1166966070.db2.gz XVKPWPOUMHXRTC-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CN(Cc1cn(C)nn1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591151003 1167115667 /nfs/dbraw/zinc/11/56/67/1167115667.db2.gz NIPFBWVWDNUWNH-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1cn(C)nn1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591151003 1167115684 /nfs/dbraw/zinc/11/56/84/1167115684.db2.gz NIPFBWVWDNUWNH-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1=O ZINC001591180753 1167132545 /nfs/dbraw/zinc/13/25/45/1167132545.db2.gz NTWRBJBVLSPKAU-SECBINFHSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1=O ZINC001591195570 1167146056 /nfs/dbraw/zinc/14/60/56/1167146056.db2.gz TVBUDQCQZSBUJV-ZETCQYMHSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1=O ZINC001591195570 1167146059 /nfs/dbraw/zinc/14/60/59/1167146059.db2.gz TVBUDQCQZSBUJV-ZETCQYMHSA-N -1 3 303.282 0.418 20 5 DCBDHM COC(=O)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591259464 1167182764 /nfs/dbraw/zinc/18/27/64/1167182764.db2.gz HLTXHLRNJMSITO-QMMMGPOBSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591259464 1167182769 /nfs/dbraw/zinc/18/27/69/1167182769.db2.gz HLTXHLRNJMSITO-QMMMGPOBSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591259461 1167184263 /nfs/dbraw/zinc/18/42/63/1167184263.db2.gz HLTXHLRNJMSITO-MRVPVSSYSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591259461 1167184267 /nfs/dbraw/zinc/18/42/67/1167184267.db2.gz HLTXHLRNJMSITO-MRVPVSSYSA-N -1 3 322.281 0.111 20 5 DCBDHM CON1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001591466983 1167299289 /nfs/dbraw/zinc/29/92/89/1167299289.db2.gz FEQYUKOMUVQRJD-UHFFFAOYSA-N -1 3 320.313 0.041 20 5 DCBDHM CON1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001591466983 1167299291 /nfs/dbraw/zinc/29/92/91/1167299291.db2.gz FEQYUKOMUVQRJD-UHFFFAOYSA-N -1 3 320.313 0.041 20 5 DCBDHM CO[C@@H]1COC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591472376 1167300709 /nfs/dbraw/zinc/30/07/09/1167300709.db2.gz QQSTWFKEFYABDK-MWLCHTKSSA-N -1 3 306.282 0.601 20 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O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@](F)(CO)C1 ZINC001593469715 1167857019 /nfs/dbraw/zinc/85/70/19/1167857019.db2.gz CUMNSWMYXUQSMH-NSHDSACASA-N -1 3 309.261 0.081 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@](F)(CO)C1 ZINC001593469715 1167857026 /nfs/dbraw/zinc/85/70/26/1167857026.db2.gz CUMNSWMYXUQSMH-NSHDSACASA-N -1 3 309.261 0.081 20 5 DCBDHM O=[N+]([O-])c1cnn(CCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001593487842 1167870371 /nfs/dbraw/zinc/87/03/71/1167870371.db2.gz SLTJRDHJCFGYKP-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001593486628 1167872972 /nfs/dbraw/zinc/87/29/72/1167872972.db2.gz DIROIGDAXCEHLX-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CCn1cc([N+](=O)[O-])cn1 ZINC001594341546 1167965391 /nfs/dbraw/zinc/96/53/91/1167965391.db2.gz VAUDJZXKSXOWRP-XEZLXBQYSA-N -1 3 324.337 0.886 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001597699252 1168011033 /nfs/dbraw/zinc/01/10/33/1168011033.db2.gz AZSCGYISHISFAV-VIFPVBQESA-N -1 3 307.306 0.503 20 5 DCBDHM C[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC001603911077 1169430816 /nfs/dbraw/zinc/43/08/16/1169430816.db2.gz ZFKDSQZJNYFZHB-OIBJUYFYSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001603911077 1169430817 /nfs/dbraw/zinc/43/08/17/1169430817.db2.gz ZFKDSQZJNYFZHB-OIBJUYFYSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1CN(C)C(=O)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603931408 1169439576 /nfs/dbraw/zinc/43/95/76/1169439576.db2.gz CZGPAOHXUPFMAI-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@H]1CN(C)C(=O)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603931408 1169439580 /nfs/dbraw/zinc/43/95/80/1169439580.db2.gz CZGPAOHXUPFMAI-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM CCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603971337 1169460248 /nfs/dbraw/zinc/46/02/48/1169460248.db2.gz HEKAXGPNCQEEDO-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603971337 1169460268 /nfs/dbraw/zinc/46/02/68/1169460268.db2.gz HEKAXGPNCQEEDO-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(-c2nnn[n-]2)c1 ZINC001607085749 1170383203 /nfs/dbraw/zinc/38/32/03/1170383203.db2.gz MKWSDNRIBVOEAF-HUBMKLMBSA-N -1 3 315.293 0.758 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(-c2nn[n-]n2)c1 ZINC001607085749 1170383207 /nfs/dbraw/zinc/38/32/07/1170383207.db2.gz MKWSDNRIBVOEAF-HUBMKLMBSA-N -1 3 315.293 0.758 20 5 DCBDHM O=C([O-])[C@@H]1C[C@@H](O)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001608603164 1170714985 /nfs/dbraw/zinc/71/49/85/1170714985.db2.gz YVDMXKZGXFSXDO-RAIGVLPGSA-N -1 3 310.306 0.396 20 5 DCBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncn(C)n1 ZINC001609126655 1170818705 /nfs/dbraw/zinc/81/87/05/1170818705.db2.gz DILNGPZZQIIHQV-ZCFIWIBFSA-N -1 3 316.285 0.472 20 5 DCBDHM 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/nfs/dbraw/zinc/17/60/29/219176029.db2.gz KZBWGLVJGFYUNF-SSDOTTSWSA-N -1 3 321.297 0.529 20 5 DCBDHM O=C([O-])c1cnc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000566858810 291326559 /nfs/dbraw/zinc/32/65/59/291326559.db2.gz WIZSWIUHRRADHP-NSHDSACASA-N -1 3 324.337 0.947 20 5 DCBDHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000344964331 253859230 /nfs/dbraw/zinc/85/92/30/253859230.db2.gz ZZPBJEROQXLUDQ-MRVPVSSYSA-N -1 3 320.298 0.693 20 5 DCBDHM O=c1nc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)[nH][n-]1 ZINC000289567370 221073917 /nfs/dbraw/zinc/07/39/17/221073917.db2.gz YGWJGUWWKQNUHG-VIFPVBQESA-N -1 3 307.314 0.082 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000037565107 395727869 /nfs/dbraw/zinc/72/78/69/395727869.db2.gz GFYSISQJRSWVIL-UHFFFAOYSA-N -1 3 302.308 0.745 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000097444438 395757868 /nfs/dbraw/zinc/75/78/68/395757868.db2.gz GRXVUYAPCRVPDV-VIFPVBQESA-N -1 3 318.351 0.900 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000050102292 395836244 /nfs/dbraw/zinc/83/62/44/395836244.db2.gz JPOABVMJEUKKHE-QMMMGPOBSA-N -1 3 302.308 0.576 20 5 DCBDHM CCCNC(=O)C[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271268396 395852523 /nfs/dbraw/zinc/85/25/23/395852523.db2.gz LVIKFLMTVPIGTH-UHFFFAOYSA-N -1 3 321.380 0.998 20 5 DCBDHM COC[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC ZINC000273574533 395931690 /nfs/dbraw/zinc/93/16/90/395931690.db2.gz FUELXJGYEPCASH-LLVKDONJSA-N -1 3 318.351 0.676 20 5 DCBDHM CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000186235070 396345652 /nfs/dbraw/zinc/34/56/52/396345652.db2.gz UWFWOURHTOHYFS-UHFFFAOYSA-N -1 3 322.365 0.668 20 5 DCBDHM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269293345 396405203 /nfs/dbraw/zinc/40/52/03/396405203.db2.gz QOIQYWOCLBXJLM-NSHDSACASA-N -1 3 322.365 0.666 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000269819713 396448858 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CC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820966047 606480479 /nfs/dbraw/zinc/48/04/79/606480479.db2.gz BPEDUPSQYIEXAZ-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820966047 606480481 /nfs/dbraw/zinc/48/04/81/606480481.db2.gz BPEDUPSQYIEXAZ-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OCC1(O)CCOCC1 ZINC000826499288 607876645 /nfs/dbraw/zinc/87/66/45/607876645.db2.gz CUQAZEHDFPWUFF-UHFFFAOYSA-N -1 3 321.293 0.695 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OCC1(O)CCOCC1 ZINC000826499288 607876646 /nfs/dbraw/zinc/87/66/46/607876646.db2.gz CUQAZEHDFPWUFF-UHFFFAOYSA-N -1 3 321.293 0.695 20 5 DCBDHM C[C@H]1CCCN1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000769870542 668668011 /nfs/dbraw/zinc/66/80/11/668668011.db2.gz SMXIMKYSXRYOLJ-QMMMGPOBSA-N -1 3 301.328 0.635 20 5 DCBDHM C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589996063 1166743803 /nfs/dbraw/zinc/74/38/03/1166743803.db2.gz GITCXAKXOSTVFQ-NKWVEPMBSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589996063 1166743810 /nfs/dbraw/zinc/74/38/10/1166743810.db2.gz GITCXAKXOSTVFQ-NKWVEPMBSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@@H]1[C@H](CO)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590172161 1166801493 /nfs/dbraw/zinc/80/14/93/1166801493.db2.gz YVFRIOPYWOFTEZ-SCZZXKLOSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1[C@H](CO)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590172161 1166801496 /nfs/dbraw/zinc/80/14/96/1166801496.db2.gz YVFRIOPYWOFTEZ-SCZZXKLOSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1CO ZINC001590274966 1166834468 /nfs/dbraw/zinc/83/44/68/1166834468.db2.gz TXUUYYOBLUQSHF-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC(=O)N1 ZINC001590313093 1166857956 /nfs/dbraw/zinc/85/79/56/1166857956.db2.gz LEXBBDBBUPMMQQ-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC(=O)N1 ZINC001590313093 1166857961 /nfs/dbraw/zinc/85/79/61/1166857961.db2.gz LEXBBDBBUPMMQQ-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(Cc1nccn1C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591152745 1167119191 /nfs/dbraw/zinc/11/91/91/1167119191.db2.gz MCAVNOKKMHSUEF-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1nccn1C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591152745 1167119192 /nfs/dbraw/zinc/11/91/92/1167119192.db2.gz MCAVNOKKMHSUEF-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN1CC(=O)N(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1=O ZINC001591166700 1167120627 /nfs/dbraw/zinc/12/06/27/1167120627.db2.gz MCJRCBGQQYIVFU-UHFFFAOYSA-N -1 3 317.265 0.169 20 5 DCBDHM CN1CC(=O)N(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1=O ZINC001591166700 1167120630 /nfs/dbraw/zinc/12/06/30/1167120630.db2.gz MCJRCBGQQYIVFU-UHFFFAOYSA-N -1 3 317.265 0.169 20 5 DCBDHM CO[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC001591342431 1167221646 /nfs/dbraw/zinc/22/16/46/1167221646.db2.gz HGEQAQVRGSBVAE-ZDUSSCGKSA-N -1 3 320.309 0.992 20 5 DCBDHM CO[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC001591342431 1167221653 /nfs/dbraw/zinc/22/16/53/1167221653.db2.gz HGEQAQVRGSBVAE-ZDUSSCGKSA-N -1 3 320.309 0.992 20 5 DCBDHM COC[C@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591371497 1167245717 /nfs/dbraw/zinc/24/57/17/1167245717.db2.gz UZQUTMUFPRLPMR-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591371497 1167245721 /nfs/dbraw/zinc/24/57/21/1167245721.db2.gz UZQUTMUFPRLPMR-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM Cc1c(C(=O)n2ncc(-c3nnn[n-]3)c2N)cccc1[N+](=O)[O-] ZINC001591815336 1167385955 /nfs/dbraw/zinc/38/59/55/1167385955.db2.gz VTONKSVJBIRERM-UHFFFAOYSA-N -1 3 314.265 0.551 20 5 DCBDHM Cc1nnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[nH]1 ZINC001592326896 1167488946 /nfs/dbraw/zinc/48/89/46/1167488946.db2.gz JBTZYQSKKGZSAA-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM NC(=O)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001592726212 1167616017 /nfs/dbraw/zinc/61/60/17/1167616017.db2.gz PNAJXXSWJDJBLA-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001592726212 1167616020 /nfs/dbraw/zinc/61/60/20/1167616020.db2.gz PNAJXXSWJDJBLA-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001592756166 1167633035 /nfs/dbraw/zinc/63/30/35/1167633035.db2.gz FXHLOGGYRJSEQI-SSDOTTSWSA-N -1 3 305.298 0.176 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001592756166 1167633043 /nfs/dbraw/zinc/63/30/43/1167633043.db2.gz FXHLOGGYRJSEQI-SSDOTTSWSA-N -1 3 305.298 0.176 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H](O)C2CC2)c1-c1nnn[n-]1 ZINC001592756553 1167634199 /nfs/dbraw/zinc/63/41/99/1167634199.db2.gz ASKJUAIWXOCXMP-SECBINFHSA-N -1 3 305.298 0.540 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H](O)C2CC2)c1-c1nn[n-]n1 ZINC001592756553 1167634203 /nfs/dbraw/zinc/63/42/03/1167634203.db2.gz ASKJUAIWXOCXMP-SECBINFHSA-N -1 3 305.298 0.540 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1nnc(C2CC2)n1 ZINC001593468808 1167858920 /nfs/dbraw/zinc/85/89/20/1167858920.db2.gz SDLVEWAVTRTWPQ-UHFFFAOYSA-N -1 3 313.281 0.687 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1nnc(C2CC2)n1 ZINC001593468808 1167858924 /nfs/dbraw/zinc/85/89/24/1167858924.db2.gz SDLVEWAVTRTWPQ-UHFFFAOYSA-N -1 3 313.281 0.687 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCn3cncc3C2)ccc1-c1nnn[n-]1 ZINC001593470436 1167860852 /nfs/dbraw/zinc/86/08/52/1167860852.db2.gz DNKZYERWDPAXIV-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCn3cncc3C2)ccc1-c1nn[n-]n1 ZINC001593470436 1167860860 /nfs/dbraw/zinc/86/08/60/1167860860.db2.gz DNKZYERWDPAXIV-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1nnc[nH]1 ZINC001593475284 1167864598 /nfs/dbraw/zinc/86/45/98/1167864598.db2.gz OGAPRTGFEJFSFE-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](O)[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001593486403 1167866966 /nfs/dbraw/zinc/86/69/66/1167866966.db2.gz RKBPCRVSJLYNKM-DTWKUNHWSA-N -1 3 309.261 0.079 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](O)[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001593486403 1167866976 /nfs/dbraw/zinc/86/69/76/1167866976.db2.gz RKBPCRVSJLYNKM-DTWKUNHWSA-N -1 3 309.261 0.079 20 5 DCBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H](O)c1c[nH]cn1 ZINC001593489110 1167873255 /nfs/dbraw/zinc/87/32/55/1167873255.db2.gz WCRSTIYZAMHVPM-SSDOTTSWSA-N -1 3 322.310 0.705 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1O ZINC001603940212 1169445743 /nfs/dbraw/zinc/44/57/43/1169445743.db2.gz RHNUIKLPVZSADH-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1O ZINC001603940212 1169445749 /nfs/dbraw/zinc/44/57/49/1169445749.db2.gz RHNUIKLPVZSADH-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM CCNC(=O)C1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001604347094 1169562663 /nfs/dbraw/zinc/56/26/63/1169562663.db2.gz CEMQYMVIHTWYIH-UHFFFAOYSA-N -1 3 317.309 0.347 20 5 DCBDHM CCNC(=O)C1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001604347094 1169562667 /nfs/dbraw/zinc/56/26/67/1169562667.db2.gz CEMQYMVIHTWYIH-UHFFFAOYSA-N -1 3 317.309 0.347 20 5 DCBDHM COC(=O)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604962686 1169765112 /nfs/dbraw/zinc/76/51/12/1169765112.db2.gz TZONGSKMRMCLDR-KNVOCYPGSA-N -1 3 319.281 0.533 20 5 DCBDHM COC(=O)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604962686 1169765117 /nfs/dbraw/zinc/76/51/17/1169765117.db2.gz TZONGSKMRMCLDR-KNVOCYPGSA-N -1 3 319.281 0.533 20 5 DCBDHM Cc1nnc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[nH]1 ZINC001606010690 1170047158 /nfs/dbraw/zinc/04/71/58/1170047158.db2.gz KBSUUBWBVAUJIV-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1nnc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[nH]1 ZINC001606010690 1170047163 /nfs/dbraw/zinc/04/71/63/1170047163.db2.gz KBSUUBWBVAUJIV-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM O=C1C[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CN1 ZINC001607040416 1170362489 /nfs/dbraw/zinc/36/24/89/1170362489.db2.gz OQZNLIWWJAMKRM-SSDOTTSWSA-N -1 3 303.282 0.323 20 5 DCBDHM O=C1C[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CN1 ZINC001607040416 1170362497 /nfs/dbraw/zinc/36/24/97/1170362497.db2.gz OQZNLIWWJAMKRM-SSDOTTSWSA-N -1 3 303.282 0.323 20 5 DCBDHM CC(C)CNC(=O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609096386 1170806937 /nfs/dbraw/zinc/80/69/37/1170806937.db2.gz YTXQTGXVCASOHG-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC(C)CNC(=O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609096386 1170806943 /nfs/dbraw/zinc/80/69/43/1170806943.db2.gz YTXQTGXVCASOHG-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC1(C)[C@H](O)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609143705 1170825481 /nfs/dbraw/zinc/82/54/81/1170825481.db2.gz TVJLXEORFPNNFC-RKDXNWHRSA-N -1 3 305.298 0.741 20 5 DCBDHM CC1(C)[C@H](O)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609143705 1170825487 /nfs/dbraw/zinc/82/54/87/1170825487.db2.gz TVJLXEORFPNNFC-RKDXNWHRSA-N -1 3 305.298 0.741 20 5 DCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001609174896 1170846340 /nfs/dbraw/zinc/84/63/40/1170846340.db2.gz DCYYPHUJJABCCE-DTWKUNHWSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001609174896 1170846347 /nfs/dbraw/zinc/84/63/47/1170846347.db2.gz DCYYPHUJJABCCE-DTWKUNHWSA-N -1 3 320.309 0.361 20 5 DCBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001609202439 1170868820 /nfs/dbraw/zinc/86/88/20/1170868820.db2.gz HYMGXYAEVQBQRH-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM O=[N+]([O-])c1cc(N2C[C@H](O)C3(CC3)C2)ccc1-c1nnn[n-]1 ZINC001609600476 1171039384 /nfs/dbraw/zinc/03/93/84/1171039384.db2.gz LMIJOPQGEAWGIR-NSHDSACASA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCO[C@H](CF)C1 ZINC001609602748 1171040351 /nfs/dbraw/zinc/04/03/51/1171040351.db2.gz GRHLUSWYGOUOMN-MRVPVSSYSA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCO[C@H](CF)C1 ZINC001609602748 1171040356 /nfs/dbraw/zinc/04/03/56/1171040356.db2.gz GRHLUSWYGOUOMN-MRVPVSSYSA-N -1 3 308.273 0.950 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CCn1ccc([N+](=O)[O-])n1 ZINC001609854472 1171105336 /nfs/dbraw/zinc/10/53/36/1171105336.db2.gz VSTCTNPHTAPYHY-WYUUTHIRSA-N -1 3 324.337 0.886 20 5 DCBDHM COC(=O)COc1ccc(CN(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001610187953 1171191359 /nfs/dbraw/zinc/19/13/59/1171191359.db2.gz VYZNZFJSXXGOJW-UHFFFAOYSA-N -1 3 312.278 0.663 20 5 DCBDHM C[S@@](=O)CCNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610379423 1171227054 /nfs/dbraw/zinc/22/70/54/1171227054.db2.gz RDUMRWLLQBXJIC-OAQYLSRUSA-N -1 3 316.335 0.526 20 5 DCBDHM Cc1c[nH]c([N-]c2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 ZINC001642419427 1171943673 /nfs/dbraw/zinc/94/36/73/1171943673.db2.gz CSJPWUMWLILKNQ-UHFFFAOYSA-N -1 3 305.298 0.997 20 5 DCBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC001657191750 1173910044 /nfs/dbraw/zinc/91/00/44/1173910044.db2.gz PIKIZGTWMUEOLI-LLVKDONJSA-N -1 3 319.314 0.666 20 5 DCBDHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001660633943 1174029488 /nfs/dbraw/zinc/02/94/88/1174029488.db2.gz NXZFNQXBGMZVOG-SSDOTTSWSA-N -1 3 321.380 0.768 20 5 DCBDHM CN1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001671961201 1175048420 /nfs/dbraw/zinc/04/84/20/1175048420.db2.gz YYYMDBJQBIHCIF-SNVBAGLBSA-N -1 3 314.367 0.608 20 5 DCBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnon1 ZINC001105447522 749569938 /nfs/dbraw/zinc/56/99/38/749569938.db2.gz DNYAXWFTRNSYBI-UHFFFAOYSA-N -1 3 322.281 0.287 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cncnc1 ZINC001101561380 764157587 /nfs/dbraw/zinc/15/75/87/764157587.db2.gz UBSYPFOBLCWHTR-UHFFFAOYSA-N -1 3 318.293 0.670 20 5 DCBDHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001144528199 766967159 /nfs/dbraw/zinc/96/71/59/766967159.db2.gz RHTJENVOGYRLRI-UHFFFAOYSA-N -1 3 307.291 0.704 20 5 DCBDHM Cc1nonc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093707558 768691606 /nfs/dbraw/zinc/69/16/06/768691606.db2.gz BUXFIYYOENRRMN-UHFFFAOYSA-N -1 3 308.254 0.229 20 5 DCBDHM COCCC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095161712 769626220 /nfs/dbraw/zinc/62/62/20/769626220.db2.gz NKFVSSORONLOSA-UHFFFAOYSA-N -1 3 324.337 0.771 20 5 DCBDHM COC(=O)NCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001190302026 772614384 /nfs/dbraw/zinc/61/43/84/772614384.db2.gz CDRFCLLXNCUURH-UHFFFAOYSA-N -1 3 323.352 0.599 20 5 DCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC001253223201 946099101 /nfs/dbraw/zinc/09/91/01/946099101.db2.gz AJQKUBFJANUEML-UHFFFAOYSA-N -1 3 310.310 0.387 20 5 DCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001324625342 947486091 /nfs/dbraw/zinc/48/60/91/947486091.db2.gz MRGKCPHBMWLQAW-UHFFFAOYSA-N -1 3 315.289 0.992 20 5 DCBDHM CCOC(=O)[C@@H]1CNCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001326539374 948193775 /nfs/dbraw/zinc/19/37/75/948193775.db2.gz NIBBMPJGYXQTBX-ZDUSSCGKSA-N -1 3 309.322 0.637 20 5 DCBDHM C[C@@H]1CN(c2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2C)CCO1 ZINC001343530801 953351679 /nfs/dbraw/zinc/35/16/79/953351679.db2.gz MJCXMKZYCFZFGU-MRVPVSSYSA-N -1 3 320.309 0.716 20 5 DCBDHM COCCCN(C)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001349400869 954736980 /nfs/dbraw/zinc/73/69/80/954736980.db2.gz KOVZKFSEAYJFTI-UHFFFAOYSA-N -1 3 322.325 0.964 20 5 DCBDHM COc1c(O)ccc(CNC[C@](C)(O)C(=O)[O-])c1[N+](=O)[O-] ZINC001594048938 957961364 /nfs/dbraw/zinc/96/13/64/957961364.db2.gz YUXJLEAQIPATAR-LBPRGKRZSA-N -1 3 300.267 0.234 20 5 DCBDHM COc1ccc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cc1[N+](=O)[O-] ZINC001301697555 960007349 /nfs/dbraw/zinc/00/73/49/960007349.db2.gz PMAWDSXFTBELNP-UHFFFAOYSA-N -1 3 306.234 0.250 20 5 DCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COCO1 ZINC001309571739 960201254 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DCBDHM CSCC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352880790 415354828 /nfs/dbraw/zinc/35/48/28/415354828.db2.gz HYSFOUUQTLJCPB-VIFPVBQESA-N -1 3 320.392 0.987 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000048673805 415296372 /nfs/dbraw/zinc/29/63/72/415296372.db2.gz MLCZAHYFCMVHFG-MRVPVSSYSA-N -1 3 301.324 0.316 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000352779497 415314928 /nfs/dbraw/zinc/31/49/28/415314928.db2.gz PKQDDOCLQYUPBP-GFCCVEGCSA-N -1 3 320.305 0.210 20 5 DCBDHM O=C(N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000288398678 415678566 /nfs/dbraw/zinc/67/85/66/415678566.db2.gz FXVKXMLWYKUUAL-LLVKDONJSA-N -1 3 323.349 0.877 20 5 DCBDHM CCn1nc(C)c([N+](=O)[O-])c1[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000359477746 416347571 /nfs/dbraw/zinc/34/75/71/416347571.db2.gz DOZILZIOUHVXDF-UHFFFAOYSA-N -1 3 321.341 1.148 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000360541573 416395461 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COC[C@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000394662635 337123044 /nfs/dbraw/zinc/12/30/44/337123044.db2.gz LQOQQXYSPOARQJ-GFCCVEGCSA-N -1 3 318.351 0.412 20 5 DCBDHM CC(=O)N1CC([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000582915898 337217440 /nfs/dbraw/zinc/21/74/40/337217440.db2.gz SDYAUGQGAYHTAO-UHFFFAOYSA-N -1 3 313.335 0.412 20 5 DCBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)NCCN(C)C ZINC000575855641 341810852 /nfs/dbraw/zinc/81/08/52/341810852.db2.gz NWQFKKATQJWMPT-SECBINFHSA-N -1 3 324.337 0.097 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCn2cnnc2C1 ZINC000738359421 598338126 /nfs/dbraw/zinc/33/81/26/598338126.db2.gz RDFQMNXZUPYSKE-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCn2cnnc2C1 ZINC000738359421 598338128 /nfs/dbraw/zinc/33/81/28/598338128.db2.gz RDFQMNXZUPYSKE-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM Nc1ncncc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826397218 607848938 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C[C@H](CN(C)c1nc2ccccn2c1[N+](=O)[O-])c1nn[n-]n1 ZINC000763204034 668400775 /nfs/dbraw/zinc/40/07/75/668400775.db2.gz FEVAELBWXBRHOI-MRVPVSSYSA-N -1 3 302.298 0.996 20 5 DCBDHM CCNC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777900841 668892753 /nfs/dbraw/zinc/89/27/53/668892753.db2.gz VFIJUTVVHSZALF-UHFFFAOYSA-N -1 3 301.249 0.939 20 5 DCBDHM O=C(COC(=O)c1cnn[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000805608533 668899884 /nfs/dbraw/zinc/89/98/84/668899884.db2.gz FZNAUKXDQAECEW-UHFFFAOYSA-N -1 3 317.261 0.459 20 5 DCBDHM O=C(COC(=O)c1c[n-]nn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000805608533 668899886 /nfs/dbraw/zinc/89/98/86/668899886.db2.gz FZNAUKXDQAECEW-UHFFFAOYSA-N -1 3 317.261 0.459 20 5 DCBDHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000805608837 668900029 /nfs/dbraw/zinc/90/00/29/668900029.db2.gz JMNKJDRVVQXQSA-SSDOTTSWSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000805608837 668900030 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DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001576365093 1164316485 /nfs/dbraw/zinc/31/64/85/1164316485.db2.gz NYIVDDPJPHNOST-GMSGAONNSA-N -1 3 305.298 0.377 20 5 DCBDHM Cc1c[nH]c(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001580575607 1165642403 /nfs/dbraw/zinc/64/24/03/1165642403.db2.gz LKZGHQYMFONUII-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1c[nH]c(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001580575607 1165642408 /nfs/dbraw/zinc/64/24/08/1165642408.db2.gz LKZGHQYMFONUII-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001583382585 1166248279 /nfs/dbraw/zinc/24/82/79/1166248279.db2.gz FKTBCNLWQDJNSA-CYBMUJFWSA-N -1 3 318.289 0.749 20 5 DCBDHM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001588824398 1166600739 /nfs/dbraw/zinc/60/07/39/1166600739.db2.gz KOTCBCKAFWWDGV-SNVBAGLBSA-N -1 3 317.309 0.808 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[C@H]1O ZINC001590316933 1166860471 /nfs/dbraw/zinc/86/04/71/1166860471.db2.gz WRMPXVCWFWSISP-GMSGAONNSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[C@H]1O ZINC001590316933 1166860478 /nfs/dbraw/zinc/86/04/78/1166860478.db2.gz WRMPXVCWFWSISP-GMSGAONNSA-N -1 3 319.325 0.564 20 5 DCBDHM CCN1CC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590731316 1166988479 /nfs/dbraw/zinc/98/84/79/1166988479.db2.gz NZFSHEVWPVXNIG-QMMMGPOBSA-N -1 3 304.314 0.676 20 5 DCBDHM CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC001590731669 1166988534 /nfs/dbraw/zinc/98/85/34/1166988534.db2.gz AQOMICBYSPEGKI-LLVKDONJSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC001590731669 1166988540 /nfs/dbraw/zinc/98/85/40/1166988540.db2.gz AQOMICBYSPEGKI-LLVKDONJSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590736658 1166995967 /nfs/dbraw/zinc/99/59/67/1166995967.db2.gz UEXSGWBTYZFQPC-UHFFFAOYSA-N -1 3 304.314 0.312 20 5 DCBDHM CCN1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590736658 1166995972 /nfs/dbraw/zinc/99/59/72/1166995972.db2.gz UEXSGWBTYZFQPC-UHFFFAOYSA-N -1 3 304.314 0.312 20 5 DCBDHM CCOCC[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590808072 1167025542 /nfs/dbraw/zinc/02/55/42/1167025542.db2.gz APOZXRYESQGQRB-VIFPVBQESA-N -1 3 323.309 0.941 20 5 DCBDHM CCOCC[C@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590808072 1167025545 /nfs/dbraw/zinc/02/55/45/1167025545.db2.gz APOZXRYESQGQRB-VIFPVBQESA-N -1 3 323.309 0.941 20 5 DCBDHM CN(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591003121 1167071998 /nfs/dbraw/zinc/07/19/98/1167071998.db2.gz DBKMGEIOLSXUMC-UHFFFAOYSA-N -1 3 320.313 0.458 20 5 DCBDHM CN(Cc1cn(C)nn1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591150866 1167117815 /nfs/dbraw/zinc/11/78/15/1167117815.db2.gz MLNDICAQMAGBRT-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1cn(C)nn1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591150866 1167117818 /nfs/dbraw/zinc/11/78/18/1167117818.db2.gz MLNDICAQMAGBRT-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN1CCOC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591194856 1167144437 /nfs/dbraw/zinc/14/44/37/1167144437.db2.gz KEDWWJXFFQGJDO-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCOC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591194856 1167144442 /nfs/dbraw/zinc/14/44/42/1167144442.db2.gz KEDWWJXFFQGJDO-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CNC(=O)CCSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591208198 1167158166 /nfs/dbraw/zinc/15/81/66/1167158166.db2.gz DKTCWNCPHRQNSJ-UHFFFAOYSA-N -1 3 323.338 0.585 20 5 DCBDHM CNC(=O)CCSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591208198 1167158170 /nfs/dbraw/zinc/15/81/70/1167158170.db2.gz DKTCWNCPHRQNSJ-UHFFFAOYSA-N -1 3 323.338 0.585 20 5 DCBDHM COC(=O)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591264480 1167186536 /nfs/dbraw/zinc/18/65/36/1167186536.db2.gz CLDOXPOYEIYJFQ-UHFFFAOYSA-N -1 3 310.245 0.889 20 5 DCBDHM COC(=O)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591264480 1167186539 /nfs/dbraw/zinc/18/65/39/1167186539.db2.gz CLDOXPOYEIYJFQ-UHFFFAOYSA-N -1 3 310.245 0.889 20 5 DCBDHM COC(=O)COCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591267370 1167188253 /nfs/dbraw/zinc/18/82/53/1167188253.db2.gz HXIRZWVGEXNXNO-UHFFFAOYSA-N -1 3 322.281 0.376 20 5 DCBDHM COC(=O)COCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591267370 1167188261 /nfs/dbraw/zinc/18/82/61/1167188261.db2.gz HXIRZWVGEXNXNO-UHFFFAOYSA-N -1 3 322.281 0.376 20 5 DCBDHM CO[C@](C)(CO)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591318913 1167212743 /nfs/dbraw/zinc/21/27/43/1167212743.db2.gz ODMAPZLNGZFWQZ-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM Cc1cc(N2CC[C@@H](O)[C@@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002256 1167432331 /nfs/dbraw/zinc/43/23/31/1167432331.db2.gz QKELFXDPCYKYHN-JOYOIKCWSA-N -1 3 322.300 0.992 20 5 DCBDHM Cc1cc(N2CC[C@@H](O)[C@@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002256 1167432335 /nfs/dbraw/zinc/43/23/35/1167432335.db2.gz QKELFXDPCYKYHN-JOYOIKCWSA-N -1 3 322.300 0.992 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](O)[C@@H](F)C2)c1-c1nnn[n-]1 ZINC001592755888 1167633182 /nfs/dbraw/zinc/63/31/82/1167633182.db2.gz CEIHJQLTTWIFKB-RCOVLWMOSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](O)[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001592755888 1167633187 /nfs/dbraw/zinc/63/31/87/1167633187.db2.gz CEIHJQLTTWIFKB-RCOVLWMOSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](O)CC2)c1-c1nnn[n-]1 ZINC001592757216 1167633433 /nfs/dbraw/zinc/63/34/33/1167633433.db2.gz NYTXGYJFDPFREB-MRVPVSSYSA-N -1 3 319.325 0.708 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](O)CC2)c1-c1nn[n-]n1 ZINC001592757216 1167633438 /nfs/dbraw/zinc/63/34/38/1167633438.db2.gz NYTXGYJFDPFREB-MRVPVSSYSA-N -1 3 319.325 0.708 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001592757120 1167633483 /nfs/dbraw/zinc/63/34/83/1167633483.db2.gz IFOIIKSTBXBNMS-HTQZYQBOSA-N -1 3 319.325 0.930 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001592757120 1167633486 /nfs/dbraw/zinc/63/34/86/1167633486.db2.gz IFOIIKSTBXBNMS-HTQZYQBOSA-N -1 3 319.325 0.930 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(Oc2cccc[n+]2[O-])c1-c1nnn[n-]1 ZINC001592758994 1167636352 /nfs/dbraw/zinc/63/63/52/1167636352.db2.gz NQDNTHLRURYEHH-UHFFFAOYSA-N -1 3 315.249 0.783 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(Oc2cccc[n+]2[O-])c1-c1nn[n-]n1 ZINC001592758994 1167636357 /nfs/dbraw/zinc/63/63/57/1167636357.db2.gz NQDNTHLRURYEHH-UHFFFAOYSA-N -1 3 315.249 0.783 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCO[C@H]1CCOC1 ZINC001593472202 1167860652 /nfs/dbraw/zinc/86/06/52/1167860652.db2.gz ZLJMSCLBJJNRKM-JTQLQIEISA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCO[C@H]1CCOC1 ZINC001593472202 1167860665 /nfs/dbraw/zinc/86/06/65/1167860665.db2.gz ZLJMSCLBJJNRKM-JTQLQIEISA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cnn(CCO)c1 ZINC001593470915 1167862098 /nfs/dbraw/zinc/86/20/98/1167862098.db2.gz QNQOFSJFXSGQBL-UHFFFAOYSA-N -1 3 316.281 0.707 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(CCO)c1 ZINC001593470915 1167862107 /nfs/dbraw/zinc/86/21/07/1167862107.db2.gz QNQOFSJFXSGQBL-UHFFFAOYSA-N -1 3 316.281 0.707 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC(O)(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476726 1167862581 /nfs/dbraw/zinc/86/25/81/1167862581.db2.gz WOYJJCRLWLYGQY-UHFFFAOYSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC(O)(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476726 1167862593 /nfs/dbraw/zinc/86/25/93/1167862593.db2.gz WOYJJCRLWLYGQY-UHFFFAOYSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCn3nccc3C2)c(-c2nnn[n-]2)c1 ZINC001593479015 1167868235 /nfs/dbraw/zinc/86/82/35/1167868235.db2.gz QGJCIOLOWRLKSC-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCn3nccc3C2)c(-c2nn[n-]n2)c1 ZINC001593479015 1167868248 /nfs/dbraw/zinc/86/82/48/1167868248.db2.gz QGJCIOLOWRLKSC-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCS(=O)(=O)C1 ZINC001593482009 1167869405 /nfs/dbraw/zinc/86/94/05/1167869405.db2.gz VEDDKMZACJCFCE-SSDOTTSWSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCS(=O)(=O)C1 ZINC001593482009 1167869416 /nfs/dbraw/zinc/86/94/16/1167869416.db2.gz VEDDKMZACJCFCE-SSDOTTSWSA-N -1 3 324.322 0.374 20 5 DCBDHM CC(C)(O)C1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603170617 1169266677 /nfs/dbraw/zinc/26/66/77/1169266677.db2.gz UGPQPEFRSQGLQY-UHFFFAOYSA-N -1 3 319.325 0.564 20 5 DCBDHM CC(C)(O)C1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603170617 1169266685 /nfs/dbraw/zinc/26/66/85/1169266685.db2.gz UGPQPEFRSQGLQY-UHFFFAOYSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1O ZINC001603908326 1169429600 /nfs/dbraw/zinc/42/96/00/1169429600.db2.gz BTNOBUVTNUQRAI-XCBNKYQSSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1O ZINC001603908326 1169429606 /nfs/dbraw/zinc/42/96/06/1169429606.db2.gz BTNOBUVTNUQRAI-XCBNKYQSSA-N -1 3 319.325 0.564 20 5 DCBDHM CC[C@@H](O)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604066859 1169484073 /nfs/dbraw/zinc/48/40/73/1169484073.db2.gz LPCVONWCOBDFAH-MRVPVSSYSA-N -1 3 321.293 0.979 20 5 DCBDHM CC[C@@H](O)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604066859 1169484078 /nfs/dbraw/zinc/48/40/78/1169484078.db2.gz LPCVONWCOBDFAH-MRVPVSSYSA-N -1 3 321.293 0.979 20 5 DCBDHM C[C@H](NCCn1cc(C(=O)[O-])nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001604339962 1169559771 /nfs/dbraw/zinc/55/97/71/1169559771.db2.gz FBHRALBUGPNLFK-QMMMGPOBSA-N -1 3 320.309 0.818 20 5 DCBDHM CO[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605000414 1169774410 /nfs/dbraw/zinc/77/44/10/1169774410.db2.gz XWEBGPQVWFAVCT-SSDOTTSWSA-N -1 3 307.266 0.853 20 5 DCBDHM CO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605000414 1169774415 /nfs/dbraw/zinc/77/44/15/1169774415.db2.gz XWEBGPQVWFAVCT-SSDOTTSWSA-N -1 3 307.266 0.853 20 5 DCBDHM CS(=O)(=O)C1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605353152 1169901365 /nfs/dbraw/zinc/90/13/65/1169901365.db2.gz RMOFJJPCSRQGNK-UHFFFAOYSA-N -1 3 324.322 0.008 20 5 DCBDHM CS(=O)(=O)C1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605353152 1169901369 /nfs/dbraw/zinc/90/13/69/1169901369.db2.gz RMOFJJPCSRQGNK-UHFFFAOYSA-N -1 3 324.322 0.008 20 5 DCBDHM Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1-c1nnn[n-]1 ZINC001606014752 1170051463 /nfs/dbraw/zinc/05/14/63/1170051463.db2.gz QTWIBTVGISXJSZ-UHFFFAOYSA-N -1 3 317.269 0.397 20 5 DCBDHM Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1[N+](=O)[O-] ZINC001606452467 1170209666 /nfs/dbraw/zinc/20/96/66/1170209666.db2.gz XGKFJJFFTRPDQF-UHFFFAOYSA-N -1 3 314.265 0.938 20 5 DCBDHM Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1[N+](=O)[O-] ZINC001606452467 1170209669 /nfs/dbraw/zinc/20/96/69/1170209669.db2.gz 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CCN(C)C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609220741 1170874900 /nfs/dbraw/zinc/87/49/00/1170874900.db2.gz MVAGLBQHKHIBGX-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CNC(=O)CCCN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609287963 1170914993 /nfs/dbraw/zinc/91/49/93/1170914993.db2.gz OKYYUJQVGKRPID-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CNC(=O)CCCN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609287963 1170914998 /nfs/dbraw/zinc/91/49/98/1170914998.db2.gz OKYYUJQVGKRPID-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC([C@H]3CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC001609603630 1171039263 /nfs/dbraw/zinc/03/92/63/1171039263.db2.gz SDTSEZRBMQIZHP-QMMMGPOBSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC([C@H]3CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC001609603630 1171039271 /nfs/dbraw/zinc/03/92/71/1171039271.db2.gz SDTSEZRBMQIZHP-QMMMGPOBSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2(CCO)CC2)c(-c2nnn[n-]2)c1 ZINC001609603580 1171040969 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O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCc1c[n-][nH]c1=O ZINC001454186992 1008984365 /nfs/dbraw/zinc/98/43/65/1008984365.db2.gz QFSFWTMFVWUWRX-SNVBAGLBSA-N -1 3 322.296 0.905 20 5 DCBDHM COC(=O)C1=NO[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001559261088 1012409669 /nfs/dbraw/zinc/40/96/69/1012409669.db2.gz LVUPAFJHQYHHRD-ZDUSSCGKSA-N -1 3 322.277 0.594 20 5 DCBDHM COC[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000279888180 215209658 /nfs/dbraw/zinc/20/96/58/215209658.db2.gz FMLJIOLYRTYXHM-SECBINFHSA-N -1 3 304.249 0.810 20 5 DCBDHM COc1nnc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[n-]1 ZINC000179373575 199024956 /nfs/dbraw/zinc/02/49/56/199024956.db2.gz CMTBHVGIKLJRGF-UHFFFAOYSA-N -1 3 309.286 0.564 20 5 DCBDHM COc1nc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[n-]1 ZINC000179373575 199024958 /nfs/dbraw/zinc/02/49/58/199024958.db2.gz CMTBHVGIKLJRGF-UHFFFAOYSA-N -1 3 309.286 0.564 20 5 DCBDHM COc1n[n-]c(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000179373575 199024959 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DCBDHM CCCc1[nH]nc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1[N+](=O)[O-] ZINC000273538359 395928394 /nfs/dbraw/zinc/92/83/94/395928394.db2.gz SQNSPTABQCKSKY-ZETCQYMHSA-N -1 3 322.329 0.659 20 5 DCBDHM CCCc1n[nH]c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000273538359 395928397 /nfs/dbraw/zinc/92/83/97/395928397.db2.gz SQNSPTABQCKSKY-ZETCQYMHSA-N -1 3 322.329 0.659 20 5 DCBDHM CCCc1[nH]nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000273538359 395928399 /nfs/dbraw/zinc/92/83/99/395928399.db2.gz SQNSPTABQCKSKY-ZETCQYMHSA-N -1 3 322.329 0.659 20 5 DCBDHM COC(=O)c1cnc(N(C)C[C@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000276839771 396031595 /nfs/dbraw/zinc/03/15/95/396031595.db2.gz WFSZDDWVZFTFOG-ZETCQYMHSA-N -1 3 321.297 0.529 20 5 DCBDHM COC(=O)c1cnc(N(C)C[C@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000276839771 396031598 /nfs/dbraw/zinc/03/15/98/396031598.db2.gz WFSZDDWVZFTFOG-ZETCQYMHSA-N -1 3 321.297 0.529 20 5 DCBDHM O=C(NC1(c2nnc[nH]2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280944899 396231298 /nfs/dbraw/zinc/23/12/98/396231298.db2.gz ZOAOIIMYDNPBTD-UHFFFAOYSA-N -1 3 304.266 0.623 20 5 DCBDHM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CN1CCOCC1 ZINC000265659126 396334381 /nfs/dbraw/zinc/33/43/81/396334381.db2.gz AONZPJKTFBOEOS-SNVBAGLBSA-N -1 3 324.337 0.394 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(N)=O ZINC000292103673 396530459 /nfs/dbraw/zinc/53/04/59/396530459.db2.gz LLSKJOZTDSULPK-SECBINFHSA-N -1 3 315.351 0.754 20 5 DCBDHM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595353576 396594165 /nfs/dbraw/zinc/59/41/65/396594165.db2.gz SBQRBUCWPFYAGB-JTQLQIEISA-N -1 3 313.335 0.398 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588863728 396695594 /nfs/dbraw/zinc/69/55/94/396695594.db2.gz VIBUYIQVZFDTAX-NEPJUHHUSA-N -1 3 321.333 0.582 20 5 DCBDHM O=C1NCCN1[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596091098 396716929 /nfs/dbraw/zinc/71/69/29/396716929.db2.gz HVJBZFSLLCDIBX-VIFPVBQESA-N -1 3 307.310 0.689 20 5 DCBDHM CN(C)CCn1cc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cn1 ZINC000589565643 396718733 /nfs/dbraw/zinc/71/87/33/396718733.db2.gz WRWORVGRHRKZPT-UHFFFAOYSA-N -1 3 319.325 0.590 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589934727 396731045 /nfs/dbraw/zinc/73/10/45/396731045.db2.gz CGZMQJMZPWPNNF-ZETCQYMHSA-N -1 3 317.323 0.016 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(N)=O)CCC1 ZINC000610970712 396796085 /nfs/dbraw/zinc/79/60/85/396796085.db2.gz GSHHKNFDRCWEGN-UHFFFAOYSA-N -1 3 313.335 0.590 20 5 DCBDHM O=C(COc1ccccc1[N+](=O)[O-])NCCCc1cc(=O)[nH][n-]1 ZINC000597664903 397050438 /nfs/dbraw/zinc/05/04/38/397050438.db2.gz OWCSBXKNGBMCNL-UHFFFAOYSA-N -1 3 320.305 0.746 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000609619432 397786140 /nfs/dbraw/zinc/78/61/40/397786140.db2.gz RWDMUDJIXKIYKN-MRVPVSSYSA-N -1 3 323.284 0.558 20 5 DCBDHM COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063744359 158031080 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DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000126322006 415873963 /nfs/dbraw/zinc/87/39/63/415873963.db2.gz KGWLTIIATYVQOI-SECBINFHSA-N -1 3 315.351 0.624 20 5 DCBDHM CCc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000297218291 415956751 /nfs/dbraw/zinc/95/67/51/415956751.db2.gz VSAFUBSCDCJNLY-UHFFFAOYSA-N -1 3 311.323 0.754 20 5 DCBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-]CC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000301075126 416075003 /nfs/dbraw/zinc/07/50/03/416075003.db2.gz HJLUFIDXQHKDRS-UHFFFAOYSA-N -1 3 324.293 0.994 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337937473 416024176 /nfs/dbraw/zinc/02/41/76/416024176.db2.gz RIOMWUFBLBVJGX-UHFFFAOYSA-N -1 3 301.324 0.318 20 5 DCBDHM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352139526 416293935 /nfs/dbraw/zinc/29/39/35/416293935.db2.gz FTNIKWKWZFCDLA-UHFFFAOYSA-N -1 3 319.314 0.666 20 5 DCBDHM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000565960836 417035047 /nfs/dbraw/zinc/03/50/47/417035047.db2.gz NYBMAFCIKKWMBY-VIFPVBQESA-N -1 3 324.337 0.097 20 5 DCBDHM O=C(NC[C@]1(O)CN2CCC1CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000571059234 417417396 /nfs/dbraw/zinc/41/73/96/417417396.db2.gz OPZRQNDOAZFDBX-HNNXBMFYSA-N -1 3 321.333 0.487 20 5 DCBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)NC ZINC000452080194 417445795 /nfs/dbraw/zinc/44/57/95/417445795.db2.gz IPEJGASKZMZNHW-VIFPVBQESA-N -1 3 315.351 0.706 20 5 DCBDHM O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452349591 417471242 /nfs/dbraw/zinc/47/12/42/417471242.db2.gz NBUDHVXSNSBFTN-JTQLQIEISA-N -1 3 324.337 0.272 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)NC ZINC000452080192 287473522 /nfs/dbraw/zinc/47/35/22/287473522.db2.gz IPEJGASKZMZNHW-SECBINFHSA-N -1 3 315.351 0.706 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000355325244 261331154 /nfs/dbraw/zinc/33/11/54/261331154.db2.gz NSOLXCYXSRKDFQ-MASHWEEQSA-N -1 3 316.317 0.844 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000362120372 262000885 /nfs/dbraw/zinc/00/08/85/262000885.db2.gz VCXAOAPLAQDEDG-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000362120372 262000887 /nfs/dbraw/zinc/00/08/87/262000887.db2.gz VCXAOAPLAQDEDG-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000358964431 271082993 /nfs/dbraw/zinc/08/29/93/271082993.db2.gz PZVLOBPFWJOKRD-UHFFFAOYSA-N -1 3 318.293 0.493 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000360029392 271160739 /nfs/dbraw/zinc/16/07/39/271160739.db2.gz MXMCOZUQPYYMRH-ZCFIWIBFSA-N -1 3 321.380 0.720 20 5 DCBDHM CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000420043248 271354612 /nfs/dbraw/zinc/35/46/12/271354612.db2.gz OOFFDRVCKHYTFA-CYBMUJFWSA-N -1 3 312.326 0.128 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCCc2c(C)[n-][nH]c2=O)n1 ZINC000553050534 288285467 /nfs/dbraw/zinc/28/54/67/288285467.db2.gz TXOORVPHCAZICI-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM CCCN(CC(=O)NC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736469170 599118896 /nfs/dbraw/zinc/11/88/96/599118896.db2.gz HIBKFSHWYKYVPX-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCCN(CC(=O)NC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736469170 599118897 /nfs/dbraw/zinc/11/88/97/599118897.db2.gz HIBKFSHWYKYVPX-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCCNC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821114419 599411641 /nfs/dbraw/zinc/41/16/41/599411641.db2.gz REMNJQZNXSJBQR-UHFFFAOYSA-N -1 3 306.286 0.108 20 5 DCBDHM CCCNC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821114419 599411643 /nfs/dbraw/zinc/41/16/43/599411643.db2.gz REMNJQZNXSJBQR-UHFFFAOYSA-N -1 3 306.286 0.108 20 5 DCBDHM NC(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000822860076 606645083 /nfs/dbraw/zinc/64/50/83/606645083.db2.gz MVOIBVPGUCYSMG-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM CN(C[C@@H]1CCC[C@H]1O)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825908320 607852048 /nfs/dbraw/zinc/85/20/48/607852048.db2.gz GRILUPHVRZKBSF-GZMMTYOYSA-N -1 3 319.325 0.767 20 5 DCBDHM CN(C[C@@H]1CCC[C@H]1O)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825908320 607852049 /nfs/dbraw/zinc/85/20/49/607852049.db2.gz GRILUPHVRZKBSF-GZMMTYOYSA-N -1 3 319.325 0.767 20 5 DCBDHM COC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826152125 608230964 /nfs/dbraw/zinc/23/09/64/608230964.db2.gz RGNLRESTUNKLTB-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826152125 608230966 /nfs/dbraw/zinc/23/09/66/608230966.db2.gz RGNLRESTUNKLTB-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COC(=O)c1cc([N-]C(=O)c2cnn(C)n2)cc([N+](=O)[O-])c1 ZINC000786203556 669299263 /nfs/dbraw/zinc/29/92/63/669299263.db2.gz MOLWVLRGIYTOOY-UHFFFAOYSA-N -1 3 305.250 0.762 20 5 DCBDHM O=C([N-][C@@H]1CNC(=O)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848587462 670698445 /nfs/dbraw/zinc/69/84/45/670698445.db2.gz VNNHNINGFBXZTO-ZETCQYMHSA-N -1 3 315.232 0.571 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCn3ccnc32)nc1 ZINC000845942268 672284048 /nfs/dbraw/zinc/28/40/48/672284048.db2.gz WQECMCNTRCTLBB-VIFPVBQESA-N -1 3 309.307 0.610 20 5 DCBDHM CC(C)(CCC(=O)Nc1ccncc1-c1nnn[n-]1)[N+](=O)[O-] ZINC001573900840 1163579806 /nfs/dbraw/zinc/57/98/06/1163579806.db2.gz KJXBRMGHTFQNHI-UHFFFAOYSA-N -1 3 305.298 0.458 20 5 DCBDHM CC(C)(CCC(=O)Nc1ccncc1-c1nn[n-]n1)[N+](=O)[O-] ZINC001573900840 1163579809 /nfs/dbraw/zinc/57/98/09/1163579809.db2.gz KJXBRMGHTFQNHI-UHFFFAOYSA-N -1 3 305.298 0.458 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(COC)n2)n1 ZINC001586314874 1166493810 /nfs/dbraw/zinc/49/38/10/1166493810.db2.gz YZAUKVVWQOBJLP-UHFFFAOYSA-N -1 3 306.282 1.000 20 5 DCBDHM CC(=O)NCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588862187 1166610458 /nfs/dbraw/zinc/61/04/58/1166610458.db2.gz PXZSWSRNQIWVRY-UHFFFAOYSA-N -1 3 320.313 0.295 20 5 DCBDHM CC(=O)NCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588862187 1166610463 /nfs/dbraw/zinc/61/04/63/1166610463.db2.gz PXZSWSRNQIWVRY-UHFFFAOYSA-N -1 3 320.313 0.295 20 5 DCBDHM CC(C)C(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589405594 1166656513 /nfs/dbraw/zinc/65/65/13/1166656513.db2.gz JOPBSJVORDQWNE-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC(C)C(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589405594 1166656516 /nfs/dbraw/zinc/65/65/16/1166656516.db2.gz JOPBSJVORDQWNE-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC001590109340 1166775900 /nfs/dbraw/zinc/77/59/00/1166775900.db2.gz UKONDLGMAUWZPN-VIFPVBQESA-N -1 3 305.298 0.377 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O ZINC001590109340 1166775908 /nfs/dbraw/zinc/77/59/08/1166775908.db2.gz UKONDLGMAUWZPN-VIFPVBQESA-N -1 3 305.298 0.377 20 5 DCBDHM CN1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001591193615 1167143295 /nfs/dbraw/zinc/14/32/95/1167143295.db2.gz STAXDOWCQZSZPU-UHFFFAOYSA-N -1 3 317.309 0.049 20 5 DCBDHM CN1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001591193615 1167143296 /nfs/dbraw/zinc/14/32/96/1167143296.db2.gz STAXDOWCQZSZPU-UHFFFAOYSA-N -1 3 317.309 0.049 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591198473 1167148366 /nfs/dbraw/zinc/14/83/66/1167148366.db2.gz SZZDDJQAZUXWPN-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591198473 1167148373 /nfs/dbraw/zinc/14/83/73/1167148373.db2.gz SZZDDJQAZUXWPN-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM COC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001591396282 1167265815 /nfs/dbraw/zinc/26/58/15/1167265815.db2.gz WDUUWUKGRKQHRM-SECBINFHSA-N -1 3 321.297 0.022 20 5 DCBDHM COC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591396282 1167265821 /nfs/dbraw/zinc/26/58/21/1167265821.db2.gz WDUUWUKGRKQHRM-SECBINFHSA-N -1 3 321.297 0.022 20 5 DCBDHM Cc1cc(=O)n(Cc2cncc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001591903276 1167415776 /nfs/dbraw/zinc/41/57/76/1167415776.db2.gz PWZHWZUGEQEONT-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Cc1cc(=O)n(Cc2cncc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001591903276 1167415777 /nfs/dbraw/zinc/41/57/77/1167415777.db2.gz PWZHWZUGEQEONT-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Cc1cnc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1 ZINC001592294179 1167485747 /nfs/dbraw/zinc/48/57/47/1167485747.db2.gz VHPGQNJRCFQHTH-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cc1cnc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1 ZINC001592294179 1167485749 /nfs/dbraw/zinc/48/57/49/1167485749.db2.gz VHPGQNJRCFQHTH-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001592752752 1167631830 /nfs/dbraw/zinc/63/18/30/1167631830.db2.gz BSEQRCOUMVRFPE-UHFFFAOYSA-N -1 3 306.267 0.304 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1nnc[nH]1 ZINC001593465630 1167853957 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O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCO[C@H](CCF)C1 ZINC001593470942 1167864522 /nfs/dbraw/zinc/86/45/22/1167864522.db2.gz RJALGYPJTYQEDL-SECBINFHSA-N -1 3 323.288 0.735 20 5 DCBDHM O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccncc1-c1nnn[n-]1 ZINC001593493840 1167876010 /nfs/dbraw/zinc/87/60/10/1167876010.db2.gz PXLKCJAPAXQMCY-UHFFFAOYSA-N -1 3 317.240 0.519 20 5 DCBDHM O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccncc1-c1nn[n-]n1 ZINC001593493840 1167876016 /nfs/dbraw/zinc/87/60/16/1167876016.db2.gz PXLKCJAPAXQMCY-UHFFFAOYSA-N -1 3 317.240 0.519 20 5 DCBDHM C[C@@H](CCO)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603495468 1169313461 /nfs/dbraw/zinc/31/34/61/1169313461.db2.gz PISPDNQEIDLOKW-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@@H](CCO)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603495468 1169313467 /nfs/dbraw/zinc/31/34/67/1169313467.db2.gz PISPDNQEIDLOKW-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@]1(O)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603819146 1169404303 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DCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000275122969 212133133 /nfs/dbraw/zinc/13/31/33/212133133.db2.gz YUWWNTFHTVNOKS-LURJTMIESA-N -1 3 308.287 0.402 20 5 DCBDHM CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000288390593 220126517 /nfs/dbraw/zinc/12/65/17/220126517.db2.gz JQKGFWOGYVBSEF-ZDUSSCGKSA-N -1 3 322.325 0.298 20 5 DCBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000035610118 395721241 /nfs/dbraw/zinc/72/12/41/395721241.db2.gz OPWMRYBTEKSNDI-QMMMGPOBSA-N -1 3 304.324 0.653 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049843144 395834878 /nfs/dbraw/zinc/83/48/78/395834878.db2.gz OMLNBDMPIDXQNF-ZCFIWIBFSA-N -1 3 306.271 0.574 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1COCCO1 ZINC000055282784 395915643 /nfs/dbraw/zinc/91/56/43/395915643.db2.gz UNIAXQXXLIHUDN-JTQLQIEISA-N -1 3 316.335 0.597 20 5 DCBDHM O=C([N-][C@]1(CO)CCOC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000273460301 395923216 /nfs/dbraw/zinc/92/32/16/395923216.db2.gz ZURHAAMAWCTUNJ-LBPRGKRZSA-N -1 3 316.260 0.954 20 5 DCBDHM C[C@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc([N+](=O)[O-])c1 ZINC000058516631 395954057 /nfs/dbraw/zinc/95/40/57/395954057.db2.gz KXYMANSZSRXFIX-KWQFWETISA-N -1 3 320.305 0.760 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(CC2CC2)CC1 ZINC000186975937 396361397 /nfs/dbraw/zinc/36/13/97/396361397.db2.gz FBJPSRFDYLYXKX-UHFFFAOYSA-N -1 3 306.322 0.863 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588863729 396696899 /nfs/dbraw/zinc/69/68/99/396696899.db2.gz VIBUYIQVZFDTAX-NWDGAFQWSA-N -1 3 321.333 0.582 20 5 DCBDHM O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295527286 396699009 /nfs/dbraw/zinc/69/90/09/396699009.db2.gz RAEQIRBHHHFTCS-GFCCVEGCSA-N -1 3 323.349 0.877 20 5 DCBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000596224276 396735721 /nfs/dbraw/zinc/73/57/21/396735721.db2.gz YOTKKUMITIQINE-JTQLQIEISA-N -1 3 310.354 0.977 20 5 DCBDHM COC(=O)c1n[nH]c2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596257373 396746079 /nfs/dbraw/zinc/74/60/79/396746079.db2.gz NLUNURNGQMRPOM-UHFFFAOYSA-N -1 3 319.277 0.768 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)CCF ZINC000593657887 397420597 /nfs/dbraw/zinc/42/05/97/397420597.db2.gz SDOJDPVESHBWOZ-SECBINFHSA-N -1 3 306.315 0.902 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609619462 397786528 /nfs/dbraw/zinc/78/65/28/397786528.db2.gz WHQDIACRNWRFLW-GFCCVEGCSA-N -1 3 320.305 0.602 20 5 DCBDHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992866 397800347 /nfs/dbraw/zinc/80/03/47/397800347.db2.gz ZISUJLGPOPAREU-VIFPVBQESA-N -1 3 318.289 0.472 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]Cc2nncn2C)cc1[N+](=O)[O-] ZINC000123024307 158226030 /nfs/dbraw/zinc/22/60/30/158226030.db2.gz BVMYMFSBNAHSKG-UHFFFAOYSA-N -1 3 317.352 0.572 20 5 DCBDHM COCCNCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126854459 158269143 /nfs/dbraw/zinc/26/91/43/158269143.db2.gz CJXAGRIUUDLOLM-UHFFFAOYSA-N -1 3 321.330 0.248 20 5 DCBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000322642438 159012314 /nfs/dbraw/zinc/01/23/14/159012314.db2.gz YIUUFELKKQGWCT-AWEZNQCLSA-N -1 3 318.289 0.409 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000237135752 287065804 /nfs/dbraw/zinc/06/58/04/287065804.db2.gz ZOKYVLIZOJMJSX-UHFFFAOYSA-N -1 3 309.322 0.992 20 5 DCBDHM Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH]n1 ZINC000355043907 415837431 /nfs/dbraw/zinc/83/74/31/415837431.db2.gz MJIRDQSLEZHSJK-UHFFFAOYSA-N -1 3 302.254 0.694 20 5 DCBDHM C[C@H](CC(N)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000360487790 416392651 /nfs/dbraw/zinc/39/26/51/416392651.db2.gz AFSGDGHIQMCPHZ-ZCFIWIBFSA-N -1 3 321.742 0.790 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000361863787 416512548 /nfs/dbraw/zinc/51/25/48/416512548.db2.gz ZXBRYAUFJYTOAY-UHFFFAOYSA-N -1 3 305.229 0.762 20 5 DCBDHM CC(C)(O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000362104782 416564646 /nfs/dbraw/zinc/56/46/46/416564646.db2.gz DCYYMRBDPJZLSP-UHFFFAOYSA-N -1 3 324.337 0.224 20 5 DCBDHM O=C([N-]c1cnns1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429647457 287339260 /nfs/dbraw/zinc/33/92/60/287339260.db2.gz DMTFDVXFFNSZHJ-UHFFFAOYSA-N -1 3 307.291 0.701 20 5 DCBDHM O=C([N-]c1cnns1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000430002033 417012849 /nfs/dbraw/zinc/01/28/49/417012849.db2.gz FXITVZOREPETLJ-UHFFFAOYSA-N -1 3 321.318 0.744 20 5 DCBDHM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])N1 ZINC000433443858 417269467 /nfs/dbraw/zinc/26/94/67/417269467.db2.gz OJGLMLIXYPLMON-VIFPVBQESA-N -1 3 313.335 0.542 20 5 DCBDHM O=C1[N-]C(=O)[C@@H](Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)N1 ZINC000355685787 271022120 /nfs/dbraw/zinc/02/21/20/271022120.db2.gz DKSHTBTWHIZTKV-MRVPVSSYSA-N -1 3 317.261 0.319 20 5 DCBDHM CO[C@@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359223174 271106460 /nfs/dbraw/zinc/10/64/60/271106460.db2.gz XCLOGUVREPLXNW-GFCCVEGCSA-N -1 3 316.335 0.679 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CNCCC1(F)F ZINC000420445990 271371541 /nfs/dbraw/zinc/37/15/41/271371541.db2.gz NQTQZDMMVSTCGS-JTQLQIEISA-N -1 3 321.305 0.870 20 5 DCBDHM COc1nnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[n-]1 ZINC000352680333 278079185 /nfs/dbraw/zinc/07/91/85/278079185.db2.gz HLZOQTFRCFCIEG-UHFFFAOYSA-N -1 3 307.222 0.703 20 5 DCBDHM COc1nc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n[n-]1 ZINC000352680333 278079187 /nfs/dbraw/zinc/07/91/87/278079187.db2.gz HLZOQTFRCFCIEG-UHFFFAOYSA-N -1 3 307.222 0.703 20 5 DCBDHM COc1n[n-]c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000352680333 278079189 /nfs/dbraw/zinc/07/91/89/278079189.db2.gz HLZOQTFRCFCIEG-UHFFFAOYSA-N -1 3 307.222 0.703 20 5 DCBDHM C[C@@]1(C[C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)NC(=O)[N-]C1=O ZINC000343346864 278124452 /nfs/dbraw/zinc/12/44/52/278124452.db2.gz IQWCEUFBLKSSLT-OQPBUACISA-N -1 3 320.309 0.342 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000234809358 293112617 /nfs/dbraw/zinc/11/26/17/293112617.db2.gz XKVJDRZEWWBZCA-JTQLQIEISA-N -1 3 318.351 0.497 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC000229635025 524908408 /nfs/dbraw/zinc/90/84/08/524908408.db2.gz FGWWDEGAXKZUTG-GFCCVEGCSA-N -1 3 316.335 0.333 20 5 DCBDHM CN(Cc1cnn(C)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616756 599283630 /nfs/dbraw/zinc/28/36/30/599283630.db2.gz GABPCOLPGKUAAT-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1cnn(C)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616756 599283632 /nfs/dbraw/zinc/28/36/32/599283632.db2.gz GABPCOLPGKUAAT-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CC(C)NC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820134267 599408975 /nfs/dbraw/zinc/40/89/75/599408975.db2.gz YDGVCBVXJINWKH-UHFFFAOYSA-N -1 3 306.286 0.106 20 5 DCBDHM CC(C)NC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820134267 599408977 /nfs/dbraw/zinc/40/89/77/599408977.db2.gz YDGVCBVXJINWKH-UHFFFAOYSA-N -1 3 306.286 0.106 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@H]3CC[C@@H](C2)O3)c(-c2nnn[n-]2)c1 ZINC000823647964 599686054 /nfs/dbraw/zinc/68/60/54/599686054.db2.gz QUHXSOJTASHBCI-DTORHVGOSA-N -1 3 303.282 0.538 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@H]3CC[C@@H](C2)O3)c(-c2nn[n-]n2)c1 ZINC000823647964 599686055 /nfs/dbraw/zinc/68/60/55/599686055.db2.gz QUHXSOJTASHBCI-DTORHVGOSA-N -1 3 303.282 0.538 20 5 DCBDHM CN(CC1(O)CCCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825901150 607738548 /nfs/dbraw/zinc/73/85/48/607738548.db2.gz BORJCESLEUDPEC-UHFFFAOYSA-N -1 3 319.325 0.911 20 5 DCBDHM CN(CC1(O)CCCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825901150 607738549 /nfs/dbraw/zinc/73/85/49/607738549.db2.gz BORJCESLEUDPEC-UHFFFAOYSA-N -1 3 319.325 0.911 20 5 DCBDHM C[C@@H]1CO[C@H](CO)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820803918 607028804 /nfs/dbraw/zinc/02/88/04/607028804.db2.gz JRJXLZHWKNSNGG-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CO[C@H](CO)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820803918 607028805 /nfs/dbraw/zinc/02/88/05/607028805.db2.gz JRJXLZHWKNSNGG-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(N)c1-c1nnn[n-]1 ZINC000822500822 607159086 /nfs/dbraw/zinc/15/90/86/607159086.db2.gz IIJOLJPUIRIBHK-UHFFFAOYSA-N -1 3 300.282 0.910 20 5 DCBDHM Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(N)c1-c1nn[n-]n1 ZINC000822500822 607159088 /nfs/dbraw/zinc/15/90/88/607159088.db2.gz IIJOLJPUIRIBHK-UHFFFAOYSA-N -1 3 300.282 0.910 20 5 DCBDHM Cc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000826335445 609577793 /nfs/dbraw/zinc/57/77/93/609577793.db2.gz NLLZSBUMDXGAHP-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM Cc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000826335445 609577796 /nfs/dbraw/zinc/57/77/96/609577796.db2.gz NLLZSBUMDXGAHP-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCN2C)c([N+](=O)[O-])s1 ZINC000921412777 665301573 /nfs/dbraw/zinc/30/15/73/665301573.db2.gz VLJKYOHKUSDRAN-MRVPVSSYSA-N -1 3 305.381 0.947 20 5 DCBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]CC2OCCCO2)cc1 ZINC000788415091 669438513 /nfs/dbraw/zinc/43/85/13/669438513.db2.gz BDFLJMBEIXXHCU-UHFFFAOYSA-N -1 3 316.335 0.777 20 5 DCBDHM Cn1cnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000817153859 670902880 /nfs/dbraw/zinc/90/28/80/670902880.db2.gz UONLKKINXVGGIB-UHFFFAOYSA-N -1 3 305.279 0.980 20 5 DCBDHM CON(C)C(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000817667488 670931350 /nfs/dbraw/zinc/93/13/50/670931350.db2.gz RVYZQMFVWFKZFN-UHFFFAOYSA-N -1 3 317.248 0.823 20 5 DCBDHM Cc1cc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001580768095 1165714552 /nfs/dbraw/zinc/71/45/52/1165714552.db2.gz JWLCVDDDJONCGD-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Cc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001580768095 1165714559 /nfs/dbraw/zinc/71/45/59/1165714559.db2.gz JWLCVDDDJONCGD-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM CC(=O)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001588787002 1166590828 /nfs/dbraw/zinc/59/08/28/1166590828.db2.gz RWVQKWDPEFRPPU-UHFFFAOYSA-N -1 3 317.309 0.975 20 5 DCBDHM CC(=O)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001588787002 1166590834 /nfs/dbraw/zinc/59/08/34/1166590834.db2.gz RWVQKWDPEFRPPU-UHFFFAOYSA-N -1 3 317.309 0.975 20 5 DCBDHM C[C@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001589994722 1166740968 /nfs/dbraw/zinc/74/09/68/1166740968.db2.gz IJDLNYGFNPSYHF-UFBFGSQYSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001589994722 1166740973 /nfs/dbraw/zinc/74/09/73/1166740973.db2.gz IJDLNYGFNPSYHF-UFBFGSQYSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC[N+](=O)[O-] ZINC001590028901 1166757314 /nfs/dbraw/zinc/75/73/14/1166757314.db2.gz MMDNFDBOORINAJ-VIFPVBQESA-N -1 3 321.293 0.844 20 5 DCBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC[N+](=O)[O-] ZINC001590028901 1166757317 /nfs/dbraw/zinc/75/73/17/1166757317.db2.gz MMDNFDBOORINAJ-VIFPVBQESA-N -1 3 321.293 0.844 20 5 DCBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC001590134046 1166785231 /nfs/dbraw/zinc/78/52/31/1166785231.db2.gz LVNHQVBXFQHXDH-CYBMUJFWSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334410 1166874670 /nfs/dbraw/zinc/87/46/70/1166874670.db2.gz ROFXLGMSJFPCDP-JMCQJSRRSA-N -1 3 321.297 0.122 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334410 1166874676 /nfs/dbraw/zinc/87/46/76/1166874676.db2.gz ROFXLGMSJFPCDP-JMCQJSRRSA-N -1 3 321.297 0.122 20 5 DCBDHM CCCNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590637607 1166958451 /nfs/dbraw/zinc/95/84/51/1166958451.db2.gz AQSRASZJWFEMDP-UHFFFAOYSA-N -1 3 320.313 0.295 20 5 DCBDHM CCCNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590637607 1166958456 /nfs/dbraw/zinc/95/84/56/1166958456.db2.gz AQSRASZJWFEMDP-UHFFFAOYSA-N -1 3 320.313 0.295 20 5 DCBDHM CN(CCCCO)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591065280 1167100393 /nfs/dbraw/zinc/10/03/93/1167100393.db2.gz JHUIMRYYIRBBEV-UHFFFAOYSA-N -1 3 307.314 0.566 20 5 DCBDHM CN(CCCCO)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591065280 1167100396 /nfs/dbraw/zinc/10/03/96/1167100396.db2.gz JHUIMRYYIRBBEV-UHFFFAOYSA-N -1 3 307.314 0.566 20 5 DCBDHM CN(C[C@H]1COCCO1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591064923 1167100818 /nfs/dbraw/zinc/10/08/18/1167100818.db2.gz ZLFKBXVPWFOVSE-VIFPVBQESA-N -1 3 321.297 0.022 20 5 DCBDHM CN(C[C@H]1COCCO1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591064923 1167100824 /nfs/dbraw/zinc/10/08/24/1167100824.db2.gz ZLFKBXVPWFOVSE-VIFPVBQESA-N -1 3 321.297 0.022 20 5 DCBDHM CN(CC1CN(C)C1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591171455 1167126261 /nfs/dbraw/zinc/12/62/61/1167126261.db2.gz NPYDKEFWUIJKAL-UHFFFAOYSA-N -1 3 304.314 0.168 20 5 DCBDHM COC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591283885 1167201255 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COc1cc(C(=O)OC[C@H](C)[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591517907 1167320536 /nfs/dbraw/zinc/32/05/36/1167320536.db2.gz DSOYEEIOZXIECL-ZETCQYMHSA-N -1 3 307.266 0.697 20 5 DCBDHM C[C@@H]1C[C@H](O)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591757744 1167367620 /nfs/dbraw/zinc/36/76/20/1167367620.db2.gz OOQKTJHTKFXANA-SCZZXKLOSA-N -1 3 304.310 0.982 20 5 DCBDHM Cn1cnnc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592590759 1167573510 /nfs/dbraw/zinc/57/35/10/1167573510.db2.gz GUOCCBUNNSYJCE-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cnnc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592590759 1167573516 /nfs/dbraw/zinc/57/35/16/1167573516.db2.gz GUOCCBUNNSYJCE-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM NC(=O)[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592732869 1167621045 /nfs/dbraw/zinc/62/10/45/1167621045.db2.gz QZSDBTNMCOJCDS-APPZFPTMSA-N -1 3 317.309 0.841 20 5 DCBDHM NC(=O)[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592732869 1167621050 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/nfs/dbraw/zinc/55/29/07/1169552907.db2.gz BFEQAVMPFNTDPT-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM CCN(CCOCCO)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604318566 1169552913 /nfs/dbraw/zinc/55/29/13/1169552913.db2.gz BFEQAVMPFNTDPT-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM Cc1cc(N2CCOCCN2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605698257 1169987001 /nfs/dbraw/zinc/98/70/01/1169987001.db2.gz RWQLPZNZGXMQLY-UHFFFAOYSA-N -1 3 305.298 0.425 20 5 DCBDHM Cc1cc(N2CCOCCN2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605698257 1169987004 /nfs/dbraw/zinc/98/70/04/1169987004.db2.gz RWQLPZNZGXMQLY-UHFFFAOYSA-N -1 3 305.298 0.425 20 5 DCBDHM Nc1nc(NCc2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC001606456504 1170210575 /nfs/dbraw/zinc/21/05/75/1170210575.db2.gz JGNXCQCJIKODEE-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1nc(NCc2cccc(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC001606456504 1170210584 /nfs/dbraw/zinc/21/05/84/1170210584.db2.gz JGNXCQCJIKODEE-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM O=C(Cn1ncc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606624844 1170246293 /nfs/dbraw/zinc/24/62/93/1170246293.db2.gz GNNMYQFHXJWYOQ-UHFFFAOYSA-N -1 3 300.238 0.249 20 5 DCBDHM O=C(Cn1ncc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606624844 1170246294 /nfs/dbraw/zinc/24/62/94/1170246294.db2.gz GNNMYQFHXJWYOQ-UHFFFAOYSA-N -1 3 300.238 0.249 20 5 DCBDHM O=C(NCc1ccc(-c2nnn[n-]2)s1)c1[nH]ncc1[N+](=O)[O-] ZINC001606831891 1170307008 /nfs/dbraw/zinc/30/70/08/1170307008.db2.gz HKKJOKPVPPBBNH-UHFFFAOYSA-N -1 3 320.294 0.490 20 5 DCBDHM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1[nH]ncc1[N+](=O)[O-] ZINC001606831891 1170307014 /nfs/dbraw/zinc/30/70/14/1170307014.db2.gz HKKJOKPVPPBBNH-UHFFFAOYSA-N -1 3 320.294 0.490 20 5 DCBDHM O=C1NCC2(CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)O1 ZINC001607052326 1170373429 /nfs/dbraw/zinc/37/34/29/1170373429.db2.gz HDQGLLYWZLHJFP-UHFFFAOYSA-N -1 3 317.265 0.074 20 5 DCBDHM O=C1NCC2(CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)O1 ZINC001607052326 1170373434 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CC(C)NC(=O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609099894 1170808708 /nfs/dbraw/zinc/80/87/08/1170808708.db2.gz FYEUWYQUPPLYMH-UHFFFAOYSA-N -1 3 320.313 0.497 20 5 DCBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC001609136350 1170821755 /nfs/dbraw/zinc/82/17/55/1170821755.db2.gz MIYHLNDDMDOLRM-IUCAKERBSA-N -1 3 321.293 0.842 20 5 DCBDHM CC1(C)C[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(=O)O1 ZINC001609144413 1170823822 /nfs/dbraw/zinc/82/38/22/1170823822.db2.gz VKMJLTSRRIYUSN-ZETCQYMHSA-N -1 3 319.281 0.676 20 5 DCBDHM CC1(C)C[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(=O)O1 ZINC001609144413 1170823825 /nfs/dbraw/zinc/82/38/25/1170823825.db2.gz VKMJLTSRRIYUSN-ZETCQYMHSA-N -1 3 319.281 0.676 20 5 DCBDHM CC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609198193 1170864941 /nfs/dbraw/zinc/86/49/41/1170864941.db2.gz OIBPUWPGFJVTRH-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM CC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609198193 1170864950 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Cn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001609479412 1170991129 /nfs/dbraw/zinc/99/11/29/1170991129.db2.gz OAZSDOCZHLCOPV-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC001609479412 1170991132 /nfs/dbraw/zinc/99/11/32/1170991132.db2.gz OAZSDOCZHLCOPV-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cc1nn(C)c(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1[N+](=O)[O-] ZINC001613030585 1171366363 /nfs/dbraw/zinc/36/63/63/1171366363.db2.gz VJNJUOKTZVIIFO-SECBINFHSA-N -1 3 319.325 0.823 20 5 DCBDHM Cc1nc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)ncc1[N+](=O)[O-] ZINC001643279000 1171971474 /nfs/dbraw/zinc/97/14/74/1171971474.db2.gz MOIJCLJWBWLKNQ-SECBINFHSA-N -1 3 317.309 0.880 20 5 DCBDHM O=c1[n-]ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1[N+](=O)[O-] ZINC001652198133 1173765136 /nfs/dbraw/zinc/76/51/36/1173765136.db2.gz RYRNVNKPCULAIC-DTWKUNHWSA-N -1 3 313.335 0.566 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccnc2)nc1 ZINC001663104130 1174264886 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DCBDHM CCOCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110042391 761661026 /nfs/dbraw/zinc/66/10/26/761661026.db2.gz KIOIDWZMXBVVPU-UHFFFAOYSA-N -1 3 310.310 0.793 20 5 DCBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001110061863 761679277 /nfs/dbraw/zinc/67/92/77/761679277.db2.gz QIEPZRRAJYZNJP-UHFFFAOYSA-N -1 3 318.293 0.793 20 5 DCBDHM CN(CCNC(=O)C1=COCCO1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099915426 763121983 /nfs/dbraw/zinc/12/19/83/763121983.db2.gz UXQUGMANHVHEJJ-UHFFFAOYSA-N -1 3 324.293 0.136 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCOCC1 ZINC001093566965 768626173 /nfs/dbraw/zinc/62/61/73/768626173.db2.gz NEQPALQMARUXDS-UHFFFAOYSA-N -1 3 308.294 0.570 20 5 DCBDHM COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CO[N-]C2=O)c1F ZINC001173176280 769555619 /nfs/dbraw/zinc/55/56/19/769555619.db2.gz FRSMESFHGFGVHY-VXNVDRBHSA-N -1 3 313.285 0.693 20 5 DCBDHM CSC[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591696220 1167355320 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COc1ccc([N+](=O)[O-])c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001454188631 1008988508 /nfs/dbraw/zinc/98/85/08/1008988508.db2.gz XJMDWBSZBAWGHR-VIFPVBQESA-N -1 3 320.305 0.845 20 5 DCBDHM Cc1nc2c(c(=O)[n-]1)CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001460560755 1012939318 /nfs/dbraw/zinc/93/93/18/1012939318.db2.gz NUFQAMGGWFZTSN-UHFFFAOYSA-N -1 3 317.305 0.576 20 5 DCBDHM O=C([N-]OCCO)c1cc([N+](=O)[O-])ncc1Br ZINC001641748390 1171928157 /nfs/dbraw/zinc/92/81/57/1171928157.db2.gz CFVQUQSIPXRQFP-UHFFFAOYSA-N -1 3 306.072 0.406 20 5 DCBDHM CCn1cnnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000056066609 184003989 /nfs/dbraw/zinc/00/39/89/184003989.db2.gz UCYNUBNDIANYDQ-UHFFFAOYSA-N -1 3 311.323 0.685 20 5 DCBDHM C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000032658908 395712448 /nfs/dbraw/zinc/71/24/48/395712448.db2.gz BNFUSDANZSRYNQ-JTQLQIEISA-N -1 3 308.338 0.887 20 5 DCBDHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048430429 395815249 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324.381 0.866 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000343361338 303020352 /nfs/dbraw/zinc/02/03/52/303020352.db2.gz OKMSGLDGRVFHEF-AMIZOPFISA-N -1 3 322.325 0.285 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCO)c(C(F)(F)F)c1 ZINC000157894424 527376053 /nfs/dbraw/zinc/37/60/53/527376053.db2.gz ZFEZCVUKWIMHOM-UHFFFAOYSA-N -1 3 314.241 0.884 20 5 DCBDHM Cn1cnnc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC001666614708 1174614877 /nfs/dbraw/zinc/61/48/77/1174614877.db2.gz VXRDCTCAFQPZNF-UHFFFAOYSA-N -1 3 311.323 0.244 20 5 DCBDHM CCCCN(CC(N)=O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821060380 607344573 /nfs/dbraw/zinc/34/45/73/607344573.db2.gz CPWIKBAWXNQYOF-UHFFFAOYSA-N -1 3 319.325 0.867 20 5 DCBDHM CCCCN(CC(N)=O)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821060380 607344575 /nfs/dbraw/zinc/34/45/75/607344575.db2.gz CPWIKBAWXNQYOF-UHFFFAOYSA-N -1 3 319.325 0.867 20 5 DCBDHM CCOC(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736595191 598500536 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C[S@](=O)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737174663 598628302 /nfs/dbraw/zinc/62/83/02/598628302.db2.gz XJRRXJRHUCXUOU-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM O=C([O-])CN(CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000739790626 600146179 /nfs/dbraw/zinc/14/61/79/600146179.db2.gz KIDPYSQNPNQPDJ-UHFFFAOYSA-N -1 3 323.349 0.814 20 5 DCBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000821994720 606428301 /nfs/dbraw/zinc/42/83/01/606428301.db2.gz GSLKIUKYXNAQSS-SSDOTTSWSA-N -1 3 305.298 0.664 20 5 DCBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000821994720 606428303 /nfs/dbraw/zinc/42/83/03/606428303.db2.gz GSLKIUKYXNAQSS-SSDOTTSWSA-N -1 3 305.298 0.664 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@H]2CC[S@](=O)C2)c(-c2nnn[n-]2)c1 ZINC000823650802 606788944 /nfs/dbraw/zinc/78/89/44/606788944.db2.gz AWKXQEBRSXBFRC-WERWIIQRSA-N -1 3 309.311 0.103 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@H]2CC[S@](=O)C2)c(-c2nn[n-]n2)c1 ZINC000823650802 606788945 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/nfs/dbraw/zinc/48/64/53/671486453.db2.gz QZOISQDEHHBTDR-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nn1 ZINC000826361828 671486454 /nfs/dbraw/zinc/48/64/54/671486454.db2.gz QZOISQDEHHBTDR-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cc1ccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cc1[N+](=O)[O-] ZINC001585138032 1166403843 /nfs/dbraw/zinc/40/38/43/1166403843.db2.gz OCIZHTLNERSOKR-MRVPVSSYSA-N -1 3 306.278 0.831 20 5 DCBDHM C[C@H]1C(=O)N([N-]C(=O)c2cccc([N+](=O)[O-])c2N)C(=O)N1C ZINC001585138829 1166404958 /nfs/dbraw/zinc/40/49/58/1166404958.db2.gz VALUHYHLMDVOFK-LURJTMIESA-N -1 3 307.266 0.104 20 5 DCBDHM CC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001588824525 1166601565 /nfs/dbraw/zinc/60/15/65/1166601565.db2.gz PSOSFWROZLWKFU-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001588824525 1166601569 /nfs/dbraw/zinc/60/15/69/1166601569.db2.gz PSOSFWROZLWKFU-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588864278 1166611594 /nfs/dbraw/zinc/61/15/94/1166611594.db2.gz BTKFJGREBLIKGZ-UHFFFAOYSA-N -1 3 319.325 0.656 20 5 DCBDHM CC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588864278 1166611604 /nfs/dbraw/zinc/61/16/04/1166611604.db2.gz BTKFJGREBLIKGZ-UHFFFAOYSA-N -1 3 319.325 0.656 20 5 DCBDHM C[C@H](CC(=O)[O-])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589008050 1166626031 /nfs/dbraw/zinc/62/60/31/1166626031.db2.gz BMFDLLQXNXSMEH-SECBINFHSA-N -1 3 316.335 0.821 20 5 DCBDHM CC1(C(N)=O)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590072228 1166765188 /nfs/dbraw/zinc/76/51/88/1166765188.db2.gz GBIZEBVOACPXJR-UHFFFAOYSA-N -1 3 321.272 0.226 20 5 DCBDHM CC1(C(N)=O)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590072228 1166765193 /nfs/dbraw/zinc/76/51/93/1166765193.db2.gz GBIZEBVOACPXJR-UHFFFAOYSA-N -1 3 321.272 0.226 20 5 DCBDHM CCNC(=O)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590740188 1166997999 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1167635718 /nfs/dbraw/zinc/63/57/18/1167635718.db2.gz XFIPJLKFKIONTR-JTQLQIEISA-N -1 3 319.325 0.930 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001592941878 1167670126 /nfs/dbraw/zinc/67/01/26/1167670126.db2.gz XPIBJFDKQFSFFY-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592941878 1167670128 /nfs/dbraw/zinc/67/01/28/1167670128.db2.gz XPIBJFDKQFSFFY-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@H]2COCCO2)c(-c2nnn[n-]2)c1 ZINC001593478078 1167863018 /nfs/dbraw/zinc/86/30/18/1167863018.db2.gz QFIDCTNFMOTBHH-VIFPVBQESA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@H]2COCCO2)c(-c2nn[n-]n2)c1 ZINC001593478078 1167863028 /nfs/dbraw/zinc/86/30/28/1167863028.db2.gz QFIDCTNFMOTBHH-VIFPVBQESA-N -1 3 306.282 0.602 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1CCn1cc([N+](=O)[O-])cn1 ZINC001594341544 1167965816 /nfs/dbraw/zinc/96/58/16/1167965816.db2.gz VAUDJZXKSXOWRP-IXOXFDKPSA-N 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CC[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111850 1169495476 /nfs/dbraw/zinc/49/54/76/1169495476.db2.gz LHQBAVGUNLHGMI-KWQFWETISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111850 1169495480 /nfs/dbraw/zinc/49/54/80/1169495480.db2.gz LHQBAVGUNLHGMI-KWQFWETISA-N -1 3 304.310 0.982 20 5 DCBDHM CCN(C)C(=O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604268221 1169539448 /nfs/dbraw/zinc/53/94/48/1169539448.db2.gz LTFYRRXQGGSSTN-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM CCN(C)C(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604268221 1169539451 /nfs/dbraw/zinc/53/94/51/1169539451.db2.gz LTFYRRXQGGSSTN-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM CO[C@@H]1COC[C@@H]1NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605151075 1169848022 /nfs/dbraw/zinc/84/80/22/1169848022.db2.gz IXSDETQXDOGCAO-CMPLNLGQSA-N -1 3 320.309 0.278 20 5 DCBDHM CO[C@@H]1COC[C@@H]1NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605151075 1169848033 /nfs/dbraw/zinc/84/80/33/1169848033.db2.gz IXSDETQXDOGCAO-CMPLNLGQSA-N -1 3 320.309 0.278 20 5 DCBDHM Cn1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])nn1 ZINC001606238771 1170132544 /nfs/dbraw/zinc/13/25/44/1170132544.db2.gz XKEIMXRGEIINHQ-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])nn1 ZINC001606238771 1170132547 /nfs/dbraw/zinc/13/25/47/1170132547.db2.gz XKEIMXRGEIINHQ-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM NC(=O)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606410691 1170190079 /nfs/dbraw/zinc/19/00/79/1170190079.db2.gz KUQWMBXHEYEPOZ-QMMMGPOBSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606410691 1170190084 /nfs/dbraw/zinc/19/00/84/1170190084.db2.gz KUQWMBXHEYEPOZ-QMMMGPOBSA-N -1 3 317.309 0.477 20 5 DCBDHM O=C(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])NC1CC1 ZINC001606555741 1170233142 /nfs/dbraw/zinc/23/31/42/1170233142.db2.gz JJSSKKWKZIBHDN-UHFFFAOYSA-N -1 3 303.282 0.465 20 5 DCBDHM O=C(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])NC1CC1 ZINC001606555741 1170233149 /nfs/dbraw/zinc/23/31/49/1170233149.db2.gz JJSSKKWKZIBHDN-UHFFFAOYSA-N -1 3 303.282 0.465 20 5 DCBDHM O=C(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])N1CCCC1 ZINC001606555762 1170234208 /nfs/dbraw/zinc/23/42/08/1170234208.db2.gz KEAYIHOUZNYNHT-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=C(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])N1CCCC1 ZINC001606555762 1170234213 /nfs/dbraw/zinc/23/42/13/1170234213.db2.gz KEAYIHOUZNYNHT-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=C1OC[C@H]2CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@@H]12 ZINC001607054630 1170372771 /nfs/dbraw/zinc/37/27/71/1170372771.db2.gz JBBAFVPPOPTINR-VXNVDRBHSA-N -1 3 316.277 0.384 20 5 DCBDHM O=C1OC[C@H]2CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@@H]12 ZINC001607054630 1170372778 /nfs/dbraw/zinc/37/27/78/1170372778.db2.gz JBBAFVPPOPTINR-VXNVDRBHSA-N -1 3 316.277 0.384 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H]2COC[C@H]2C1 ZINC001607080940 1170384960 /nfs/dbraw/zinc/38/49/60/1170384960.db2.gz VFSREFCAGPANDT-PSASIEDQSA-N -1 3 317.309 0.643 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H]2COC[C@H]2C1 ZINC001607080940 1170384965 /nfs/dbraw/zinc/38/49/65/1170384965.db2.gz VFSREFCAGPANDT-PSASIEDQSA-N -1 3 317.309 0.643 20 5 DCBDHM C[C@]1(C(N)=O)CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609143674 1170824625 /nfs/dbraw/zinc/82/46/25/1170824625.db2.gz SDMDWPXDWVSUAP-ZDUSSCGKSA-N -1 3 317.309 0.477 20 5 DCBDHM C[C@]1(C(N)=O)CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609143674 1170824632 /nfs/dbraw/zinc/82/46/32/1170824632.db2.gz SDMDWPXDWVSUAP-ZDUSSCGKSA-N -1 3 317.309 0.477 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001609175517 1170846623 /nfs/dbraw/zinc/84/66/23/1170846623.db2.gz SNLNDXPYARYVOY-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001609175517 1170846636 /nfs/dbraw/zinc/84/66/36/1170846636.db2.gz SNLNDXPYARYVOY-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM COC(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609296360 1170918990 /nfs/dbraw/zinc/91/89/90/1170918990.db2.gz HDNKNVMVHSSPLC-QMMMGPOBSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)N1CC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609300374 1170920994 /nfs/dbraw/zinc/92/09/94/1170920994.db2.gz OHVRFJKJFCUQMN-UHFFFAOYSA-N -1 3 320.269 0.032 20 5 DCBDHM COC(=O)N1CC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609300374 1170921003 /nfs/dbraw/zinc/92/10/03/1170921003.db2.gz OHVRFJKJFCUQMN-UHFFFAOYSA-N -1 3 320.269 0.032 20 5 DCBDHM O=c1cc(N2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)nc[n-]1 ZINC001613029794 1171366181 /nfs/dbraw/zinc/36/61/81/1171366181.db2.gz FCHMUMAZEDWXAX-QMMMGPOBSA-N -1 3 318.293 0.882 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nn(C)cc3[N+](=O)[O-])C2)n1 ZINC001651413608 1173748015 /nfs/dbraw/zinc/74/80/15/1173748015.db2.gz JFQBQKFMMGFSKZ-VIFPVBQESA-N -1 3 319.325 0.823 20 5 DCBDHM O=c1cc(N2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)nc[n-]1 ZINC001652303409 1173767225 /nfs/dbraw/zinc/76/72/25/1173767225.db2.gz VUWTVGGNMAERAO-QMMMGPOBSA-N -1 3 303.282 0.571 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]Cc2cnn(C)n2)c([N+](=O)[O-])s1 ZINC001664043087 1174387961 /nfs/dbraw/zinc/38/79/61/1174387961.db2.gz VUOMVROHPPPIBK-UHFFFAOYSA-N -1 3 317.352 0.572 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC001671938953 1175046874 /nfs/dbraw/zinc/04/68/74/1175046874.db2.gz GOJKBSHMCJFIBB-PSASIEDQSA-N -1 3 304.299 0.844 20 5 DCBDHM COCCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105311910 748121331 /nfs/dbraw/zinc/12/13/31/748121331.db2.gz NPHZSECORLYGBF-UHFFFAOYSA-N -1 3 312.326 0.627 20 5 DCBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001059561815 749327510 /nfs/dbraw/zinc/32/75/10/749327510.db2.gz CHCZLISLUKBPTM-OCAPTIKFSA-N -1 3 318.293 0.791 20 5 DCBDHM CCOCCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101517894 749543292 /nfs/dbraw/zinc/54/32/92/749543292.db2.gz SYXNWXFGLYJXDQ-UHFFFAOYSA-N -1 3 312.326 0.992 20 5 DCBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnco1 ZINC001105514650 749855809 /nfs/dbraw/zinc/85/58/09/749855809.db2.gz ZMEDYERVOOANFT-UHFFFAOYSA-N -1 3 321.293 0.892 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1coc2c1C(=O)NCCC2 ZINC001128985298 754428577 /nfs/dbraw/zinc/42/85/77/754428577.db2.gz OAQRXXSTJNHCOD-UHFFFAOYSA-N -1 3 319.277 0.850 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1ccccc1[O-] ZINC001123758297 768053148 /nfs/dbraw/zinc/05/31/48/768053148.db2.gz JBZBHINXURHZHD-UHFFFAOYSA-N -1 3 319.321 0.554 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cccnn1 ZINC001101733922 764286830 /nfs/dbraw/zinc/28/68/30/764286830.db2.gz GCBGKSPCEXDURK-UHFFFAOYSA-N -1 3 318.293 0.670 20 5 DCBDHM COCCCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093138922 768460429 /nfs/dbraw/zinc/46/04/29/768460429.db2.gz DAPXQHAEPXFMTH-UHFFFAOYSA-N -1 3 324.337 0.771 20 5 DCBDHM O=C(CCn1cccn1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093478453 768580126 /nfs/dbraw/zinc/58/01/26/768580126.db2.gz ADSJOYLRKFHCKK-UHFFFAOYSA-N -1 3 320.309 0.510 20 5 DCBDHM COC(=O)c1ccnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001156278370 770770373 /nfs/dbraw/zinc/77/03/73/770770373.db2.gz IGQCYKWLTAAVDD-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM CCC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(N)=O ZINC001190099957 772582762 /nfs/dbraw/zinc/58/27/62/772582762.db2.gz UMELXMNPFCDTCQ-ZETCQYMHSA-N -1 3 321.380 0.897 20 5 DCBDHM COC(=O)c1ncc([N+](=O)[O-])cc1NCCCc1c[n-][nH]c1=O ZINC001164395082 772654153 /nfs/dbraw/zinc/65/41/53/772654153.db2.gz KHBWBTGBHREVPH-QMMMGPOBSA-N -1 3 321.293 0.700 20 5 DCBDHM COCC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110572229 774570270 /nfs/dbraw/zinc/57/02/70/774570270.db2.gz QDYIRKYLHNNZRD-UHFFFAOYSA-N -1 3 324.337 0.817 20 5 DCBDHM C[C@@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001575866537 949416547 /nfs/dbraw/zinc/41/65/47/949416547.db2.gz GOOFXWRTPXGALA-RKDXNWHRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001575866537 949416558 /nfs/dbraw/zinc/41/65/58/949416558.db2.gz GOOFXWRTPXGALA-RKDXNWHRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](C[S@@](C)=O)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575184799 952424026 /nfs/dbraw/zinc/42/40/26/952424026.db2.gz CRSDICVNYZYVMI-CVQPTBQBSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@@H](C[S@@](C)=O)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575184799 952424030 /nfs/dbraw/zinc/42/40/30/952424030.db2.gz CRSDICVNYZYVMI-CVQPTBQBSA-N -1 3 311.327 0.349 20 5 DCBDHM COCCN(CCC(=O)[O-])CCn1cc([N+](=O)[O-])ccc1=O ZINC001594011154 956994381 /nfs/dbraw/zinc/99/43/81/956994381.db2.gz NFGIDYZIXWZGBZ-UHFFFAOYSA-N -1 3 313.310 0.180 20 5 DCBDHM COC(=O)/C=C\[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001475796161 1017157182 /nfs/dbraw/zinc/15/71/82/1017157182.db2.gz LISPUBDYJZHMAX-LBLVLHIFSA-N -1 3 315.307 0.386 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001464881466 1015964079 /nfs/dbraw/zinc/96/40/79/1015964079.db2.gz DQWNXGGWYZWQET-VIFPVBQESA-N -1 3 319.321 0.727 20 5 DCBDHM CC(C)(CCC(=O)N1CCC(Cc2nnn[n-]2)CC1)[N+](=O)[O-] ZINC001471665071 1016629556 /nfs/dbraw/zinc/62/95/56/1016629556.db2.gz LMNMDTADHDHSFV-UHFFFAOYSA-N -1 3 310.358 0.816 20 5 DCBDHM CC(C)(CCC(=O)N1CCC(Cc2nn[n-]n2)CC1)[N+](=O)[O-] ZINC001471665071 1016629563 /nfs/dbraw/zinc/62/95/63/1016629563.db2.gz LMNMDTADHDHSFV-UHFFFAOYSA-N -1 3 310.358 0.816 20 5 DCBDHM COC1(c2ccnn2C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001472862391 1016863911 /nfs/dbraw/zinc/86/39/11/1016863911.db2.gz BRPZLEDPTPJLBR-UHFFFAOYSA-N -1 3 305.294 0.791 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCc2c(=O)[n-]cnc21 ZINC001438691520 1006034035 /nfs/dbraw/zinc/03/40/35/1006034035.db2.gz YBMUJDFWGDFKSI-UHFFFAOYSA-N -1 3 304.266 0.266 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000351883778 296357447 /nfs/dbraw/zinc/35/74/47/296357447.db2.gz ZUZTTZVFZOMEBS-MRVPVSSYSA-N -1 3 311.685 0.384 20 5 DCBDHM COC(=O)c1cc(C(=O)[N-]c2ncn(C)n2)cc([N+](=O)[O-])c1 ZINC000349409840 254282388 /nfs/dbraw/zinc/28/23/88/254282388.db2.gz IIUFCDQIEGBUNQ-UHFFFAOYSA-N -1 3 305.250 0.762 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)CO ZINC000086630003 395705206 /nfs/dbraw/zinc/70/52/06/395705206.db2.gz CDTHTLMTFDPCOH-QMMMGPOBSA-N -1 3 304.324 0.510 20 5 DCBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)OCCO1 ZINC000271068210 395834685 /nfs/dbraw/zinc/83/46/85/395834685.db2.gz KUYFFEBVJCDRND-UHFFFAOYSA-N -1 3 320.298 0.775 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C/C=C/CO ZINC000594819622 396521879 /nfs/dbraw/zinc/52/18/79/396521879.db2.gz MAVORXIYBKVYJB-NSCUHMNNSA-N -1 3 302.308 0.430 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(N)=O ZINC000292255451 396540370 /nfs/dbraw/zinc/54/03/70/396540370.db2.gz VVRYXINAJDMCRP-SECBINFHSA-N -1 3 315.351 0.754 20 5 DCBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584748956 396620167 /nfs/dbraw/zinc/62/01/67/396620167.db2.gz KKHHYBTZFOVITF-SNVBAGLBSA-N -1 3 316.383 0.997 20 5 DCBDHM CN(C)CCN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000294233745 396662079 /nfs/dbraw/zinc/66/20/79/396662079.db2.gz BWFVYUNLDPMEJR-UHFFFAOYSA-N -1 3 323.353 0.015 20 5 DCBDHM O=C(COc1ccc([N+](=O)[O-])cc1)[N-]c1nnc2[nH]cnn12 ZINC000590378980 396763266 /nfs/dbraw/zinc/76/32/66/396763266.db2.gz HSZZZRPVKOTQFY-UHFFFAOYSA-N -1 3 303.238 0.378 20 5 DCBDHM COc1cc(CNC[C@@H]2CCCNC2=O)c([N+](=O)[O-])cc1[O-] ZINC000590971851 396862187 /nfs/dbraw/zinc/86/21/87/396862187.db2.gz QJRUROWEGPUZEE-VIFPVBQESA-N -1 3 309.322 0.925 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590590386 396804963 /nfs/dbraw/zinc/80/49/63/396804963.db2.gz WYBVDICQNSMIIS-UHFFFAOYSA-N -1 3 319.314 0.457 20 5 DCBDHM CCc1nn(C)c(N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC000572827828 397099462 /nfs/dbraw/zinc/09/94/62/397099462.db2.gz KHZNWMLHZKICDR-UHFFFAOYSA-N -1 3 304.310 0.949 20 5 DCBDHM CCOC(=O)c1ncc(NC(=O)Cn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000619448051 397131433 /nfs/dbraw/zinc/13/14/33/397131433.db2.gz AFPPAIRYNWACJA-UHFFFAOYSA-N -1 3 308.254 0.330 20 5 DCBDHM CCOC(=O)c1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c[n-]1 ZINC000619448051 397131438 /nfs/dbraw/zinc/13/14/38/397131438.db2.gz AFPPAIRYNWACJA-UHFFFAOYSA-N -1 3 308.254 0.330 20 5 DCBDHM COC[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619473039 397135475 /nfs/dbraw/zinc/13/54/75/397135475.db2.gz YBYSAPAUDKDYRV-MRVPVSSYSA-N -1 3 304.324 0.917 20 5 DCBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599937654 397545909 /nfs/dbraw/zinc/54/59/09/397545909.db2.gz HUKAUPDYFIYOPC-AAEUAGOBSA-N -1 3 321.333 0.582 20 5 DCBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000359982054 287216238 /nfs/dbraw/zinc/21/62/38/287216238.db2.gz UFJMHEQTHBCQAS-JTQLQIEISA-N -1 3 318.351 0.579 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000342501468 415195463 /nfs/dbraw/zinc/19/54/63/415195463.db2.gz CLTNCOXYLFIDTG-SNVBAGLBSA-N -1 3 322.364 0.394 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)C1CC1 ZINC000352548577 415221631 /nfs/dbraw/zinc/22/16/31/415221631.db2.gz GECTUIAYHSSNLA-JTQLQIEISA-N -1 3 300.336 0.892 20 5 DCBDHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352995893 415393862 /nfs/dbraw/zinc/39/38/62/415393862.db2.gz XFOZBJGGTZVUBG-JTQLQIEISA-N -1 3 319.277 1.522 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000158618052 416001870 /nfs/dbraw/zinc/00/18/70/416001870.db2.gz VKWMNVIBMUMYHP-UHFFFAOYSA-N -1 3 316.335 0.797 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])[n-]1 ZINC000345529998 416110449 /nfs/dbraw/zinc/11/04/49/416110449.db2.gz BWYMWGBVPXNDSZ-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000345529998 416110452 /nfs/dbraw/zinc/11/04/52/416110452.db2.gz BWYMWGBVPXNDSZ-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n[n-]1 ZINC000345529998 416110457 /nfs/dbraw/zinc/11/04/57/416110457.db2.gz BWYMWGBVPXNDSZ-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000345539606 416112660 /nfs/dbraw/zinc/11/26/60/416112660.db2.gz KBOCTBNVXVODOH-UHFFFAOYSA-N -1 3 305.250 0.681 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000345539606 416112665 /nfs/dbraw/zinc/11/26/65/416112665.db2.gz KBOCTBNVXVODOH-UHFFFAOYSA-N -1 3 305.250 0.681 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000345539606 416112668 /nfs/dbraw/zinc/11/26/68/416112668.db2.gz KBOCTBNVXVODOH-UHFFFAOYSA-N -1 3 305.250 0.681 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000324249887 416122383 /nfs/dbraw/zinc/12/23/83/416122383.db2.gz HRRDDZLLICFHOB-QWRGUYRKSA-N -1 3 321.333 0.893 20 5 DCBDHM NC(=O)c1nccnc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000352189540 416301820 /nfs/dbraw/zinc/30/18/20/416301820.db2.gz HJEFAARUIPAPPB-UHFFFAOYSA-N -1 3 305.225 0.875 20 5 DCBDHM CN(C)C(=O)Cn1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596135808 416578481 /nfs/dbraw/zinc/57/84/81/416578481.db2.gz ABLALCSDKBMRFH-UHFFFAOYSA-N -1 3 306.282 0.724 20 5 DCBDHM O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000556850790 416718844 /nfs/dbraw/zinc/71/88/44/416718844.db2.gz ICODVWXOWQUIDR-HNNXBMFYSA-N -1 3 321.333 0.487 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000443775360 416780230 /nfs/dbraw/zinc/78/02/30/416780230.db2.gz LBFIWEYUSTUDGZ-LLVKDONJSA-N -1 3 300.336 0.952 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccnn2)c([N+](=O)[O-])c1 ZINC000443935203 416792525 /nfs/dbraw/zinc/79/25/25/416792525.db2.gz KTPAPNXNCXCQOG-UHFFFAOYSA-N -1 3 324.318 0.872 20 5 DCBDHM CNC(=O)c1ccc(NCCc2c(C)[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC000522250558 417057301 /nfs/dbraw/zinc/05/73/01/417057301.db2.gz YQUWGDQGTLTDAH-JTQLQIEISA-N -1 3 319.321 0.878 20 5 DCBDHM COCCN(C)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000575185584 417520051 /nfs/dbraw/zinc/52/00/51/417520051.db2.gz CYUSTRNYHYXGKZ-UHFFFAOYSA-N -1 3 307.303 0.969 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1 ZINC000299693060 302049913 /nfs/dbraw/zinc/04/99/13/302049913.db2.gz VDSBJXKKRFWFNM-VIFPVBQESA-N -1 3 313.335 0.412 20 5 DCBDHM COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158028599 523224664 /nfs/dbraw/zinc/22/46/64/523224664.db2.gz HQFSUDIDKZIXJU-UHFFFAOYSA-N -1 3 311.338 0.999 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCc2cccc([O-])c21 ZINC000331875886 534758730 /nfs/dbraw/zinc/75/87/30/534758730.db2.gz BMGMEKJHAHGVGC-UHFFFAOYSA-N -1 3 303.278 0.871 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000234881439 545949546 /nfs/dbraw/zinc/94/95/46/545949546.db2.gz XKVJDRZEWWBZCA-SNVBAGLBSA-N -1 3 318.351 0.497 20 5 DCBDHM O=C1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1 ZINC000738306435 598369181 /nfs/dbraw/zinc/36/91/81/598369181.db2.gz HKXONPRFSQMJOK-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1 ZINC000738306435 598369183 /nfs/dbraw/zinc/36/91/83/598369183.db2.gz HKXONPRFSQMJOK-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000738194358 598380829 /nfs/dbraw/zinc/38/08/29/598380829.db2.gz DJBNQTAWCHLWIH-UHFFFAOYSA-N -1 3 311.261 0.844 20 5 DCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000738194358 598380831 /nfs/dbraw/zinc/38/08/31/598380831.db2.gz DJBNQTAWCHLWIH-UHFFFAOYSA-N -1 3 311.261 0.844 20 5 DCBDHM Cc1n[nH]cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737463047 598499625 /nfs/dbraw/zinc/49/96/25/598499625.db2.gz FZZVOTITGZBCBD-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1n[nH]cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737463047 598499626 /nfs/dbraw/zinc/49/96/26/598499626.db2.gz FZZVOTITGZBCBD-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736140848 598756179 /nfs/dbraw/zinc/75/61/79/598756179.db2.gz DMTJXNCCIAGFPU-GFCCVEGCSA-N -1 3 305.298 0.743 20 5 DCBDHM C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736140848 598756181 /nfs/dbraw/zinc/75/61/81/598756181.db2.gz DMTJXNCCIAGFPU-GFCCVEGCSA-N -1 3 305.298 0.743 20 5 DCBDHM CN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1=O ZINC000736844433 599530221 /nfs/dbraw/zinc/53/02/21/599530221.db2.gz AXLKUSJMEDDFHM-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1=O ZINC000736844433 599530223 /nfs/dbraw/zinc/53/02/23/599530223.db2.gz AXLKUSJMEDDFHM-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CNC(=O)[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821630258 606240755 /nfs/dbraw/zinc/24/07/55/606240755.db2.gz RASUKCHNTKMGIC-MRVPVSSYSA-N -1 3 319.325 0.593 20 5 DCBDHM CNC(=O)[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821630258 606240757 /nfs/dbraw/zinc/24/07/57/606240757.db2.gz RASUKCHNTKMGIC-MRVPVSSYSA-N -1 3 319.325 0.593 20 5 DCBDHM COC(=O)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821639313 606804515 /nfs/dbraw/zinc/80/45/15/606804515.db2.gz VGZJBLRIVZEFMT-UHFFFAOYSA-N -1 3 321.297 0.781 20 5 DCBDHM COC(=O)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821639313 606804517 /nfs/dbraw/zinc/80/45/17/606804517.db2.gz VGZJBLRIVZEFMT-UHFFFAOYSA-N -1 3 321.297 0.781 20 5 DCBDHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(N)=O ZINC000820028463 607225446 /nfs/dbraw/zinc/22/54/46/607225446.db2.gz ZRUFPESAYYICDC-JTQLQIEISA-N -1 3 305.298 0.697 20 5 DCBDHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(N)=O ZINC000820028463 607225447 /nfs/dbraw/zinc/22/54/47/607225447.db2.gz ZRUFPESAYYICDC-JTQLQIEISA-N -1 3 305.298 0.697 20 5 DCBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC000825210684 608017884 /nfs/dbraw/zinc/01/78/84/608017884.db2.gz IWMSCEMFOCTSMC-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC000825210684 608017885 /nfs/dbraw/zinc/01/78/85/608017885.db2.gz IWMSCEMFOCTSMC-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2CCO)c(-c2nnn[n-]2)c1 ZINC000826498750 608077550 /nfs/dbraw/zinc/07/75/50/608077550.db2.gz IGMRRWBSRKUXMN-SNVBAGLBSA-N -1 3 320.309 0.363 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2CCO)c(-c2nn[n-]n2)c1 ZINC000826498750 608077551 /nfs/dbraw/zinc/07/75/51/608077551.db2.gz IGMRRWBSRKUXMN-SNVBAGLBSA-N -1 3 320.309 0.363 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824688950 609568556 /nfs/dbraw/zinc/56/85/56/609568556.db2.gz JBBSPVCRUAGWNV-HTQZYQBOSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824688950 609568557 /nfs/dbraw/zinc/56/85/57/609568557.db2.gz JBBSPVCRUAGWNV-HTQZYQBOSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H](C[S@](C)=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824448508 609597730 /nfs/dbraw/zinc/59/77/30/609597730.db2.gz ITAWAAFXJKOPID-QFWYVNQISA-N -1 3 310.339 0.954 20 5 DCBDHM C[C@H](C[S@](C)=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824448508 609597728 /nfs/dbraw/zinc/59/77/28/609597728.db2.gz ITAWAAFXJKOPID-QFWYVNQISA-N -1 3 310.339 0.954 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c(F)c1 ZINC000885496551 667679203 /nfs/dbraw/zinc/67/92/03/667679203.db2.gz VLVNGQNAZHAZON-CPCISQLKSA-N -1 3 302.283 0.801 20 5 DCBDHM C[C@@H]1CCN(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])C1 ZINC000777940736 668892931 /nfs/dbraw/zinc/89/29/31/668892931.db2.gz RPNPDKYBIWBFAP-MRVPVSSYSA-N -1 3 301.328 0.493 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805605205 668897994 /nfs/dbraw/zinc/89/79/94/668897994.db2.gz GOVDQHJHIYRMJP-UHFFFAOYSA-N -1 3 305.250 0.817 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805605205 668897995 /nfs/dbraw/zinc/89/79/95/668897995.db2.gz GOVDQHJHIYRMJP-UHFFFAOYSA-N -1 3 305.250 0.817 20 5 DCBDHM Cn1ccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000779633338 668921854 /nfs/dbraw/zinc/92/18/54/668921854.db2.gz ATLXRRYLXIEWPV-UHFFFAOYSA-N -1 3 302.337 0.868 20 5 DCBDHM COC(=O)c1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c[n-]1 ZINC000815972996 670776588 /nfs/dbraw/zinc/77/65/88/670776588.db2.gz VGLGIMVEUPEERR-UHFFFAOYSA-N -1 3 309.238 0.158 20 5 DCBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)OCC1CC1 ZINC000845847247 672278439 /nfs/dbraw/zinc/27/84/39/672278439.db2.gz OBPIGIPWQSPBCR-UHFFFAOYSA-N -1 3 315.307 0.221 20 5 DCBDHM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845871927 672280105 /nfs/dbraw/zinc/28/01/05/672280105.db2.gz XIRJLFRDDBJTGL-JTQLQIEISA-N -1 3 303.340 0.675 20 5 DCBDHM CC(C)(O)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001573923773 1163587912 /nfs/dbraw/zinc/58/79/12/1163587912.db2.gz ZCAWFLQFKUQTBF-VIFPVBQESA-N -1 3 319.325 0.767 20 5 DCBDHM CC(C)(O)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001573923773 1163587922 /nfs/dbraw/zinc/58/79/22/1163587922.db2.gz ZCAWFLQFKUQTBF-VIFPVBQESA-N -1 3 319.325 0.767 20 5 DCBDHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001583382586 1166247977 /nfs/dbraw/zinc/24/79/77/1166247977.db2.gz FKTBCNLWQDJNSA-ZDUSSCGKSA-N -1 3 318.289 0.749 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589994228 1166740500 /nfs/dbraw/zinc/74/05/00/1166740500.db2.gz FEGLIJPULSPYQA-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589994228 1166740507 /nfs/dbraw/zinc/74/05/07/1166740507.db2.gz FEGLIJPULSPYQA-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC001590134047 1166783949 /nfs/dbraw/zinc/78/39/49/1166783949.db2.gz LVNHQVBXFQHXDH-ZDUSSCGKSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1CO ZINC001590274237 1166834699 /nfs/dbraw/zinc/83/46/99/1166834699.db2.gz HCBCNJMVBSCGJF-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1CO ZINC001590274237 1166834703 /nfs/dbraw/zinc/83/47/03/1166834703.db2.gz HCBCNJMVBSCGJF-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]1(C)CO ZINC001590317481 1166862744 /nfs/dbraw/zinc/86/27/44/1166862744.db2.gz AMPOHDCXQGRBQT-AMIZOPFISA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@]1(C)CO ZINC001590317481 1166862750 /nfs/dbraw/zinc/86/27/50/1166862750.db2.gz AMPOHDCXQGRBQT-AMIZOPFISA-N -1 3 319.325 0.625 20 5 DCBDHM CCC[C@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590559243 1166942695 /nfs/dbraw/zinc/94/26/95/1166942695.db2.gz DPMOQZDTRBPVGJ-NEPJUHHUSA-N -1 3 322.325 0.709 20 5 DCBDHM CCC[C@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590559243 1166942703 /nfs/dbraw/zinc/94/27/03/1166942703.db2.gz DPMOQZDTRBPVGJ-NEPJUHHUSA-N -1 3 322.325 0.709 20 5 DCBDHM CCCNC(=O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590637731 1166958239 /nfs/dbraw/zinc/95/82/39/1166958239.db2.gz CFZDTMFPFNUAAQ-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCCNC(=O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590637731 1166958241 /nfs/dbraw/zinc/95/82/41/1166958241.db2.gz CFZDTMFPFNUAAQ-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCNC(=O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590741957 1167000710 /nfs/dbraw/zinc/00/07/10/1167000710.db2.gz XQLWLMGXDUBMLJ-UHFFFAOYSA-N -1 3 305.298 0.631 20 5 DCBDHM CCNC(=O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590741957 1167000717 /nfs/dbraw/zinc/00/07/17/1167000717.db2.gz XQLWLMGXDUBMLJ-UHFFFAOYSA-N -1 3 305.298 0.631 20 5 DCBDHM CCOC(=O)CSc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590765278 1167013732 /nfs/dbraw/zinc/01/37/32/1167013732.db2.gz FHSVLKHUYIKNPJ-UHFFFAOYSA-N -1 3 310.295 0.825 20 5 DCBDHM CCOC(=O)CSc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590765278 1167013737 /nfs/dbraw/zinc/01/37/37/1167013737.db2.gz FHSVLKHUYIKNPJ-UHFFFAOYSA-N -1 3 310.295 0.825 20 5 DCBDHM CCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590799949 1167024968 /nfs/dbraw/zinc/02/49/68/1167024968.db2.gz VWZOEHQXYLRGFA-UHFFFAOYSA-N -1 3 307.266 0.855 20 5 DCBDHM CCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590799949 1167024971 /nfs/dbraw/zinc/02/49/71/1167024971.db2.gz VWZOEHQXYLRGFA-UHFFFAOYSA-N -1 3 307.266 0.855 20 5 DCBDHM CCn1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)nn1 ZINC001590954024 1167059099 /nfs/dbraw/zinc/05/90/99/1167059099.db2.gz PZCASOGZYFEBCC-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591204245 1167152364 /nfs/dbraw/zinc/15/23/64/1167152364.db2.gz MJBSMFCAFUPMKB-SSDOTTSWSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591204245 1167152369 /nfs/dbraw/zinc/15/23/69/1167152369.db2.gz MJBSMFCAFUPMKB-SSDOTTSWSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591203742 1167153383 /nfs/dbraw/zinc/15/33/83/1167153383.db2.gz GCVBTQYYEBMQRK-SSDOTTSWSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591203742 1167153386 /nfs/dbraw/zinc/15/33/86/1167153386.db2.gz GCVBTQYYEBMQRK-SSDOTTSWSA-N -1 3 305.298 0.711 20 5 DCBDHM COC(=O)[C@H](C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591228964 1167168974 /nfs/dbraw/zinc/16/89/74/1167168974.db2.gz LJGPHCJWTMVVRS-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@H](C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591228964 1167168983 /nfs/dbraw/zinc/16/89/83/1167168983.db2.gz LJGPHCJWTMVVRS-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001591362418 1167235912 /nfs/dbraw/zinc/23/59/12/1167235912.db2.gz PRENXMOZEBAIRG-NSHDSACASA-N -1 3 306.282 0.584 20 5 DCBDHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591362418 1167235914 /nfs/dbraw/zinc/23/59/14/1167235914.db2.gz PRENXMOZEBAIRG-NSHDSACASA-N -1 3 306.282 0.584 20 5 DCBDHM Cc1nccn1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592419408 1167518567 /nfs/dbraw/zinc/51/85/67/1167518567.db2.gz FKLQSWSFKUDXKE-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1nnc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[nH]1 ZINC001592440563 1167523687 /nfs/dbraw/zinc/52/36/87/1167523687.db2.gz HDHMBTMOIZSKEH-YFKPBYRVSA-N -1 3 316.285 0.770 20 5 DCBDHM NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001592720382 1167612238 /nfs/dbraw/zinc/61/22/38/1167612238.db2.gz LOBXVORSCZYHTO-UHFFFAOYSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001592720382 1167612240 /nfs/dbraw/zinc/61/22/40/1167612240.db2.gz LOBXVORSCZYHTO-UHFFFAOYSA-N -1 3 317.309 0.477 20 5 DCBDHM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(F)ccc1[N+](=O)[O-] ZINC001593196975 1167735006 /nfs/dbraw/zinc/73/50/06/1167735006.db2.gz BYEGSQRSTHTWGG-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001593209664 1167738963 /nfs/dbraw/zinc/73/89/63/1167738963.db2.gz JGZKOZTVOZUSQF-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001593209664 1167738973 /nfs/dbraw/zinc/73/89/73/1167738973.db2.gz JGZKOZTVOZUSQF-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1 ZINC001593389278 1167803135 /nfs/dbraw/zinc/80/31/35/1167803135.db2.gz CHPDXQDRTRBDJI-VIFPVBQESA-N -1 3 317.309 0.856 20 5 DCBDHM O=C1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1 ZINC001593389278 1167803147 /nfs/dbraw/zinc/80/31/47/1167803147.db2.gz CHPDXQDRTRBDJI-VIFPVBQESA-N -1 3 317.309 0.856 20 5 DCBDHM O=[N+]([O-])CCN1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001593467096 1167857532 /nfs/dbraw/zinc/85/75/32/1167857532.db2.gz SEXIDUINGKWUBA-UHFFFAOYSA-N -1 3 309.355 0.327 20 5 DCBDHM O=[N+]([O-])CCN1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001593467096 1167857539 /nfs/dbraw/zinc/85/75/39/1167857539.db2.gz SEXIDUINGKWUBA-UHFFFAOYSA-N -1 3 309.355 0.327 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H](O)C(F)(F)F ZINC001593471953 1167861170 /nfs/dbraw/zinc/86/11/70/1167861170.db2.gz WRQGSUMKNTVGGQ-LURJTMIESA-N -1 3 319.203 0.505 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H](O)C(F)(F)F ZINC001593471953 1167861188 /nfs/dbraw/zinc/86/11/88/1167861188.db2.gz WRQGSUMKNTVGGQ-LURJTMIESA-N -1 3 319.203 0.505 20 5 DCBDHM O=[N+]([O-])c1cc(NCCn2ccnn2)ccc1-c1nnn[n-]1 ZINC001593475271 1167861233 /nfs/dbraw/zinc/86/12/33/1167861233.db2.gz ZWCRAJDDWPAOCQ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCS(=O)(=O)C1 ZINC001593476589 1167862541 /nfs/dbraw/zinc/86/25/41/1167862541.db2.gz YSQUBOHAYDWHDL-QMMMGPOBSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCS(=O)(=O)C1 ZINC001593476589 1167862552 /nfs/dbraw/zinc/86/25/52/1167862552.db2.gz YSQUBOHAYDWHDL-QMMMGPOBSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1cc(-n2cnc(CCCO)c2)ccc1-c1nnn[n-]1 ZINC001593473032 1167862879 /nfs/dbraw/zinc/86/28/79/1167862879.db2.gz GKEBLAGEJRLDCT-UHFFFAOYSA-N -1 3 315.293 0.886 20 5 DCBDHM O=[N+]([O-])c1cc(-n2cnc(CCCO)c2)ccc1-c1nn[n-]n1 ZINC001593473032 1167862890 /nfs/dbraw/zinc/86/28/90/1167862890.db2.gz GKEBLAGEJRLDCT-UHFFFAOYSA-N -1 3 315.293 0.886 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@@H](O)C12CCC2 ZINC001593471788 1167864703 /nfs/dbraw/zinc/86/47/03/1167864703.db2.gz UOBASHMCDUFAHM-VHSXEESVSA-N -1 3 317.309 0.885 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@@H](O)C12CCC2 ZINC001593471788 1167864711 /nfs/dbraw/zinc/86/47/11/1167864711.db2.gz UOBASHMCDUFAHM-VHSXEESVSA-N -1 3 317.309 0.885 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@H](O)C2(CC2)C1 ZINC001593470945 1167864913 /nfs/dbraw/zinc/86/49/13/1167864913.db2.gz RKNCWXCZAZOPGP-VIFPVBQESA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@H](O)C2(CC2)C1 ZINC001593470945 1167864928 /nfs/dbraw/zinc/86/49/28/1167864928.db2.gz RKNCWXCZAZOPGP-VIFPVBQESA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](CCCO)C2)c(-c2nnn[n-]2)c1 ZINC001593486451 1167872873 /nfs/dbraw/zinc/87/28/73/1167872873.db2.gz TXYNYEIELOKJSO-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](CCCO)C2)c(-c2nn[n-]n2)c1 ZINC001593486451 1167872881 /nfs/dbraw/zinc/87/28/81/1167872881.db2.gz TXYNYEIELOKJSO-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM CCOCCOCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604434841 1169592237 /nfs/dbraw/zinc/59/22/37/1169592237.db2.gz QVLMHHRFGHFEAL-UHFFFAOYSA-N -1 3 323.313 0.635 20 5 DCBDHM CCOCCOCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604434841 1169592240 /nfs/dbraw/zinc/59/22/40/1169592240.db2.gz QVLMHHRFGHFEAL-UHFFFAOYSA-N -1 3 323.313 0.635 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604717147 1169663253 /nfs/dbraw/zinc/66/32/53/1169663253.db2.gz GPYFNZRMFNILCY-GFCCVEGCSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604717147 1169663256 /nfs/dbraw/zinc/66/32/56/1169663256.db2.gz GPYFNZRMFNILCY-GFCCVEGCSA-N -1 3 304.310 0.982 20 5 DCBDHM CN1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1=O ZINC001604847094 1169707382 /nfs/dbraw/zinc/70/73/82/1169707382.db2.gz SKDYFNLNXQJFPR-MRVPVSSYSA-N -1 3 303.282 0.418 20 5 DCBDHM CNC(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604875916 1169724399 /nfs/dbraw/zinc/72/43/99/1169724399.db2.gz IZLCDUKNCPHCGC-VIFPVBQESA-N -1 3 317.309 0.347 20 5 DCBDHM CNC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604875916 1169724406 /nfs/dbraw/zinc/72/44/06/1169724406.db2.gz IZLCDUKNCPHCGC-VIFPVBQESA-N -1 3 317.309 0.347 20 5 DCBDHM Nc1cccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001606452225 1170208863 /nfs/dbraw/zinc/20/88/63/1170208863.db2.gz IONVQIQVMUZPFK-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1cccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001606452225 1170208867 /nfs/dbraw/zinc/20/88/67/1170208867.db2.gz IONVQIQVMUZPFK-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM O=C(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])NC1CC1 ZINC001606557710 1170233176 /nfs/dbraw/zinc/23/31/76/1170233176.db2.gz SLUQEMXWVQDUGE-UHFFFAOYSA-N -1 3 303.282 0.465 20 5 DCBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])NC1CC1 ZINC001606557710 1170233181 /nfs/dbraw/zinc/23/31/81/1170233181.db2.gz SLUQEMXWVQDUGE-UHFFFAOYSA-N -1 3 303.282 0.465 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3COC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607081786 1170384352 /nfs/dbraw/zinc/38/43/52/1170384352.db2.gz HBPWZELQBDSXKW-DTORHVGOSA-N -1 3 302.294 0.858 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3COC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607081786 1170384353 /nfs/dbraw/zinc/38/43/53/1170384353.db2.gz HBPWZELQBDSXKW-DTORHVGOSA-N -1 3 302.294 0.858 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@](F)(CO)C1 ZINC001607084292 1170385292 /nfs/dbraw/zinc/38/52/92/1170385292.db2.gz YGNNYZHAPVMMNO-LBPRGKRZSA-N -1 3 308.273 0.686 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@](F)(CO)C1 ZINC001607084292 1170385300 /nfs/dbraw/zinc/38/53/00/1170385300.db2.gz YGNNYZHAPVMMNO-LBPRGKRZSA-N -1 3 308.273 0.686 20 5 DCBDHM CC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609063269 1170795343 /nfs/dbraw/zinc/79/53/43/1170795343.db2.gz CNSKBHLTSOWLTK-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609063269 1170795345 /nfs/dbraw/zinc/79/53/45/1170795345.db2.gz CNSKBHLTSOWLTK-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM COC(=O)C(C)(C)NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609292835 1170917014 /nfs/dbraw/zinc/91/70/14/1170917014.db2.gz ZXLXIRQVGQWDQZ-UHFFFAOYSA-N -1 3 320.309 0.816 20 5 DCBDHM COC(=O)C(C)(C)NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609292835 1170917018 /nfs/dbraw/zinc/91/70/18/1170917018.db2.gz ZXLXIRQVGQWDQZ-UHFFFAOYSA-N -1 3 320.309 0.816 20 5 DCBDHM O=C1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001609589126 1171031081 /nfs/dbraw/zinc/03/10/81/1171031081.db2.gz IOBZVDDZDZJZIA-UHFFFAOYSA-N -1 3 315.293 0.543 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCOCCCO)c(-c2nnn[n-]2)c1 ZINC001609602026 1171038558 /nfs/dbraw/zinc/03/85/58/1171038558.db2.gz LSHPMUYFPWABRP-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCOCCCO)c(-c2nn[n-]n2)c1 ZINC001609602026 1171038564 /nfs/dbraw/zinc/03/85/64/1171038564.db2.gz LSHPMUYFPWABRP-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1cc(CNCCn2cnc(-c3nnn[n-]3)n2)cs1 ZINC001609600526 1171041102 /nfs/dbraw/zinc/04/11/02/1171041102.db2.gz OVIJTZADPUGONE-UHFFFAOYSA-N -1 3 321.326 0.218 20 5 DCBDHM O=[N+]([O-])c1cc(CNCCn2cnc(-c3nn[n-]n3)n2)cs1 ZINC001609600526 1171041108 /nfs/dbraw/zinc/04/11/08/1171041108.db2.gz OVIJTZADPUGONE-UHFFFAOYSA-N -1 3 321.326 0.218 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CCn1ccc([N+](=O)[O-])n1 ZINC001609854469 1171105025 /nfs/dbraw/zinc/10/50/25/1171105025.db2.gz VSTCTNPHTAPYHY-NOOOWODRSA-N -1 3 324.337 0.886 20 5 DCBDHM O=C([O-])c1cc(NC(=O)C[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001610654160 1171282938 /nfs/dbraw/zinc/28/29/38/1171282938.db2.gz UBBLEBCRNKGQJA-NSHDSACASA-N -1 3 309.278 0.610 20 5 DCBDHM O=c1[n-]ccc(N2CCN(c3cc(F)ncn3)CC2)c1[N+](=O)[O-] ZINC001612542777 1171363716 /nfs/dbraw/zinc/36/37/16/1171363716.db2.gz RHZGEDYVZGGEGZ-UHFFFAOYSA-N -1 3 320.284 0.951 20 5 DCBDHM O=c1cc(N2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)nc[n-]1 ZINC001613029793 1171366384 /nfs/dbraw/zinc/36/63/84/1171366384.db2.gz FCHMUMAZEDWXAX-MRVPVSSYSA-N -1 3 318.293 0.882 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC001654927806 1173813931 /nfs/dbraw/zinc/81/39/31/1173813931.db2.gz IQLZQQUABWWKJH-QMMMGPOBSA-N -1 3 324.380 0.904 20 5 DCBDHM Cc1nocc1S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC001662740428 1174237557 /nfs/dbraw/zinc/23/75/57/1174237557.db2.gz IDXZFAZINMHHIQ-UHFFFAOYSA-N -1 3 301.284 0.066 20 5 DCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC001671721937 1175033064 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O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnns1 ZINC001094333896 768994325 /nfs/dbraw/zinc/99/43/25/768994325.db2.gz HXZZKBUZPNIRRA-UHFFFAOYSA-N -1 3 324.322 0.779 20 5 DCBDHM CCOC(=O)c1cccc([N+](=O)[O-])c1[N-][C@H](CO)C(=O)OC ZINC001163802350 772574097 /nfs/dbraw/zinc/57/40/97/772574097.db2.gz INZSDJDRFZZYDM-SECBINFHSA-N -1 3 312.278 0.717 20 5 DCBDHM C[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001163890323 772585431 /nfs/dbraw/zinc/58/54/31/772585431.db2.gz IWONWTYBUBSVMO-CHWSQXEVSA-N -1 3 306.278 0.184 20 5 DCBDHM C[C@@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001163890324 772585678 /nfs/dbraw/zinc/58/56/78/772585678.db2.gz IWONWTYBUBSVMO-STQMWFEESA-N -1 3 306.278 0.184 20 5 DCBDHM Cc1nc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378523 776186451 /nfs/dbraw/zinc/18/64/51/776186451.db2.gz HCQPIKLQHRLECC-SFGNSQDASA-N -1 3 308.294 0.582 20 5 DCBDHM CCOC(=O)[C@H](C)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001320076135 945733825 /nfs/dbraw/zinc/73/38/25/945733825.db2.gz JVKMSYHUAGDTCC-VIFPVBQESA-N -1 3 316.335 0.966 20 5 DCBDHM CO[C@@]1(C(=O)[O-])CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329208332 949436304 /nfs/dbraw/zinc/43/63/04/949436304.db2.gz QDNBWWLZSBPQIW-OCCSQVGLSA-N -1 3 310.306 0.804 20 5 DCBDHM O=C([N-]N1CCOC1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001300867074 959990509 /nfs/dbraw/zinc/99/05/09/959990509.db2.gz MVFPWZPNVBGVAF-UHFFFAOYSA-N -1 3 309.263 0.697 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309460362 960198979 /nfs/dbraw/zinc/19/89/79/960198979.db2.gz KNGNJMDCYGIYTI-ZETCQYMHSA-N -1 3 310.353 0.250 20 5 DCBDHM Cc1cncc([N+](=O)[O-])c1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001310521410 960227786 /nfs/dbraw/zinc/22/77/86/960227786.db2.gz JAQQQTCZMIHEKP-VIFPVBQESA-N -1 3 320.309 0.354 20 5 DCBDHM Cc1c(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cccc1[N+](=O)[O-] ZINC001470306209 1016411787 /nfs/dbraw/zinc/41/17/87/1016411787.db2.gz LKHWTTTWVXETQC-QMMMGPOBSA-N -1 3 306.278 0.831 20 5 DCBDHM Cc1nn(C)c(C(=O)N2CCc3c(=O)[n-]cnc3C2)c1[N+](=O)[O-] ZINC001472544138 1016821076 /nfs/dbraw/zinc/82/10/76/1016821076.db2.gz KEEGILAIJLMLKL-UHFFFAOYSA-N -1 3 318.293 0.331 20 5 DCBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001663754256 1174348506 /nfs/dbraw/zinc/34/85/06/1174348506.db2.gz UCXNBHGMHPPJKH-JGVFFNPUSA-N -1 3 322.364 0.657 20 5 DCBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281253986 216188704 /nfs/dbraw/zinc/18/87/04/216188704.db2.gz GIMUGPAELMTEFC-QMMMGPOBSA-N -1 3 322.314 0.410 20 5 DCBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000275106632 212124101 /nfs/dbraw/zinc/12/41/01/212124101.db2.gz FEIAXIDIZSGYAJ-UHFFFAOYSA-N -1 3 308.254 0.330 20 5 DCBDHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282906411 217316122 /nfs/dbraw/zinc/31/61/22/217316122.db2.gz FIGHAVHTVPLVGK-ZETCQYMHSA-N -1 3 317.298 0.641 20 5 DCBDHM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000289495199 221017295 /nfs/dbraw/zinc/01/72/95/221017295.db2.gz JJGZXTQFWHWAAD-UWVGGRQHSA-N -1 3 320.298 0.426 20 5 DCBDHM C[C@@H](CF)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000291831698 131603450 /nfs/dbraw/zinc/60/34/50/131603450.db2.gz BVRVNWDHWDSPGS-QMMMGPOBSA-N -1 3 319.314 0.347 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000037565058 395727913 /nfs/dbraw/zinc/72/79/13/395727913.db2.gz XFHFDECPTVRFBN-UHFFFAOYSA-N -1 3 318.307 0.445 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000097444440 395758109 /nfs/dbraw/zinc/75/81/09/395758109.db2.gz GRXVUYAPCRVPDV-SECBINFHSA-N -1 3 318.351 0.900 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]CCn2ccnn2)cc1[N+](=O)[O-] ZINC000126870993 395914389 /nfs/dbraw/zinc/91/43/89/395914389.db2.gz GIJPKRFVQCISJB-UHFFFAOYSA-N -1 3 317.352 0.535 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]CCN(C)C)c([N+](=O)[O-])c1 ZINC000119171090 395868158 /nfs/dbraw/zinc/86/81/58/395868158.db2.gz DUXNHRPDSBDKAJ-UHFFFAOYSA-N -1 3 303.340 0.443 20 5 DCBDHM COc1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[n-]1 ZINC000272372663 395886615 /nfs/dbraw/zinc/88/66/15/395886615.db2.gz AWRGRGFXSRRHIP-UHFFFAOYSA-N -1 3 323.265 0.748 20 5 DCBDHM COc1nc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)n[n-]1 ZINC000272372663 395886616 /nfs/dbraw/zinc/88/66/16/395886616.db2.gz AWRGRGFXSRRHIP-UHFFFAOYSA-N -1 3 323.265 0.748 20 5 DCBDHM COc1n[n-]c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000272372663 395886621 /nfs/dbraw/zinc/88/66/21/395886621.db2.gz AWRGRGFXSRRHIP-UHFFFAOYSA-N -1 3 323.265 0.748 20 5 DCBDHM O=C(NCCN1CCSCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277609982 396076914 /nfs/dbraw/zinc/07/69/14/396076914.db2.gz APADANMASXVMAU-UHFFFAOYSA-N -1 3 312.351 0.474 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)CO)ccc1[N+](=O)[O-] ZINC000184295791 396290187 /nfs/dbraw/zinc/29/01/87/396290187.db2.gz OLNMFZXCUCAITF-UHFFFAOYSA-N -1 3 310.278 0.809 20 5 DCBDHM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000269294321 396404805 /nfs/dbraw/zinc/40/48/05/396404805.db2.gz PCPYUMGRNNURHB-SSDOTTSWSA-N -1 3 320.298 0.821 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1([C@@H](C)O)CC1 ZINC000595361835 396595357 /nfs/dbraw/zinc/59/53/57/396595357.db2.gz SEDYKGOVRMZMBV-MRVPVSSYSA-N -1 3 316.335 0.795 20 5 DCBDHM CC(C)c1n[nH]c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1[N+](=O)[O-] ZINC000597664921 397050574 /nfs/dbraw/zinc/05/05/74/397050574.db2.gz PBZNOFKCLQOCML-UHFFFAOYSA-N -1 3 322.325 0.827 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619491221 397139216 /nfs/dbraw/zinc/13/92/16/397139216.db2.gz UHPRZFREMFHNIT-SSDOTTSWSA-N -1 3 318.307 0.443 20 5 DCBDHM COC(=O)CCNC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599170021 397352494 /nfs/dbraw/zinc/35/24/94/397352494.db2.gz PIEQPVTXWCETFC-UHFFFAOYSA-N -1 3 312.282 0.177 20 5 DCBDHM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N(C)C1CC1 ZINC000610262583 397810562 /nfs/dbraw/zinc/81/05/62/397810562.db2.gz KRLOEWIYFIJDFO-SECBINFHSA-N -1 3 314.367 0.751 20 5 DCBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1C[C@H](F)CN1 ZINC000367768435 159355322 /nfs/dbraw/zinc/35/53/22/159355322.db2.gz ABCKLKCFIHBHDF-YUMQZZPRSA-N -1 3 321.305 0.712 20 5 DCBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268248059 415184006 /nfs/dbraw/zinc/18/40/06/415184006.db2.gz WKMVYUJICMHWPW-PELKAZGASA-N -1 3 306.322 0.908 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352522491 415205041 /nfs/dbraw/zinc/20/50/41/415205041.db2.gz OIVINKFTTVDZDL-JTQLQIEISA-N -1 3 304.324 0.022 20 5 DCBDHM Cc1cc(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)ncc1[N+](=O)[O-] ZINC000279027849 415511553 /nfs/dbraw/zinc/51/15/53/415511553.db2.gz IEAHDVPJKIZTHU-ZDUSSCGKSA-N -1 3 305.294 0.477 20 5 DCBDHM O=C([N-]c1cnns1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000344083884 415837855 /nfs/dbraw/zinc/83/78/55/415837855.db2.gz ZZHPAMUEQBBBTD-UHFFFAOYSA-N -1 3 321.318 0.744 20 5 DCBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000359495357 416348391 /nfs/dbraw/zinc/34/83/91/416348391.db2.gz BVXUADUBKJSGIV-UHFFFAOYSA-N -1 3 304.188 0.990 20 5 DCBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000359495357 416348392 /nfs/dbraw/zinc/34/83/92/416348392.db2.gz BVXUADUBKJSGIV-UHFFFAOYSA-N -1 3 304.188 0.990 20 5 DCBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000359495357 416348394 /nfs/dbraw/zinc/34/83/94/416348394.db2.gz BVXUADUBKJSGIV-UHFFFAOYSA-N -1 3 304.188 0.990 20 5 DCBDHM NS(=O)(=O)c1cccc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC000359905249 416365599 /nfs/dbraw/zinc/36/55/99/416365599.db2.gz TVILWAJPLRYHEN-UHFFFAOYSA-N -1 3 324.318 0.955 20 5 DCBDHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000359966878 416366938 /nfs/dbraw/zinc/36/69/38/416366938.db2.gz CEJZXEMMHDNQII-UHFFFAOYSA-N -1 3 305.250 0.308 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000360171301 416377492 /nfs/dbraw/zinc/37/74/92/416377492.db2.gz RAVWAHNMTGEPSP-UHFFFAOYSA-N -1 3 305.250 0.939 20 5 DCBDHM CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436894936 416575079 /nfs/dbraw/zinc/57/50/79/416575079.db2.gz SKOKGJBEMAWWJM-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000565960834 417035006 /nfs/dbraw/zinc/03/50/06/417035006.db2.gz NYBMAFCIKKWMBY-SECBINFHSA-N -1 3 324.337 0.097 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000524397194 417106758 /nfs/dbraw/zinc/10/67/58/417106758.db2.gz SRPGWSZBJPLHFJ-LBPRGKRZSA-N -1 3 304.306 0.766 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000360008723 271156716 /nfs/dbraw/zinc/15/67/16/271156716.db2.gz YDSGUDZPWXQMBN-SECBINFHSA-N -1 3 313.335 0.378 20 5 DCBDHM O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552027032 288260624 /nfs/dbraw/zinc/26/06/24/288260624.db2.gz SACXTHSXUVLUQM-OAHLLOKOSA-N -1 3 321.333 0.487 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC(=O)NC1 ZINC000070286846 302049725 /nfs/dbraw/zinc/04/97/25/302049725.db2.gz LKFAOYZNSSFTSC-VIFPVBQESA-N -1 3 313.335 0.460 20 5 DCBDHM O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000580354555 336259825 /nfs/dbraw/zinc/25/98/25/336259825.db2.gz JJTAFPNMLZJHFJ-HNNXBMFYSA-N -1 3 321.333 0.487 20 5 DCBDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000160482102 523968553 /nfs/dbraw/zinc/96/85/53/523968553.db2.gz PLDAEIJMCUENBL-SECBINFHSA-N -1 3 317.298 0.243 20 5 DCBDHM CCCN(CC(=O)NC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736468504 599118667 /nfs/dbraw/zinc/11/86/67/599118667.db2.gz CSDXKGBPJQUKTF-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCCN(CC(=O)NC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736468504 599118670 /nfs/dbraw/zinc/11/86/70/599118670.db2.gz CSDXKGBPJQUKTF-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM O=C([O-])NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834221732 605648532 /nfs/dbraw/zinc/64/85/32/605648532.db2.gz TZXLICWOTKMBGX-LLVKDONJSA-N -1 3 324.337 0.736 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821595177 606200509 /nfs/dbraw/zinc/20/05/09/606200509.db2.gz OOOQJBGHGILAGU-GFCCVEGCSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821595177 606200511 /nfs/dbraw/zinc/20/05/11/606200511.db2.gz OOOQJBGHGILAGU-GFCCVEGCSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CO[C@H](CO)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820803920 607029242 /nfs/dbraw/zinc/02/92/42/607029242.db2.gz JRJXLZHWKNSNGG-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CO[C@H](CO)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820803920 607029244 /nfs/dbraw/zinc/02/92/44/607029244.db2.gz JRJXLZHWKNSNGG-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM CC1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820629361 607117188 /nfs/dbraw/zinc/11/71/88/607117188.db2.gz WXGHJHIFSMVCCF-UHFFFAOYSA-N -1 3 305.298 0.521 20 5 DCBDHM CC1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820629361 607117190 /nfs/dbraw/zinc/11/71/90/607117190.db2.gz WXGHJHIFSMVCCF-UHFFFAOYSA-N -1 3 305.298 0.521 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826392404 608099830 /nfs/dbraw/zinc/09/98/30/608099830.db2.gz XDTNLMBSMYZOFA-SSDOTTSWSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826392404 608099831 /nfs/dbraw/zinc/09/98/31/608099831.db2.gz XDTNLMBSMYZOFA-SSDOTTSWSA-N -1 3 318.297 0.022 20 5 DCBDHM CC(C)(C(=O)[O-])N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000903607360 663469356 /nfs/dbraw/zinc/46/93/56/663469356.db2.gz RXRHUFXMZGTHAY-UHFFFAOYSA-N -1 3 308.338 0.971 20 5 DCBDHM Cc1cnc(N)c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000773229459 668797263 /nfs/dbraw/zinc/79/72/63/668797263.db2.gz DHXKCCBWCGDIAL-UHFFFAOYSA-N -1 3 324.322 0.581 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805607187 668899340 /nfs/dbraw/zinc/89/93/40/668899340.db2.gz SMJXYHAEOGHIIC-UHFFFAOYSA-N -1 3 321.249 0.517 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805607187 668899341 /nfs/dbraw/zinc/89/93/41/668899341.db2.gz SMJXYHAEOGHIIC-UHFFFAOYSA-N -1 3 321.249 0.517 20 5 DCBDHM CON(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000817149059 670903036 /nfs/dbraw/zinc/90/30/36/670903036.db2.gz YOKMQLRHRYLIDB-UHFFFAOYSA-N -1 3 321.286 0.032 20 5 DCBDHM O=C([O-])CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000844213699 672163656 /nfs/dbraw/zinc/16/36/56/672163656.db2.gz HVWCBWOYLGTGMW-UHFFFAOYSA-N -1 3 305.294 0.449 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001585158413 1166407316 /nfs/dbraw/zinc/40/73/16/1166407316.db2.gz RUYGWQDRPIVJHG-JTQLQIEISA-N -1 3 320.305 0.845 20 5 DCBDHM C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590150648 1166791659 /nfs/dbraw/zinc/79/16/59/1166791659.db2.gz KGROFJLGCNHMLF-CYBMUJFWSA-N -1 3 319.325 0.708 20 5 DCBDHM C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590150648 1166791668 /nfs/dbraw/zinc/79/16/68/1166791668.db2.gz KGROFJLGCNHMLF-CYBMUJFWSA-N -1 3 319.325 0.708 20 5 DCBDHM C[C@H]1C(=O)N(C)CN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590163679 1166792357 /nfs/dbraw/zinc/79/23/57/1166792357.db2.gz KZRNQBVSEZKWIM-QMMMGPOBSA-N -1 3 317.309 0.395 20 5 DCBDHM C[C@H]1C(=O)N(C)CN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590163679 1166792363 /nfs/dbraw/zinc/79/23/63/1166792363.db2.gz KZRNQBVSEZKWIM-QMMMGPOBSA-N -1 3 317.309 0.395 20 5 DCBDHM C[C@H]1C[C@H](CO)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191267 1166804662 /nfs/dbraw/zinc/80/46/62/1166804662.db2.gz FEZWKOUQGRWHCL-IUCAKERBSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1C[C@H](CO)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191267 1166804665 /nfs/dbraw/zinc/80/46/65/1166804665.db2.gz FEZWKOUQGRWHCL-IUCAKERBSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590274240 1166834678 /nfs/dbraw/zinc/83/46/78/1166834678.db2.gz HCBCNJMVBSCGJF-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590274240 1166834684 /nfs/dbraw/zinc/83/46/84/1166834684.db2.gz HCBCNJMVBSCGJF-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001590276886 1166837187 /nfs/dbraw/zinc/83/71/87/1166837187.db2.gz ORBXKQCCFDHGTD-QMMMGPOBSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001590276886 1166837191 /nfs/dbraw/zinc/83/71/91/1166837191.db2.gz ORBXKQCCFDHGTD-QMMMGPOBSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@H]1CO[C@@H](CO)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590323672 1166864694 /nfs/dbraw/zinc/86/46/94/1166864694.db2.gz NGOPCERZNJJYNU-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM CCN1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001590736266 1166996013 /nfs/dbraw/zinc/99/60/13/1166996013.db2.gz PZNYDLODPMOKQW-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CCN1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O 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PRENXMOZEBAIRG-LLVKDONJSA-N -1 3 306.282 0.584 20 5 DCBDHM CO[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591362417 1167237562 /nfs/dbraw/zinc/23/75/62/1167237562.db2.gz PRENXMOZEBAIRG-LLVKDONJSA-N -1 3 306.282 0.584 20 5 DCBDHM COCC[C@@H](COC)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591399317 1167268966 /nfs/dbraw/zinc/26/89/66/1167268966.db2.gz RYMNZIPPPMCQPJ-VIFPVBQESA-N -1 3 323.313 0.633 20 5 DCBDHM COCC[C@@H](COC)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591399317 1167268974 /nfs/dbraw/zinc/26/89/74/1167268974.db2.gz RYMNZIPPPMCQPJ-VIFPVBQESA-N -1 3 323.313 0.633 20 5 DCBDHM Cc1cc(NCc2ncn(C)n2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053612 1167446537 /nfs/dbraw/zinc/44/65/37/1167446537.db2.gz LPVIOCKXSSWRPQ-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1cc(NCc2ncn(C)n2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053612 1167446540 /nfs/dbraw/zinc/44/65/40/1167446540.db2.gz LPVIOCKXSSWRPQ-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1nnc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[nH]1 ZINC001592441071 1167525224 /nfs/dbraw/zinc/52/52/24/1167525224.db2.gz PXBUVTHMGMFEHO-YFKPBYRVSA-N -1 3 316.285 0.770 20 5 DCBDHM Cc1noc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592462035 1167531835 /nfs/dbraw/zinc/53/18/35/1167531835.db2.gz UTCZNRFOBPIRCN-UHFFFAOYSA-N -1 3 317.269 0.516 20 5 DCBDHM Cc1noc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592462035 1167531843 /nfs/dbraw/zinc/53/18/43/1167531843.db2.gz UTCZNRFOBPIRCN-UHFFFAOYSA-N -1 3 317.269 0.516 20 5 DCBDHM Cn1cc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cn1 ZINC001592573076 1167565098 /nfs/dbraw/zinc/56/50/98/1167565098.db2.gz LWMFBGFRTMVANI-UHFFFAOYSA-N -1 3 315.297 0.703 20 5 DCBDHM Cn1cc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cn1 ZINC001592573076 1167565102 /nfs/dbraw/zinc/56/51/02/1167565102.db2.gz LWMFBGFRTMVANI-UHFFFAOYSA-N -1 3 315.297 0.703 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593212453 1167738656 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CC[S@@](=O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590851176 1167038026 /nfs/dbraw/zinc/03/80/26/1167038026.db2.gz IUDOMNPPMMYSNB-OAQYLSRUSA-N -1 3 311.327 0.350 20 5 DCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc([O-])c(F)c1 ZINC001319368080 945571761 /nfs/dbraw/zinc/57/17/61/945571761.db2.gz BDJUDKWAEXWRQY-UHFFFAOYSA-N -1 3 321.264 0.918 20 5 DCBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC001252527302 945955328 /nfs/dbraw/zinc/95/53/28/945955328.db2.gz RAEZMHCXPSMWHS-UHFFFAOYSA-N -1 3 321.293 0.771 20 5 DCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2c(=O)[n-]cnc2C1 ZINC001296365769 957965782 /nfs/dbraw/zinc/96/57/82/957965782.db2.gz BRXHQVIGNZUXFD-UHFFFAOYSA-N -1 3 318.293 0.262 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c(F)c1 ZINC001464349737 1015900596 /nfs/dbraw/zinc/90/05/96/1015900596.db2.gz SUORZPIRCNRHFH-NXEZZACHSA-N -1 3 320.298 0.162 20 5 DCBDHM Cn1cc(C[C@H](CO)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001472821690 1016858249 /nfs/dbraw/zinc/85/82/49/1016858249.db2.gz URHOFFDFGDOVKZ-JTQLQIEISA-N -1 3 307.310 0.692 20 5 DCBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474993066 1017049684 /nfs/dbraw/zinc/04/96/84/1017049684.db2.gz IKGRKVUQHFXSRC-SNVBAGLBSA-N -1 3 324.380 0.640 20 5 DCBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1c[n-][nH]c1=O ZINC001557702525 1012295510 /nfs/dbraw/zinc/29/55/10/1012295510.db2.gz WGKNHJRISCUURJ-LLVKDONJSA-N -1 3 304.306 0.766 20 5 DCBDHM CCC[C@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561981138 1012481466 /nfs/dbraw/zinc/48/14/66/1012481466.db2.gz OPMSDOMRRSVQHC-JTQLQIEISA-N -1 3 303.340 0.819 20 5 DCBDHM CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561961059 1012482907 /nfs/dbraw/zinc/48/29/07/1012482907.db2.gz AVPBSACFDYYKQU-NXEZZACHSA-N -1 3 317.323 0.072 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccs2)nc1 ZINC001660781736 1174049921 /nfs/dbraw/zinc/04/99/21/1174049921.db2.gz YIXCCSANWRWTBC-UHFFFAOYSA-N -1 3 300.321 0.925 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CC(=O)NC(C)C)c([N+](=O)[O-])s1 ZINC001661132918 1174099550 /nfs/dbraw/zinc/09/95/50/1174099550.db2.gz DJNZIWUCXCYZDF-UHFFFAOYSA-N -1 3 321.380 0.768 20 5 DCBDHM Cc1nn(C)c(N2CCN(C(C)(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000567275332 291346714 /nfs/dbraw/zinc/34/67/14/291346714.db2.gz GBCZGQDJMWRHLD-UHFFFAOYSA-N -1 3 311.342 0.622 20 5 DCBDHM CC(C)NC(=O)C[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271269432 208763202 /nfs/dbraw/zinc/76/32/02/208763202.db2.gz MCPIAOUHNXUZSP-UHFFFAOYSA-N -1 3 321.380 0.996 20 5 DCBDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000350620786 254319905 /nfs/dbraw/zinc/31/99/05/254319905.db2.gz XMKLBNLVWFWBJF-MRVPVSSYSA-N -1 3 318.307 0.061 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)CO ZINC000086630005 395705030 /nfs/dbraw/zinc/70/50/30/395705030.db2.gz CDTHTLMTFDPCOH-MRVPVSSYSA-N -1 3 304.324 0.510 20 5 DCBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000230848579 395882367 /nfs/dbraw/zinc/88/23/67/395882367.db2.gz SHSGABDYWJQZGN-VIFPVBQESA-N -1 3 310.278 0.640 20 5 DCBDHM COC[C@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000231598965 395884121 /nfs/dbraw/zinc/88/41/21/395884121.db2.gz HYVYAWNFYGLDDE-SECBINFHSA-N -1 3 304.324 0.271 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000154751694 396042203 /nfs/dbraw/zinc/04/22/03/396042203.db2.gz VHCQDUGEGZINMA-UHFFFAOYSA-N -1 3 300.336 0.954 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000071304360 396112785 /nfs/dbraw/zinc/11/27/85/396112785.db2.gz ILOIWDHANSWYCZ-LLVKDONJSA-N -1 3 300.336 0.952 20 5 DCBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268848754 396374997 /nfs/dbraw/zinc/37/49/97/396374997.db2.gz ZGZKRJFQDSXZRP-QMMMGPOBSA-N -1 3 302.308 0.682 20 5 DCBDHM C[C@@H](O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594761111 396508315 /nfs/dbraw/zinc/50/83/15/396508315.db2.gz DSDSVDBMLUIPFK-MRVPVSSYSA-N -1 3 311.319 0.802 20 5 DCBDHM CC(C)[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(N)=O ZINC000288421853 396446904 /nfs/dbraw/zinc/44/69/04/396446904.db2.gz HGZVAYKQWPMNOF-MRVPVSSYSA-N -1 3 321.380 0.982 20 5 DCBDHM Cn1ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000581248033 396537476 /nfs/dbraw/zinc/53/74/76/396537476.db2.gz JVGVGUKGTLADJC-UHFFFAOYSA-N -1 3 310.335 0.849 20 5 DCBDHM O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000588869437 396697312 /nfs/dbraw/zinc/69/73/12/396697312.db2.gz PLBUPHLGQADKCC-NSHDSACASA-N -1 3 309.322 0.487 20 5 DCBDHM O=C(NC1CC1)N[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596197919 396730185 /nfs/dbraw/zinc/73/01/85/396730185.db2.gz NTZDSHXDBXFFDX-VIFPVBQESA-N -1 3 307.310 0.736 20 5 DCBDHM CS(=O)(=O)N1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596289652 396755687 /nfs/dbraw/zinc/75/56/87/396755687.db2.gz DSMFIZZSXMZFOC-ZETCQYMHSA-N -1 3 302.312 0.141 20 5 DCBDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000564911596 396897125 /nfs/dbraw/zinc/89/71/25/396897125.db2.gz NBUPFGMLGMICCQ-VXGBXAGGSA-N -1 3 316.335 0.428 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000593655754 397418643 /nfs/dbraw/zinc/41/86/43/397418643.db2.gz ADKIDMPNLBHONF-MRVPVSSYSA-N -1 3 322.314 0.602 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593655834 397419833 /nfs/dbraw/zinc/41/98/33/397419833.db2.gz CHHCHKNPMJQLDV-ZETCQYMHSA-N -1 3 312.344 0.964 20 5 DCBDHM O=C(NCC1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000123244249 286959747 /nfs/dbraw/zinc/95/97/47/286959747.db2.gz FADWGJKOZURQLO-UHFFFAOYSA-N -1 3 323.349 0.735 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000342506557 415195240 /nfs/dbraw/zinc/19/52/40/415195240.db2.gz KDAOHENTFFWCPG-YFKPBYRVSA-N -1 3 307.353 0.507 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-]CCN2CCCC2)c([N+](=O)[O-])n1 ZINC000353057217 415422512 /nfs/dbraw/zinc/42/25/12/415422512.db2.gz VNCOBYWRMPLCPU-UHFFFAOYSA-N -1 3 317.371 0.185 20 5 DCBDHM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000345505210 416106686 /nfs/dbraw/zinc/10/66/86/416106686.db2.gz LBTWCTNKUIPWLC-JTQLQIEISA-N -1 3 318.351 0.579 20 5 DCBDHM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195477225 416326718 /nfs/dbraw/zinc/32/67/18/416326718.db2.gz PZJVQOLTLSTNPG-GZMMTYOYSA-N -1 3 313.335 0.398 20 5 DCBDHM CNc1nccc(C(=O)[N-]c2nnc3ccccn32)c1[N+](=O)[O-] ZINC000557512651 416735738 /nfs/dbraw/zinc/73/57/38/416735738.db2.gz MLCGZJXRHVTGIH-UHFFFAOYSA-N -1 3 313.277 1.327 20 5 DCBDHM CCc1n[nH]c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000521695719 417024104 /nfs/dbraw/zinc/02/41/04/417024104.db2.gz WKIOITQTDRDEAL-SSDOTTSWSA-N -1 3 308.298 0.122 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000524396894 417106549 /nfs/dbraw/zinc/10/65/49/417106549.db2.gz WTWGSQZKGQIDGH-JTQLQIEISA-N -1 3 319.321 0.635 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC(N)=O ZINC000360506303 261839556 /nfs/dbraw/zinc/83/95/56/261839556.db2.gz ZDEKXORQYYIEID-QMMMGPOBSA-N -1 3 301.324 0.445 20 5 DCBDHM C[C@@H](CO[N-]C(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000496715712 272337802 /nfs/dbraw/zinc/33/78/02/272337802.db2.gz KYGWKOGGSGODSQ-DJLDLDEBSA-N -1 3 303.315 0.613 20 5 DCBDHM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186710012 278599429 /nfs/dbraw/zinc/59/94/29/278599429.db2.gz FUFMJJMOZBMILJ-UHFFFAOYSA-N -1 3 301.324 0.527 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000343361339 303020652 /nfs/dbraw/zinc/02/06/52/303020652.db2.gz OKMSGLDGRVFHEF-ISVAXAHUSA-N -1 3 322.325 0.285 20 5 DCBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000331837948 534772665 /nfs/dbraw/zinc/77/26/65/534772665.db2.gz LPLFMNVDYYZKCU-ZETCQYMHSA-N -1 3 310.291 0.033 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCOCCO ZINC000227614009 527405114 /nfs/dbraw/zinc/40/51/14/527405114.db2.gz UFJWNUSFYBDXKX-UHFFFAOYSA-N -1 3 304.324 0.272 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000823647194 599037513 /nfs/dbraw/zinc/03/75/13/599037513.db2.gz HUBCWGDYLFYHFO-MRVPVSSYSA-N -1 3 305.298 0.379 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000823647194 599037516 /nfs/dbraw/zinc/03/75/16/599037516.db2.gz HUBCWGDYLFYHFO-MRVPVSSYSA-N -1 3 305.298 0.379 20 5 DCBDHM CN(C)C(=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736746839 598499101 /nfs/dbraw/zinc/49/91/01/598499101.db2.gz ORUMJNICQHELII-UHFFFAOYSA-N -1 3 320.313 0.450 20 5 DCBDHM CN(C)C(=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736746839 598499103 /nfs/dbraw/zinc/49/91/03/598499103.db2.gz ORUMJNICQHELII-UHFFFAOYSA-N -1 3 320.313 0.450 20 5 DCBDHM CC(C)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735699909 598681189 /nfs/dbraw/zinc/68/11/89/598681189.db2.gz DIYHKYFFUNSOPZ-LBPRGKRZSA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735699909 598681187 /nfs/dbraw/zinc/68/11/87/598681187.db2.gz DIYHKYFFUNSOPZ-LBPRGKRZSA-N -1 3 307.314 0.989 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCN(C)C1=O ZINC000736853367 599531280 /nfs/dbraw/zinc/53/12/80/599531280.db2.gz XQHCWEYRWSUYFM-LLVKDONJSA-N -1 3 317.309 0.442 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCN(C)C1=O ZINC000736853367 599531282 /nfs/dbraw/zinc/53/12/82/599531282.db2.gz XQHCWEYRWSUYFM-LLVKDONJSA-N -1 3 317.309 0.442 20 5 DCBDHM CN(C[C@H]1CCOC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597772 606474539 /nfs/dbraw/zinc/47/45/39/606474539.db2.gz GVHMPPYHJKNUAA-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM CN(C[C@H]1CCOC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597772 606474541 /nfs/dbraw/zinc/47/45/41/606474541.db2.gz GVHMPPYHJKNUAA-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM NC(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000822864835 606646084 /nfs/dbraw/zinc/64/60/84/606646084.db2.gz MTLQKDATLPQUDQ-ZETCQYMHSA-N -1 3 303.282 0.087 20 5 DCBDHM CC(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824184659 607841853 /nfs/dbraw/zinc/84/18/53/607841853.db2.gz HYDYUNRQUYRQSI-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM O=[N+]([O-])c1cnn(CCNc2cnccc2-c2nnn[n-]2)c1 ZINC000826500577 608794574 /nfs/dbraw/zinc/79/45/74/608794574.db2.gz CRHVJDSVHMIJQJ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnn(CCNc2cnccc2-c2nn[n-]n2)c1 ZINC000826500577 608794577 /nfs/dbraw/zinc/79/45/77/608794577.db2.gz CRHVJDSVHMIJQJ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=C(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])NCC1CC1 ZINC000826413593 609323333 /nfs/dbraw/zinc/32/33/33/609323333.db2.gz KUOMQUZCLFPCPX-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])NCC1CC1 ZINC000826413593 609323335 /nfs/dbraw/zinc/32/33/35/609323335.db2.gz KUOMQUZCLFPCPX-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000767651303 668581605 /nfs/dbraw/zinc/58/16/05/668581605.db2.gz VBVJKFLUIHOLTF-LURJTMIESA-N -1 3 306.321 0.559 20 5 DCBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnn[n-]1 ZINC000805606443 668898722 /nfs/dbraw/zinc/89/87/22/668898722.db2.gz XFEOSPDBCWBGKD-UHFFFAOYSA-N -1 3 306.234 0.936 20 5 DCBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c[n-]nn1 ZINC000805606443 668898723 /nfs/dbraw/zinc/89/87/23/668898723.db2.gz XFEOSPDBCWBGKD-UHFFFAOYSA-N -1 3 306.234 0.936 20 5 DCBDHM Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cn1 ZINC000795330207 669884592 /nfs/dbraw/zinc/88/45/92/669884592.db2.gz LKRGOSXFPSSEJB-UHFFFAOYSA-N -1 3 309.307 0.999 20 5 DCBDHM NC(=O)Cn1ccc([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])n1 ZINC000804426338 670294180 /nfs/dbraw/zinc/29/41/80/670294180.db2.gz IGTYKJKBUGCZRH-UHFFFAOYSA-N -1 3 306.238 0.928 20 5 DCBDHM CC(COC(=O)c1ccc([N-]S(C)(=O)=O)nc1)[N+](=O)[O-] ZINC000860777793 671237956 /nfs/dbraw/zinc/23/79/56/671237956.db2.gz WEOKZGXWMXCQIW-SSDOTTSWSA-N -1 3 303.296 0.275 20 5 DCBDHM C[C@H](O)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001580441136 1165603869 /nfs/dbraw/zinc/60/38/69/1165603869.db2.gz CTIPAWXLNKLVJN-QMMMGPOBSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H](O)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001580441136 1165603873 /nfs/dbraw/zinc/60/38/73/1165603873.db2.gz CTIPAWXLNKLVJN-QMMMGPOBSA-N -1 3 319.325 0.767 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001585158414 1166407037 /nfs/dbraw/zinc/40/70/37/1166407037.db2.gz RUYGWQDRPIVJHG-SNVBAGLBSA-N -1 3 320.305 0.845 20 5 DCBDHM C[C@@H]1[C@@H](CO)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590172160 1166800264 /nfs/dbraw/zinc/80/02/64/1166800264.db2.gz YVFRIOPYWOFTEZ-PSASIEDQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1[C@@H](CO)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590172160 1166800268 /nfs/dbraw/zinc/80/02/68/1166800268.db2.gz YVFRIOPYWOFTEZ-PSASIEDQSA-N -1 3 304.310 0.982 20 5 DCBDHM CCN1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001590728278 1166983587 /nfs/dbraw/zinc/98/35/87/1166983587.db2.gz BUVZIPIKNISYID-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001590728278 1166983594 /nfs/dbraw/zinc/98/35/94/1166983594.db2.gz BUVZIPIKNISYID-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM CCON(C)C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590817806 1167030901 /nfs/dbraw/zinc/03/09/01/1167030901.db2.gz KAECHJVGTCTEBG-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCON(C)C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590817806 1167030906 /nfs/dbraw/zinc/03/09/06/1167030906.db2.gz KAECHJVGTCTEBG-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCc1nnc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[nH]1 ZINC001590913866 1167047921 /nfs/dbraw/zinc/04/79/21/1167047921.db2.gz KZGXTSHLLYAYPT-UHFFFAOYSA-N -1 3 316.285 0.463 20 5 DCBDHM CN(C)C(=O)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591000665 1167072345 /nfs/dbraw/zinc/07/23/45/1167072345.db2.gz VPQOKZXUFZJREZ-UHFFFAOYSA-N -1 3 305.298 0.299 20 5 DCBDHM CN(C)C(=O)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591000665 1167072351 /nfs/dbraw/zinc/07/23/51/1167072351.db2.gz VPQOKZXUFZJREZ-UHFFFAOYSA-N -1 3 305.298 0.299 20 5 DCBDHM COC(=O)[C@@H](F)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591276256 1167195396 /nfs/dbraw/zinc/19/53/96/1167195396.db2.gz HAJFSUHYECRKPG-ZETCQYMHSA-N -1 3 310.245 0.698 20 5 DCBDHM COC(=O)[C@@H](F)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591276256 1167195400 /nfs/dbraw/zinc/19/54/00/1167195400.db2.gz HAJFSUHYECRKPG-ZETCQYMHSA-N -1 3 310.245 0.698 20 5 DCBDHM COC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591375689 1167247799 /nfs/dbraw/zinc/24/77/99/1167247799.db2.gz HKYIBKXKACRYIF-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM Cc1cc(NC[C@@H](O)[C@H](C)O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042075 1167443538 /nfs/dbraw/zinc/44/35/38/1167443538.db2.gz WUNGYANWWMPJRU-WRWORJQWSA-N -1 3 308.298 0.237 20 5 DCBDHM Cc1cc(NC[C@@H](O)[C@H](C)O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042075 1167443543 /nfs/dbraw/zinc/44/35/43/1167443543.db2.gz WUNGYANWWMPJRU-WRWORJQWSA-N -1 3 308.298 0.237 20 5 DCBDHM Cc1cc(NC[C@@H]2COCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044984 1167444723 /nfs/dbraw/zinc/44/47/23/1167444723.db2.gz LJJTYAJBXIJXFL-SECBINFHSA-N -1 3 320.309 0.911 20 5 DCBDHM Cc1cc(NC[C@@H]2COCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044984 1167444726 /nfs/dbraw/zinc/44/47/26/1167444726.db2.gz LJJTYAJBXIJXFL-SECBINFHSA-N -1 3 320.309 0.911 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592588990 1167574035 /nfs/dbraw/zinc/57/40/35/1167574035.db2.gz NHXSETOGFDGYAM-UHFFFAOYSA-N -1 3 320.294 0.822 20 5 DCBDHM NC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592722217 1167613729 /nfs/dbraw/zinc/61/37/29/1167613729.db2.gz XUHNPBHYJBRAJF-VIFPVBQESA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592722217 1167613731 /nfs/dbraw/zinc/61/37/31/1167613731.db2.gz XUHNPBHYJBRAJF-VIFPVBQESA-N -1 3 317.309 0.477 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001593469697 1167859160 /nfs/dbraw/zinc/85/91/60/1167859160.db2.gz BZCZNTCVKDLPFY-DTORHVGOSA-N -1 3 319.350 0.969 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001593469697 1167859175 /nfs/dbraw/zinc/85/91/75/1167859175.db2.gz BZCZNTCVKDLPFY-DTORHVGOSA-N -1 3 319.350 0.969 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1OCCCO1 ZINC001593474372 1167861698 /nfs/dbraw/zinc/86/16/98/1167861698.db2.gz FAKJTUNQPYTGSK-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1OCCCO1 ZINC001593474372 1167861707 /nfs/dbraw/zinc/86/17/07/1167861707.db2.gz FAKJTUNQPYTGSK-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCOCCO ZINC001593474317 1167864999 /nfs/dbraw/zinc/86/49/99/1167864999.db2.gz BWVRKJRFZSEQIC-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCOCCO ZINC001593474317 1167865010 /nfs/dbraw/zinc/86/50/10/1167865010.db2.gz BWVRKJRFZSEQIC-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1ncn(CCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC001593488288 1167872297 /nfs/dbraw/zinc/87/22/97/1167872297.db2.gz UGWWXCRRKYYCDI-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM O=[N+]([O-])c1ncn(CCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC001593488288 1167872301 /nfs/dbraw/zinc/87/23/01/1167872301.db2.gz UGWWXCRRKYYCDI-UHFFFAOYSA-N -1 3 302.254 0.445 20 5 DCBDHM O=C([O-])c1cc(C(=O)N2CCOC3(CNC3)C2)cc([N+](=O)[O-])c1 ZINC001602244427 1169039813 /nfs/dbraw/zinc/03/98/13/1169039813.db2.gz ZOXILCUWHQFUKJ-UHFFFAOYSA-N -1 3 321.289 0.107 20 5 DCBDHM CC(=O)NC/C=C\CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001602944517 1169215510 /nfs/dbraw/zinc/21/55/10/1169215510.db2.gz DIZGIRFSGZZOQN-IHWYPQMZSA-N -1 3 317.309 0.879 20 5 DCBDHM CC(=O)NC/C=C\CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001602944517 1169215519 /nfs/dbraw/zinc/21/55/19/1169215519.db2.gz DIZGIRFSGZZOQN-IHWYPQMZSA-N -1 3 317.309 0.879 20 5 DCBDHM C[C@@H](O)C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603696161 1169360778 /nfs/dbraw/zinc/36/07/78/1169360778.db2.gz OUOHLGRIAFAWEF-SCZZXKLOSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@@H](O)C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603696161 1169360785 /nfs/dbraw/zinc/36/07/85/1169360785.db2.gz OUOHLGRIAFAWEF-SCZZXKLOSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1CO ZINC001603909931 1169431967 /nfs/dbraw/zinc/43/19/67/1169431967.db2.gz QGGPBDDXNCDZSP-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1CO ZINC001603909931 1169431973 /nfs/dbraw/zinc/43/19/73/1169431973.db2.gz QGGPBDDXNCDZSP-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603954353 1169450756 /nfs/dbraw/zinc/45/07/56/1169450756.db2.gz NYAXVDKQAWJTOX-OQPBUACISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603954353 1169450761 /nfs/dbraw/zinc/45/07/61/1169450761.db2.gz NYAXVDKQAWJTOX-OQPBUACISA-N -1 3 320.309 0.727 20 5 DCBDHM CCn1ncc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001604620624 1169633498 /nfs/dbraw/zinc/63/34/98/1169633498.db2.gz QLUHNJUOADXWHB-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1ncc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001604620624 1169633503 /nfs/dbraw/zinc/63/35/03/1169633503.db2.gz QLUHNJUOADXWHB-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CN(Cc1nncn1C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604827175 1169699780 /nfs/dbraw/zinc/69/97/80/1169699780.db2.gz XBJOFUWYPDNJOH-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(C)C(=O)CCN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605996724 1170043908 /nfs/dbraw/zinc/04/39/08/1170043908.db2.gz ACLZISPSLSFDAS-AWEZNQCLSA-N -1 3 309.322 0.963 20 5 DCBDHM NC(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606409160 1170187847 /nfs/dbraw/zinc/18/78/47/1170187847.db2.gz NOGRBQXMJHOWRF-VIFPVBQESA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606409160 1170187850 /nfs/dbraw/zinc/18/78/50/1170187850.db2.gz NOGRBQXMJHOWRF-VIFPVBQESA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606409744 1170188925 /nfs/dbraw/zinc/18/89/25/1170188925.db2.gz VYILTYGFNMQWDB-MRVPVSSYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606409744 1170188928 /nfs/dbraw/zinc/18/89/28/1170188928.db2.gz VYILTYGFNMQWDB-MRVPVSSYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606421649 1170193793 /nfs/dbraw/zinc/19/37/93/1170193793.db2.gz SDKFCZWWMWSOTP-MRVPVSSYSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606421649 1170193795 /nfs/dbraw/zinc/19/37/95/1170193795.db2.gz SDKFCZWWMWSOTP-MRVPVSSYSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001606425972 1170196659 /nfs/dbraw/zinc/19/66/59/1170196659.db2.gz IWYOOCYYTCZKQK-SECBINFHSA-N -1 3 303.282 0.229 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](CF)C2)c(-c2nnn[n-]2)c1 ZINC001607082741 1170384784 /nfs/dbraw/zinc/38/47/84/1170384784.db2.gz URPIYKXQDFSCPJ-SECBINFHSA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](CF)C2)c(-c2nn[n-]n2)c1 ZINC001607082741 1170384791 /nfs/dbraw/zinc/38/47/91/1170384791.db2.gz URPIYKXQDFSCPJ-SECBINFHSA-N -1 3 308.273 0.950 20 5 DCBDHM C[C@@H](O)C[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609128705 1170820825 /nfs/dbraw/zinc/82/08/25/1170820825.db2.gz RYSBZMKRZCXOOF-HTQZYQBOSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](O)C[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609128705 1170820829 /nfs/dbraw/zinc/82/08/29/1170820829.db2.gz RYSBZMKRZCXOOF-HTQZYQBOSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609153466 1170828425 /nfs/dbraw/zinc/82/84/25/1170828425.db2.gz VDHCZQUDXOLBNU-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609179324 1170852351 /nfs/dbraw/zinc/85/23/51/1170852351.db2.gz PQMMWMXLCZVCBE-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609179324 1170852363 /nfs/dbraw/zinc/85/23/63/1170852363.db2.gz PQMMWMXLCZVCBE-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM CC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609198194 1170865012 /nfs/dbraw/zinc/86/50/12/1170865012.db2.gz OIBPUWPGFJVTRH-LBPRGKRZSA-N -1 3 305.298 0.521 20 5 DCBDHM CC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609198194 1170865022 /nfs/dbraw/zinc/86/50/22/1170865022.db2.gz OIBPUWPGFJVTRH-LBPRGKRZSA-N -1 3 305.298 0.521 20 5 DCBDHM COC[C@](C)(O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609316617 1170931391 /nfs/dbraw/zinc/93/13/91/1170931391.db2.gz HMQMOTAMVVUWNM-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM COC[C@](C)(O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609316617 1170931398 /nfs/dbraw/zinc/93/13/98/1170931398.db2.gz HMQMOTAMVVUWNM-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM CSC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609370645 1170951690 /nfs/dbraw/zinc/95/16/90/1170951690.db2.gz RILPUHAKFUCVRA-QMMMGPOBSA-N -1 3 311.323 0.878 20 5 DCBDHM CSC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609370645 1170951692 /nfs/dbraw/zinc/95/16/92/1170951692.db2.gz RILPUHAKFUCVRA-QMMMGPOBSA-N -1 3 311.323 0.878 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@]1(O)CCOC1 ZINC001609601606 1171038726 /nfs/dbraw/zinc/03/87/26/1171038726.db2.gz PXHRKPIODRZNQR-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@]1(O)CCOC1 ZINC001609601606 1171038734 /nfs/dbraw/zinc/03/87/34/1171038734.db2.gz PXHRKPIODRZNQR-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1cnn(-c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001609604544 1171038753 /nfs/dbraw/zinc/03/87/53/1171038753.db2.gz VSMHXSSDOXBXKA-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc([N+](=O)[O-])o1 ZINC001636850316 1171751962 /nfs/dbraw/zinc/75/19/62/1171751962.db2.gz XEARPYKYITUCSY-QMMMGPOBSA-N -1 3 319.277 0.692 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC001641849455 1171931248 /nfs/dbraw/zinc/93/12/48/1171931248.db2.gz MAHZKUPKIIKJIO-MRVPVSSYSA-N -1 3 306.278 0.831 20 5 DCBDHM O=c1[n-]nc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)o1 ZINC001653589412 1173790793 /nfs/dbraw/zinc/79/07/93/1173790793.db2.gz XEXCYYXWKGDRQM-UHFFFAOYSA-N -1 3 308.298 0.760 20 5 DCBDHM COC[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC001654927805 1173814377 /nfs/dbraw/zinc/81/43/77/1173814377.db2.gz IQLZQQUABWWKJH-MRVPVSSYSA-N -1 3 324.380 0.904 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cnnc2)c(F)c1 ZINC001211934380 749679552 /nfs/dbraw/zinc/67/95/52/749679552.db2.gz UTALJEFFVCLPRK-UHFFFAOYSA-N -1 3 315.286 0.304 20 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/nfs/dbraw/zinc/57/66/28/768576628.db2.gz ZFSBJJQFCJIUHZ-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM Cc1cnn(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093496755 768578696 /nfs/dbraw/zinc/57/86/96/768578696.db2.gz UQEQDLSVZSQJBP-UHFFFAOYSA-N -1 3 320.309 0.429 20 5 DCBDHM O=C(N[C@@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001141653544 768586725 /nfs/dbraw/zinc/58/67/25/768586725.db2.gz DHTDSCXEKPHBLE-SNVBAGLBSA-N -1 3 309.322 0.487 20 5 DCBDHM O=C(Cc1cccnc1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093585837 768639427 /nfs/dbraw/zinc/63/94/27/768639427.db2.gz ZFLOZTYGTRMKCK-UHFFFAOYSA-N -1 3 317.305 0.861 20 5 DCBDHM Cc1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])nn1 ZINC001093608563 768658616 /nfs/dbraw/zinc/65/86/16/768658616.db2.gz QHCYRKKIBZTJAY-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM CCn1cnc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093752747 768713728 /nfs/dbraw/zinc/71/37/28/768713728.db2.gz DDMDCRGLZBLMQU-UHFFFAOYSA-N -1 3 320.309 0.754 20 5 DCBDHM Cc1nonc1CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093827013 768738544 /nfs/dbraw/zinc/73/85/44/768738544.db2.gz KMIOMGJWWHVXFL-UHFFFAOYSA-N -1 3 322.281 0.158 20 5 DCBDHM Cc1ncc(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001093922529 768769757 /nfs/dbraw/zinc/76/97/57/768769757.db2.gz KQLPYXVWIUQKPI-UHFFFAOYSA-N -1 3 321.293 0.763 20 5 DCBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cnc[n-]c1=O ZINC001093942438 768779138 /nfs/dbraw/zinc/77/91/38/768779138.db2.gz XTLCFTUUGHPSCW-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM O=C(CCc1ccon1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093992263 768801929 /nfs/dbraw/zinc/80/19/29/768801929.db2.gz ZOGIWJOUCHFHTP-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM COc1nc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])co1 ZINC001094013425 768811649 /nfs/dbraw/zinc/81/16/49/768811649.db2.gz IPUBVMXRXGFVKK-UHFFFAOYSA-N -1 3 323.265 0.534 20 5 DCBDHM Cc1cnc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c([N+](=O)[O-])c1 ZINC001155438620 770501941 /nfs/dbraw/zinc/50/19/41/770501941.db2.gz FMKQBZQXZNLGLY-UHFFFAOYSA-N -1 3 320.290 0.984 20 5 DCBDHM O=C([N-]n1ccccc1=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001161092694 772167029 /nfs/dbraw/zinc/16/70/29/772167029.db2.gz PSZDUVAIDOOUQT-UHFFFAOYSA-N -1 3 303.230 0.869 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(-n2c3[n-]c(=O)sc3c(=O)nc2N)n1 ZINC001163042432 772448899 /nfs/dbraw/zinc/44/88/99/772448899.db2.gz SELVLIMVUQPOJS-UHFFFAOYSA-N -1 3 320.290 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccnc2)nc1 ZINC001209707781 773636851 /nfs/dbraw/zinc/63/68/51/773636851.db2.gz TZWAJEAJCPDHFF-UHFFFAOYSA-N -1 3 324.318 0.742 20 5 DCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001339078380 953071711 /nfs/dbraw/zinc/07/17/11/953071711.db2.gz WUGWBIMUOCILKY-UHFFFAOYSA-N -1 3 315.289 0.871 20 5 DCBDHM COCCNC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001347181535 954040199 /nfs/dbraw/zinc/04/01/99/954040199.db2.gz IVZYUDIZRMEOHY-UHFFFAOYSA-N -1 3 324.337 0.674 20 5 DCBDHM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284607751 955197471 /nfs/dbraw/zinc/19/74/71/955197471.db2.gz JOQXWNDSLATQGV-NXEZZACHSA-N -1 3 322.321 0.031 20 5 DCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701839 1012289597 /nfs/dbraw/zinc/28/95/97/1012289597.db2.gz MXYJPZMGBKMMOT-MRVPVSSYSA-N -1 3 305.294 0.419 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000332594160 235165851 /nfs/dbraw/zinc/16/58/51/235165851.db2.gz BHHBCQNKKAPNBX-LBPRGKRZSA-N -1 3 304.306 0.373 20 5 DCBDHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281284670 216210465 /nfs/dbraw/zinc/21/04/65/216210465.db2.gz IGWCQMGFIRLPHO-SECBINFHSA-N -1 3 304.324 0.271 20 5 DCBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C[C@]2(O)CCOC2)c1 ZINC000339048025 253025172 /nfs/dbraw/zinc/02/51/72/253025172.db2.gz SWNQRRXQAPGVFU-GFCCVEGCSA-N -1 3 316.335 0.166 20 5 DCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000014210216 395689404 /nfs/dbraw/zinc/68/94/04/395689404.db2.gz APQHGVITHPQVET-UHFFFAOYSA-N -1 3 313.335 0.496 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C ZINC000046034439 395769564 /nfs/dbraw/zinc/76/95/64/395769564.db2.gz SHAVJRDHOHNJHH-SECBINFHSA-N -1 3 315.351 0.658 20 5 DCBDHM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CN1 ZINC000111613518 395810539 /nfs/dbraw/zinc/81/05/39/395810539.db2.gz DDFQMOOIFBJPOY-ZETCQYMHSA-N -1 3 317.298 0.291 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000234814664 395890410 /nfs/dbraw/zinc/89/04/10/395890410.db2.gz SMKIDBLBXZKRNR-ZETCQYMHSA-N -1 3 324.742 0.534 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)CN ZINC000162643663 396083219 /nfs/dbraw/zinc/08/32/19/396083219.db2.gz PIJVSAJAWSEYLQ-UHFFFAOYSA-N -1 3 309.294 0.776 20 5 DCBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000176659719 396158764 /nfs/dbraw/zinc/15/87/64/396158764.db2.gz OJFDWYPJFLBEPP-ZCFIWIBFSA-N -1 3 321.742 0.709 20 5 DCBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282214105 396272574 /nfs/dbraw/zinc/27/25/74/396272574.db2.gz GUNNUECPOACOHZ-MRVPVSSYSA-N -1 3 319.314 0.347 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ncc[nH]1 ZINC000080641840 396283231 /nfs/dbraw/zinc/28/32/31/396283231.db2.gz KUFSTRDYXRQRMZ-UHFFFAOYSA-N -1 3 312.307 0.805 20 5 DCBDHM CN(Cc1n[n-]c(=O)o1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000588849479 396695304 /nfs/dbraw/zinc/69/53/04/396695304.db2.gz RDSRXVXIYSSVBL-UHFFFAOYSA-N -1 3 318.249 0.832 20 5 DCBDHM O=C(N[C@@H]1CCCN(CCCO)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295510228 396698325 /nfs/dbraw/zinc/69/83/25/396698325.db2.gz PVLGHTWSZUENNE-SNVBAGLBSA-N -1 3 324.337 0.272 20 5 DCBDHM CN(C)C[C@@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597654209 397046385 /nfs/dbraw/zinc/04/63/85/397046385.db2.gz PQPMPHPFHMGKDY-QMMMGPOBSA-N -1 3 317.729 0.606 20 5 DCBDHM COC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000382565583 397275089 /nfs/dbraw/zinc/27/50/89/397275089.db2.gz OBCONIKRJLNCSD-NSHDSACASA-N -1 3 322.314 0.410 20 5 DCBDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000593594969 397404306 /nfs/dbraw/zinc/40/43/06/397404306.db2.gz JECRZPGQCXBTGP-LURJTMIESA-N -1 3 312.311 0.456 20 5 DCBDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000126208037 158263966 /nfs/dbraw/zinc/26/39/66/158263966.db2.gz XRYBXMHJWXBMHD-VIFPVBQESA-N -1 3 304.324 0.653 20 5 DCBDHM CS(=O)(=O)c1cccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343174307 415482703 /nfs/dbraw/zinc/48/27/03/415482703.db2.gz JMNCQLLRCPOKRJ-UHFFFAOYSA-N -1 3 310.291 0.974 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1cc[nH]c1 ZINC000086254497 415507817 /nfs/dbraw/zinc/50/78/17/415507817.db2.gz JRHLDQVOZBEQCK-UHFFFAOYSA-N -1 3 324.362 0.991 20 5 DCBDHM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000106921870 415656399 /nfs/dbraw/zinc/65/63/99/415656399.db2.gz ZWCPBNRSUIEHLL-JTQLQIEISA-N -1 3 323.353 0.061 20 5 DCBDHM COC(=O)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337766903 416006769 /nfs/dbraw/zinc/00/67/69/416006769.db2.gz DISULUPQWAMYCM-UHFFFAOYSA-N -1 3 302.308 0.745 20 5 DCBDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000358501095 416243891 /nfs/dbraw/zinc/24/38/91/416243891.db2.gz NMBWETMKOWCHOE-SNVBAGLBSA-N -1 3 318.351 0.843 20 5 DCBDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000192855100 416311482 /nfs/dbraw/zinc/31/14/82/416311482.db2.gz UHRVHVYHRZKLBW-VIFPVBQESA-N -1 3 313.335 0.494 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)NC ZINC000452092236 417447344 /nfs/dbraw/zinc/44/73/44/417447344.db2.gz UGUZGRLNWKSREY-SECBINFHSA-N -1 3 315.351 0.706 20 5 DCBDHM COC(=O)[C@H]1CN(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000411916353 271229494 /nfs/dbraw/zinc/22/94/94/271229494.db2.gz MKALZQJGJWXFFD-LBPRGKRZSA-N -1 3 323.349 0.837 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)CN)c([N+](=O)[O-])c1 ZINC000493554109 272196728 /nfs/dbraw/zinc/19/67/28/272196728.db2.gz WPKLXYAEQMLUHR-UHFFFAOYSA-N -1 3 309.294 0.776 20 5 DCBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000548519135 288149953 /nfs/dbraw/zinc/14/99/53/288149953.db2.gz OOYUMFYAQJLYHL-UHFFFAOYSA-N -1 3 322.281 0.789 20 5 DCBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000548519135 288149955 /nfs/dbraw/zinc/14/99/55/288149955.db2.gz OOYUMFYAQJLYHL-UHFFFAOYSA-N -1 3 322.281 0.789 20 5 DCBDHM CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436918397 289180535 /nfs/dbraw/zinc/18/05/35/289180535.db2.gz HRIJPDLPQBUKFO-CQSZACIVSA-N -1 3 311.338 0.733 20 5 DCBDHM CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436918396 289185242 /nfs/dbraw/zinc/18/52/42/289185242.db2.gz HRIJPDLPQBUKFO-AWEZNQCLSA-N -1 3 311.338 0.733 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000583367734 332360262 /nfs/dbraw/zinc/36/02/62/332360262.db2.gz GBTRSLJGVXNCBO-UHFFFAOYSA-N -1 3 319.281 0.196 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000583367734 332360264 /nfs/dbraw/zinc/36/02/64/332360264.db2.gz GBTRSLJGVXNCBO-UHFFFAOYSA-N -1 3 319.281 0.196 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000583367734 332360265 /nfs/dbraw/zinc/36/02/65/332360265.db2.gz GBTRSLJGVXNCBO-UHFFFAOYSA-N -1 3 319.281 0.196 20 5 DCBDHM C[S@](=O)c1nncn1-c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737169817 598896520 /nfs/dbraw/zinc/89/65/20/598896520.db2.gz DXIAAACOFJKICQ-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@](=O)c1nncn1-c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737169817 598896522 /nfs/dbraw/zinc/89/65/22/598896522.db2.gz DXIAAACOFJKICQ-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000822864834 606646010 /nfs/dbraw/zinc/64/60/10/606646010.db2.gz MTLQKDATLPQUDQ-SSDOTTSWSA-N -1 3 303.282 0.087 20 5 DCBDHM O=[N+]([O-])c1cn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000823647941 606851148 /nfs/dbraw/zinc/85/11/48/606851148.db2.gz QLIDVEYBXHEWCK-JTQLQIEISA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1cn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000823647941 606851151 /nfs/dbraw/zinc/85/11/51/606851151.db2.gz QLIDVEYBXHEWCK-JTQLQIEISA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2(CO)CCC2)c(-c2nnn[n-]2)c1 ZINC000826500858 609606210 /nfs/dbraw/zinc/60/62/10/609606210.db2.gz OXTRWSDQCSTEEF-UHFFFAOYSA-N -1 3 305.298 0.744 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2(CO)CCC2)c(-c2nn[n-]n2)c1 ZINC000826500858 609606212 /nfs/dbraw/zinc/60/62/12/609606212.db2.gz OXTRWSDQCSTEEF-UHFFFAOYSA-N -1 3 305.298 0.744 20 5 DCBDHM NC(=O)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000735921899 667062192 /nfs/dbraw/zinc/06/21/92/667062192.db2.gz YCXWBRVVUKYBTB-UHFFFAOYSA-N -1 3 313.335 0.671 20 5 DCBDHM Cc1nonc1C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000742325599 667789476 /nfs/dbraw/zinc/78/94/76/667789476.db2.gz IAHDRFKMKYGGNR-UHFFFAOYSA-N -1 3 312.307 0.906 20 5 DCBDHM C[C@@H](C(=O)NN1CC(=O)[N-]C1=O)c1ccc([N+](=O)[O-])cc1F ZINC000755053920 668055170 /nfs/dbraw/zinc/05/51/70/668055170.db2.gz OSLQHQOLQUFFIQ-ZCFIWIBFSA-N -1 3 310.241 0.420 20 5 DCBDHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000805608838 668900108 /nfs/dbraw/zinc/90/01/08/668900108.db2.gz JMNKJDRVVQXQSA-ZETCQYMHSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000805608838 668900110 /nfs/dbraw/zinc/90/01/10/668900110.db2.gz JMNKJDRVVQXQSA-ZETCQYMHSA-N -1 3 305.250 0.897 20 5 DCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc2nn[n-]c21 ZINC000800207687 669839538 /nfs/dbraw/zinc/83/95/38/669839538.db2.gz CMZPQKHJTVYGGJ-UHFFFAOYSA-N -1 3 302.250 0.920 20 5 DCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc2[n-]nnc21 ZINC000800207687 669839544 /nfs/dbraw/zinc/83/95/44/669839544.db2.gz CMZPQKHJTVYGGJ-UHFFFAOYSA-N -1 3 302.250 0.920 20 5 DCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc2n[n-]nc21 ZINC000800207687 669839550 /nfs/dbraw/zinc/83/95/50/669839550.db2.gz CMZPQKHJTVYGGJ-UHFFFAOYSA-N -1 3 302.250 0.920 20 5 DCBDHM Cc1nc(C)c(CC(=O)OCc2cn(C)nc2[N+](=O)[O-])c(=O)[n-]1 ZINC000847781436 670598800 /nfs/dbraw/zinc/59/88/00/670598800.db2.gz BTNKZNULLKIILA-UHFFFAOYSA-N -1 3 321.293 0.727 20 5 DCBDHM COC[C@@H](CO)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591262 670699218 /nfs/dbraw/zinc/69/92/18/670699218.db2.gz RTSMSLSSNQNSJZ-MRVPVSSYSA-N -1 3 320.248 0.690 20 5 DCBDHM CNC(=O)[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821629941 671286089 /nfs/dbraw/zinc/28/60/89/671286089.db2.gz HATFBHOHPPYIJJ-MRVPVSSYSA-N -1 3 319.325 0.593 20 5 DCBDHM CNC(=O)[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821629941 671286090 /nfs/dbraw/zinc/28/60/90/671286090.db2.gz HATFBHOHPPYIJJ-MRVPVSSYSA-N -1 3 319.325 0.593 20 5 DCBDHM CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C(=O)O1 ZINC000824796179 671440370 /nfs/dbraw/zinc/44/03/70/671440370.db2.gz MSSJLPNIHOPRIS-QMMMGPOBSA-N -1 3 319.281 0.676 20 5 DCBDHM Cc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000826314103 671483766 /nfs/dbraw/zinc/48/37/66/671483766.db2.gz GTZGKNYFESSPNE-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000826314103 671483769 /nfs/dbraw/zinc/48/37/69/671483769.db2.gz GTZGKNYFESSPNE-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000841522354 671938595 /nfs/dbraw/zinc/93/85/95/671938595.db2.gz HXOFEUJKRRJQLU-VDTYLAMSSA-N -1 3 320.348 0.947 20 5 DCBDHM Cn1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001581791504 1165877672 /nfs/dbraw/zinc/87/76/72/1165877672.db2.gz JRKFQCVQVKSVKM-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001581791504 1165877677 /nfs/dbraw/zinc/87/76/77/1165877677.db2.gz JRKFQCVQVKSVKM-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001590105690 1166775160 /nfs/dbraw/zinc/77/51/60/1166775160.db2.gz HYPSMVSLMNLIFO-LLVKDONJSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001590310456 1166856116 /nfs/dbraw/zinc/85/61/16/1166856116.db2.gz ZENUMUGQCWOEBQ-QMMMGPOBSA-N -1 3 317.309 0.095 20 5 DCBDHM C[C@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001590310456 1166856123 /nfs/dbraw/zinc/85/61/23/1166856123.db2.gz ZENUMUGQCWOEBQ-QMMMGPOBSA-N -1 3 317.309 0.095 20 5 DCBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001590311026 1166858124 /nfs/dbraw/zinc/85/81/24/1166858124.db2.gz DBZJLJAYCVLPDR-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001590311026 1166858131 /nfs/dbraw/zinc/85/81/31/1166858131.db2.gz DBZJLJAYCVLPDR-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM CCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(N)=O ZINC001590653871 1166961715 /nfs/dbraw/zinc/96/17/15/1166961715.db2.gz PACBLSMCKOFMLF-VIFPVBQESA-N -1 3 305.298 0.841 20 5 DCBDHM CCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(N)=O ZINC001590653871 1166961723 /nfs/dbraw/zinc/96/17/23/1166961723.db2.gz PACBLSMCKOFMLF-VIFPVBQESA-N -1 3 305.298 0.841 20 5 DCBDHM CCN(C)C(=O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590676649 1166966124 /nfs/dbraw/zinc/96/61/24/1166966124.db2.gz LSMQUILPUWEKTN-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CCOC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590800819 1167023239 /nfs/dbraw/zinc/02/32/39/1167023239.db2.gz WCHRODXTGDMUFH-VIFPVBQESA-N -1 3 309.282 0.551 20 5 DCBDHM CCOC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590800819 1167023244 /nfs/dbraw/zinc/02/32/44/1167023244.db2.gz WCHRODXTGDMUFH-VIFPVBQESA-N -1 3 309.282 0.551 20 5 DCBDHM CN(C)C(=O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591000605 1167071491 /nfs/dbraw/zinc/07/14/91/1167071491.db2.gz PBVJTMLWDWTHEZ-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CN(C)C(=O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591000605 1167071495 /nfs/dbraw/zinc/07/14/95/1167071495.db2.gz PBVJTMLWDWTHEZ-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC001591125674 1167109254 /nfs/dbraw/zinc/10/92/54/1167109254.db2.gz JLNGWDLZQHUBAA-NSHDSACASA-N -1 3 317.309 0.095 20 5 DCBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC001591125674 1167109257 /nfs/dbraw/zinc/10/92/57/1167109257.db2.gz JLNGWDLZQHUBAA-NSHDSACASA-N -1 3 317.309 0.095 20 5 DCBDHM COC(=O)[C@H](C)Sc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591230464 1167168883 /nfs/dbraw/zinc/16/88/83/1167168883.db2.gz HOJBEDYLSQTRCR-YFKPBYRVSA-N -1 3 310.295 0.824 20 5 DCBDHM COC(=O)[C@H](C)Sc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591230464 1167168886 /nfs/dbraw/zinc/16/88/86/1167168886.db2.gz HOJBEDYLSQTRCR-YFKPBYRVSA-N -1 3 310.295 0.824 20 5 DCBDHM C[C@H]1C(=O)NCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591778733 1167374611 /nfs/dbraw/zinc/37/46/11/1167374611.db2.gz IJRXWSKDUDVMMR-QMMMGPOBSA-N -1 3 317.309 0.490 20 5 DCBDHM C[C@H]1C(=O)NCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591778733 1167374614 /nfs/dbraw/zinc/37/46/14/1167374614.db2.gz IJRXWSKDUDVMMR-QMMMGPOBSA-N -1 3 317.309 0.490 20 5 DCBDHM Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cc(-c2nnn[n-]2)ccn1 ZINC001591831119 1167388097 /nfs/dbraw/zinc/38/80/97/1167388097.db2.gz ZTCBACOKXJZJII-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cc(-c2nn[n-]n2)ccn1 ZINC001591831119 1167388101 /nfs/dbraw/zinc/38/81/01/1167388101.db2.gz ZTCBACOKXJZJII-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001592070280 1167448200 /nfs/dbraw/zinc/44/82/00/1167448200.db2.gz LFNZFSKKSREZNU-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001592070280 1167448206 /nfs/dbraw/zinc/44/82/06/1167448206.db2.gz LFNZFSKKSREZNU-UHFFFAOYSA-N -1 3 313.277 0.688 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001592757057 1167633244 /nfs/dbraw/zinc/63/32/44/1167633244.db2.gz HCALZUQXDMRKNY-KNVOCYPGSA-N -1 3 305.298 0.540 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2C[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001592757057 1167633250 /nfs/dbraw/zinc/63/32/50/1167633250.db2.gz HCALZUQXDMRKNY-KNVOCYPGSA-N -1 3 305.298 0.540 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(-c2nnn[n-]2)ccn1 ZINC001593212544 1167739151 /nfs/dbraw/zinc/73/91/51/1167739151.db2.gz OIUDYANNOQVCEI-UHFFFAOYSA-N -1 3 301.226 0.145 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(-c2nn[n-]n2)ccn1 ZINC001593212544 1167739155 /nfs/dbraw/zinc/73/91/55/1167739155.db2.gz OIUDYANNOQVCEI-UHFFFAOYSA-N -1 3 301.226 0.145 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC001593213434 1167739373 /nfs/dbraw/zinc/73/93/73/1167739373.db2.gz YSTPBGSVYVTVBG-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC001593213434 1167739380 /nfs/dbraw/zinc/73/93/80/1167739380.db2.gz YSTPBGSVYVTVBG-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM Cc1c(CNCCC(=O)NCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600013581 1168092376 /nfs/dbraw/zinc/09/23/76/1168092376.db2.gz RONLTMKQEPTSOX-UHFFFAOYSA-N -1 3 309.322 0.974 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1O ZINC001603786798 1169392772 /nfs/dbraw/zinc/39/27/72/1169392772.db2.gz HFFLJLVCYYWOEL-JTQLQIEISA-N -1 3 319.325 0.767 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1O ZINC001603786798 1169392776 /nfs/dbraw/zinc/39/27/76/1169392776.db2.gz HFFLJLVCYYWOEL-JTQLQIEISA-N -1 3 319.325 0.767 20 5 DCBDHM C[S@](=O)c1nncn1-c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605361251 1169904936 /nfs/dbraw/zinc/90/49/36/1169904936.db2.gz GCZRUTSPPGPFRY-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM Cc1cnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc1 ZINC001605979474 1170040182 /nfs/dbraw/zinc/04/01/82/1170040182.db2.gz QLKVXPXRZTXWRT-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cc1cnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc1 ZINC001605979474 1170040186 /nfs/dbraw/zinc/04/01/86/1170040186.db2.gz QLKVXPXRZTXWRT-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM O=C1NCCN1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001607052743 1170372652 /nfs/dbraw/zinc/37/26/52/1170372652.db2.gz KZKGENQLXSCTSW-UHFFFAOYSA-N -1 3 318.297 0.212 20 5 DCBDHM O=C1NCCN1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001607052743 1170372657 /nfs/dbraw/zinc/37/26/57/1170372657.db2.gz KZKGENQLXSCTSW-UHFFFAOYSA-N -1 3 318.297 0.212 20 5 DCBDHM O=[N+]([O-])c1cc(N[C@@H]2CCS(=O)(=O)C2)ccc1-c1nnn[n-]1 ZINC001607078871 1170381455 /nfs/dbraw/zinc/38/14/55/1170381455.db2.gz AZOLROBXEYNORD-MRVPVSSYSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001607080632 1170382819 /nfs/dbraw/zinc/38/28/19/1170382819.db2.gz VUNKIDDMNFEQRF-NEPJUHHUSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001607080632 1170382824 /nfs/dbraw/zinc/38/28/24/1170382824.db2.gz VUNKIDDMNFEQRF-NEPJUHHUSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cn(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001607086572 1170383472 /nfs/dbraw/zinc/38/34/72/1170383472.db2.gz OSDQFXRLRQHOAE-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1cn(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001607086572 1170383485 /nfs/dbraw/zinc/38/34/85/1170383485.db2.gz OSDQFXRLRQHOAE-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1ccnn1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001607084169 1170383810 /nfs/dbraw/zinc/38/38/10/1170383810.db2.gz UFUCMKKQKBBZNS-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1ccnn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001607084169 1170383819 /nfs/dbraw/zinc/38/38/19/1170383819.db2.gz UFUCMKKQKBBZNS-UHFFFAOYSA-N -1 3 316.237 0.928 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@H]2C[C@@]2(CO)C1 ZINC001607081933 1170384719 /nfs/dbraw/zinc/38/47/19/1170384719.db2.gz LNUKLBYIFFKRQV-RNCFNFMXSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@H]2C[C@@]2(CO)C1 ZINC001607081933 1170384726 /nfs/dbraw/zinc/38/47/26/1170384726.db2.gz LNUKLBYIFFKRQV-RNCFNFMXSA-N -1 3 302.294 0.594 20 5 DCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC(O)C1 ZINC001609278752 1170909645 /nfs/dbraw/zinc/90/96/45/1170909645.db2.gz VPZUIOGIZMBLTM-UHFFFAOYSA-N -1 3 304.310 0.730 20 5 DCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC(O)C1 ZINC001609278752 1170909649 /nfs/dbraw/zinc/90/96/49/1170909649.db2.gz VPZUIOGIZMBLTM-UHFFFAOYSA-N -1 3 304.310 0.730 20 5 DCBDHM COCCOCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609328051 1170940603 /nfs/dbraw/zinc/94/06/03/1170940603.db2.gz XKHDRGSFTOTRCG-UHFFFAOYSA-N -1 3 308.298 0.850 20 5 DCBDHM COCCOCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609328051 1170940606 /nfs/dbraw/zinc/94/06/06/1170940606.db2.gz XKHDRGSFTOTRCG-UHFFFAOYSA-N -1 3 308.298 0.850 20 5 DCBDHM CSC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609370644 1170953046 /nfs/dbraw/zinc/95/30/46/1170953046.db2.gz RILPUHAKFUCVRA-MRVPVSSYSA-N -1 3 311.323 0.878 20 5 DCBDHM CSC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609370644 1170953049 /nfs/dbraw/zinc/95/30/49/1170953049.db2.gz RILPUHAKFUCVRA-MRVPVSSYSA-N -1 3 311.323 0.878 20 5 DCBDHM Cc1cc(NC[C@](C)(O)CO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409778 1170970346 /nfs/dbraw/zinc/97/03/46/1170970346.db2.gz WRQLBHKSFMDBGL-LBPRGKRZSA-N -1 3 308.298 0.239 20 5 DCBDHM Cc1cc(NC[C@](C)(O)CO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409778 1170970348 /nfs/dbraw/zinc/97/03/48/1170970348.db2.gz WRQLBHKSFMDBGL-LBPRGKRZSA-N -1 3 308.298 0.239 20 5 DCBDHM O=[N+]([O-])c1cc(N2C[C@@H](O)C3(CC3)C2)ccc1-c1nnn[n-]1 ZINC001609600475 1171038809 /nfs/dbraw/zinc/03/88/09/1171038809.db2.gz LMIJOPQGEAWGIR-LLVKDONJSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(N2CC[C@@](F)(CO)C2)ccc1-c1nnn[n-]1 ZINC001609600934 1171040776 /nfs/dbraw/zinc/04/07/76/1171040776.db2.gz KHERYYICKRFMSL-LBPRGKRZSA-N -1 3 308.273 0.686 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001615962573 1171375406 /nfs/dbraw/zinc/37/54/06/1171375406.db2.gz DZLYIGUVBMULQD-QMMMGPOBSA-N -1 3 308.269 0.976 20 5 DCBDHM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1=O ZINC001641712504 1171926960 /nfs/dbraw/zinc/92/69/60/1171926960.db2.gz ZLBHADKYRILKSK-UHFFFAOYSA-N -1 3 309.257 0.804 20 5 DCBDHM O=c1[n-]ccc(NCC23COCCN2CCOC3)c1[N+](=O)[O-] ZINC001652098708 1173761343 /nfs/dbraw/zinc/76/13/43/1173761343.db2.gz SBWGFPQZGWVJNT-UHFFFAOYSA-N -1 3 310.310 0.209 20 5 DCBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001655115847 1173815328 /nfs/dbraw/zinc/81/53/28/1173815328.db2.gz VOOPXOWBNPJULQ-QMMMGPOBSA-N -1 3 324.380 0.640 20 5 DCBDHM C[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001671986437 1175052913 /nfs/dbraw/zinc/05/29/13/1175052913.db2.gz VDKSBDHBIOVXJF-QMMMGPOBSA-N -1 3 303.340 0.675 20 5 DCBDHM O=C(NCC=CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccn[nH]1 ZINC001107053255 751795304 /nfs/dbraw/zinc/79/53/04/751795304.db2.gz KSBWBTCSILKQRV-UPHRSURJSA-N -1 3 318.293 0.817 20 5 DCBDHM Nc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001149256954 747235452 /nfs/dbraw/zinc/23/54/52/747235452.db2.gz KLFHPPCKKNXWLK-VIFPVBQESA-N -1 3 305.294 0.419 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001211716317 748476380 /nfs/dbraw/zinc/47/63/80/748476380.db2.gz LUMFOOBSOCLZBY-QMMMGPOBSA-N -1 3 322.314 0.328 20 5 DCBDHM Cc1ccnc(N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)c1[N+](=O)[O-] ZINC001059458643 749199074 /nfs/dbraw/zinc/19/90/74/749199074.db2.gz OLVMADGRESZBSU-KYZUINATSA-N -1 3 317.309 0.789 20 5 DCBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001105444610 749559809 /nfs/dbraw/zinc/55/98/09/749559809.db2.gz JQLPOZKNVKKGJY-UHFFFAOYSA-N -1 3 321.297 0.022 20 5 DCBDHM C/C=C(\C)C(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111451571 755675574 /nfs/dbraw/zinc/67/55/74/755675574.db2.gz JNCYOGHGFLFWEC-XCVCLJGOSA-N -1 3 324.337 0.894 20 5 DCBDHM CN(CCNC(=O)C1=COCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099958375 758795603 /nfs/dbraw/zinc/79/56/03/758795603.db2.gz QRMJDPIUYHPQIY-UHFFFAOYSA-N -1 3 322.321 0.942 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001168939782 760518030 /nfs/dbraw/zinc/51/80/30/760518030.db2.gz SDEHPHBRAROSNN-UHFFFAOYSA-N -1 3 318.293 0.446 20 5 DCBDHM CC(=O)CCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093508835 768589917 /nfs/dbraw/zinc/58/99/17/768589917.db2.gz HKERFXIKIPVCII-UHFFFAOYSA-N -1 3 310.310 0.983 20 5 DCBDHM CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1cnc(C)[n-]c1=O ZINC001162300231 772355476 /nfs/dbraw/zinc/35/54/76/772355476.db2.gz HGWCADFGGIAYSQ-JTQLQIEISA-N -1 3 319.277 0.976 20 5 DCBDHM CCOC(=O)c1ccnc(Nc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC001162305813 772356880 /nfs/dbraw/zinc/35/68/80/772356880.db2.gz MBYABUXTYINHGP-VIFPVBQESA-N -1 3 319.277 0.976 20 5 DCBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001163049101 772451172 /nfs/dbraw/zinc/45/11/72/772451172.db2.gz UKHHFURMIZTMLT-UHFFFAOYSA-N -1 3 324.253 0.815 20 5 DCBDHM O=c1[n-]nc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)o1 ZINC001194300524 773172043 /nfs/dbraw/zinc/17/20/43/773172043.db2.gz PGQUQBRMVOPNKV-UHFFFAOYSA-N -1 3 308.298 0.760 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c([N+](=O)[O-])s1 ZINC001211438865 773804203 /nfs/dbraw/zinc/80/42/03/773804203.db2.gz JMXOVFLEVJNKDO-ZCFIWIBFSA-N -1 3 305.337 0.132 20 5 DCBDHM CN(CCCNC(=O)c1ccn[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095473999 775149071 /nfs/dbraw/zinc/14/90/71/775149071.db2.gz BDXUFIMGEVFOTO-UHFFFAOYSA-N -1 3 320.309 0.675 20 5 DCBDHM COC(=O)CC(CC(=O)OC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666482 775705389 /nfs/dbraw/zinc/70/53/89/775705389.db2.gz JMTHLRNHWSBEBQ-UHFFFAOYSA-N -1 3 314.250 0.569 20 5 DCBDHM CC(=O)N(C)CCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001573408650 948067096 /nfs/dbraw/zinc/06/70/96/948067096.db2.gz KCWFVXIBDMMWJQ-UHFFFAOYSA-N -1 3 319.325 0.689 20 5 DCBDHM CC(=O)N(C)CCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001573408650 948067107 /nfs/dbraw/zinc/06/71/07/948067107.db2.gz KCWFVXIBDMMWJQ-UHFFFAOYSA-N -1 3 319.325 0.689 20 5 DCBDHM O=c1[n-]cnc2c1CN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC001330035066 950076157 /nfs/dbraw/zinc/07/61/57/950076157.db2.gz JUGYOAZLICDAPR-UHFFFAOYSA-N -1 3 313.277 0.696 20 5 DCBDHM COc1cc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cc([N+](=O)[O-])c1C ZINC001301696790 960008581 /nfs/dbraw/zinc/00/85/81/960008581.db2.gz JJBZSFTZQHFOOU-UHFFFAOYSA-N -1 3 320.261 0.558 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])s1 ZINC001464836299 1015954962 /nfs/dbraw/zinc/95/49/62/1015954962.db2.gz VZDXQVUSFMXBLG-ZETCQYMHSA-N -1 3 319.364 0.474 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CCn2cncn2)c([N+](=O)[O-])s1 ZINC001474943972 1017048003 /nfs/dbraw/zinc/04/80/03/1017048003.db2.gz OUSCNMBTCKUZGI-UHFFFAOYSA-N -1 3 317.352 0.535 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001443448474 1010412678 /nfs/dbraw/zinc/41/26/78/1010412678.db2.gz HUPPIMSUXQTHQY-JTQLQIEISA-N -1 3 322.325 0.118 20 5 DCBDHM Cc1c[nH]c(=O)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001561992364 1012486857 /nfs/dbraw/zinc/48/68/57/1012486857.db2.gz SOXHRZLPOGTPOM-UHFFFAOYSA-N -1 3 324.318 0.877 20 5 DCBDHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286838362 219189787 /nfs/dbraw/zinc/18/97/87/219189787.db2.gz WMMNIJUBZLLETQ-QMMMGPOBSA-N -1 3 305.331 0.962 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000275102192 212121211 /nfs/dbraw/zinc/12/12/11/212121211.db2.gz UEUNSTBRYYIZPO-ZETCQYMHSA-N -1 3 322.314 0.649 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000042319989 183254342 /nfs/dbraw/zinc/25/43/42/183254342.db2.gz ZLQRTIQYNZYOHF-SSDOTTSWSA-N -1 3 318.307 0.443 20 5 DCBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000339079747 253029646 /nfs/dbraw/zinc/02/96/46/253029646.db2.gz WXKIOIKFKXFLMF-UHFFFAOYSA-N -1 3 318.289 0.666 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000272899058 210287940 /nfs/dbraw/zinc/28/79/40/210287940.db2.gz IOTNEKXJFJXCBT-VIFPVBQESA-N -1 3 304.324 0.535 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCNC(C)=O ZINC000032404909 395710817 /nfs/dbraw/zinc/71/08/17/395710817.db2.gz UAODODRHVXTWOD-UHFFFAOYSA-N -1 3 317.323 0.018 20 5 DCBDHM COCCOCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046036260 395769523 /nfs/dbraw/zinc/76/95/23/395769523.db2.gz KDKYBYQSMDDTAF-UHFFFAOYSA-N -1 3 304.324 0.536 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048673768 395822258 /nfs/dbraw/zinc/82/22/58/395822258.db2.gz LWMNLZCPJNORTM-LURJTMIESA-N -1 3 305.287 0.147 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000270943375 395825534 /nfs/dbraw/zinc/82/55/34/395825534.db2.gz SUMZSLRIDWZOBQ-VIFPVBQESA-N -1 3 316.335 0.618 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049154826 395828528 /nfs/dbraw/zinc/82/85/28/395828528.db2.gz LVCYJNZWEMTLMX-UHFFFAOYSA-N -1 3 305.287 0.148 20 5 DCBDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278083366 396104713 /nfs/dbraw/zinc/10/47/13/396104713.db2.gz HMTUGVOFYDUNCQ-LDYMZIIASA-N -1 3 306.322 0.908 20 5 DCBDHM CCCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000283209481 396318798 /nfs/dbraw/zinc/31/87/98/396318798.db2.gz XKMFJSQZJILWKV-UHFFFAOYSA-N -1 3 315.351 0.742 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000184293301 396290350 /nfs/dbraw/zinc/29/03/50/396290350.db2.gz HZDMQNTYHLJQPA-UHFFFAOYSA-N -1 3 310.278 0.809 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000292193127 396535942 /nfs/dbraw/zinc/53/59/42/396535942.db2.gz QZDZFMXKUVUPTR-MRVPVSSYSA-N -1 3 305.287 0.276 20 5 DCBDHM CNC(=O)[C@H](C)[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000292412941 396549141 /nfs/dbraw/zinc/54/91/41/396549141.db2.gz VWZBTVIOPWCQGG-YFKPBYRVSA-N -1 3 307.353 0.606 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ncc[nH]2)CC1 ZINC000560418204 396614036 /nfs/dbraw/zinc/61/40/36/396614036.db2.gz NMDJAWJFBMSNHT-UHFFFAOYSA-N -1 3 318.293 0.381 20 5 DCBDHM O=C(NCc1n[nH]c(C2CC2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295396676 396695923 /nfs/dbraw/zinc/69/59/23/396695923.db2.gz JNOZAYSMBAKFEN-UHFFFAOYSA-N -1 3 304.266 0.621 20 5 DCBDHM COc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1[N+](=O)[O-] ZINC000588875935 396697856 /nfs/dbraw/zinc/69/78/56/396697856.db2.gz MLFGKPWPCFOSNX-UHFFFAOYSA-N -1 3 320.305 0.989 20 5 DCBDHM CS(=O)(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596066058 396713175 /nfs/dbraw/zinc/71/31/75/396713175.db2.gz LZOITSZWCXLDAY-UHFFFAOYSA-N -1 3 316.339 0.531 20 5 DCBDHM Cc1nc(CN2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)no1 ZINC000596124959 396721026 /nfs/dbraw/zinc/72/10/26/396721026.db2.gz KFAYJQWHCXNSFU-UHFFFAOYSA-N -1 3 320.309 0.709 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2O)nc1 ZINC000593595192 397404367 /nfs/dbraw/zinc/40/43/67/397404367.db2.gz CTGDVAWMCPEOIS-GHMZBOCLSA-N -1 3 315.351 0.962 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000603479455 397613291 /nfs/dbraw/zinc/61/32/91/397613291.db2.gz XIVHEUOPJPTNNS-SECBINFHSA-N -1 3 306.278 0.830 20 5 DCBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CNCCO1 ZINC000126853200 158268668 /nfs/dbraw/zinc/26/86/68/158268668.db2.gz ZMOUVQBEHOTGOZ-MRVPVSSYSA-N -1 3 319.314 0.001 20 5 DCBDHM CCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(N)=O ZINC000352528000 415208532 /nfs/dbraw/zinc/20/85/32/415208532.db2.gz HYGREUAWXSYWTD-SECBINFHSA-N -1 3 315.351 0.836 20 5 DCBDHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000352882010 415353835 /nfs/dbraw/zinc/35/38/35/415353835.db2.gz BWMGLLFUKVOQMA-VIFPVBQESA-N -1 3 313.335 0.494 20 5 DCBDHM Cc1ncc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343947095 415794619 /nfs/dbraw/zinc/79/46/19/415794619.db2.gz BOZFXYVADASDHL-UHFFFAOYSA-N -1 3 324.318 0.877 20 5 DCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000338420162 416094756 /nfs/dbraw/zinc/09/47/56/416094756.db2.gz GBTHLPGTHZGSTQ-SSDOTTSWSA-N -1 3 310.353 0.250 20 5 DCBDHM Cn1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000345530327 416110533 /nfs/dbraw/zinc/11/05/33/416110533.db2.gz ZAHPQSDKCOGYGZ-UHFFFAOYSA-N -1 3 314.298 0.946 20 5 DCBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1 ZINC000358890623 416290026 /nfs/dbraw/zinc/29/00/26/416290026.db2.gz PWNMRIYELCFHJK-SSDOTTSWSA-N -1 3 319.726 0.415 20 5 DCBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416569943 416376414 /nfs/dbraw/zinc/37/64/14/416376414.db2.gz MCILZDDWPVOGBM-NWDGAFQWSA-N -1 3 316.335 0.428 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(N)=O)c1C ZINC000360201566 416379218 /nfs/dbraw/zinc/37/92/18/416379218.db2.gz BZDZKUYEPRLUOS-MRVPVSSYSA-N -1 3 315.351 0.754 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000522257083 417056491 /nfs/dbraw/zinc/05/64/91/417056491.db2.gz UGVGIDRJJGFRLQ-GFCCVEGCSA-N -1 3 320.305 0.602 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332595777 292583590 /nfs/dbraw/zinc/58/35/90/292583590.db2.gz GSFFCVVTLHAUBQ-JTQLQIEISA-N -1 3 318.289 0.279 20 5 DCBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000452080215 287473466 /nfs/dbraw/zinc/47/34/66/287473466.db2.gz IPWNMVHGSBNLTM-JTQLQIEISA-N -1 3 315.351 0.539 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000363687407 262127354 /nfs/dbraw/zinc/12/73/54/262127354.db2.gz AASPFSISWNKLFL-NWDGAFQWSA-N -1 3 321.333 0.893 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363832979 262133219 /nfs/dbraw/zinc/13/32/19/262133219.db2.gz PIZMHOCWCUBQIW-VXGBXAGGSA-N -1 3 321.333 0.893 20 5 DCBDHM C[C@@H](CCN1CCOCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445024779 271744668 /nfs/dbraw/zinc/74/46/68/271744668.db2.gz XTPQOXLVUJUKEF-JTQLQIEISA-N -1 3 324.337 0.536 20 5 DCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2nn[n-]c21 ZINC000188557864 333048881 /nfs/dbraw/zinc/04/88/81/333048881.db2.gz WGBXNGGEVZRELY-UHFFFAOYSA-N -1 3 301.266 0.493 20 5 DCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2[n-]nnc21 ZINC000188557864 333048883 /nfs/dbraw/zinc/04/88/83/333048883.db2.gz WGBXNGGEVZRELY-UHFFFAOYSA-N -1 3 301.266 0.493 20 5 DCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2n[n-]nc21 ZINC000188557864 333048886 /nfs/dbraw/zinc/04/88/86/333048886.db2.gz WGBXNGGEVZRELY-UHFFFAOYSA-N -1 3 301.266 0.493 20 5 DCBDHM C[S@](=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737175014 598675469 /nfs/dbraw/zinc/67/54/69/598675469.db2.gz ZHWYNWLVSSXGSW-NRFANRHFSA-N -1 3 311.327 0.350 20 5 DCBDHM C[S@](=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737175014 598675470 /nfs/dbraw/zinc/67/54/70/598675470.db2.gz ZHWYNWLVSSXGSW-NRFANRHFSA-N -1 3 311.327 0.350 20 5 DCBDHM COC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736968588 598755820 /nfs/dbraw/zinc/75/58/20/598755820.db2.gz RNXQKQCMNYAZNM-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736968588 598755821 /nfs/dbraw/zinc/75/58/21/598755821.db2.gz RNXQKQCMNYAZNM-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM CN1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1=O ZINC000736846586 599531086 /nfs/dbraw/zinc/53/10/86/599531086.db2.gz RRVMFWNZVYEIOT-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1=O ZINC000736846586 599531089 /nfs/dbraw/zinc/53/10/89/599531089.db2.gz RRVMFWNZVYEIOT-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM C[C@@H](O)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824690162 607561115 /nfs/dbraw/zinc/56/11/15/607561115.db2.gz QCOCLWXLDVILOC-BDAKNGLRSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@@H](O)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824690162 607561117 /nfs/dbraw/zinc/56/11/17/607561117.db2.gz QCOCLWXLDVILOC-BDAKNGLRSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824450460 609598193 /nfs/dbraw/zinc/59/81/93/609598193.db2.gz WEYMEOZGQPQALT-NBIFTCQSSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824450460 609598195 /nfs/dbraw/zinc/59/81/95/609598195.db2.gz WEYMEOZGQPQALT-NBIFTCQSSA-N -1 3 311.327 0.349 20 5 DCBDHM CN1CC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000921414710 665302218 /nfs/dbraw/zinc/30/22/18/665302218.db2.gz VHIWACHGUHSKOU-SECBINFHSA-N -1 3 303.315 0.716 20 5 DCBDHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000750615446 667983202 /nfs/dbraw/zinc/98/32/02/667983202.db2.gz ITRSJWRHQVYCKC-NSHDSACASA-N -1 3 301.324 0.527 20 5 DCBDHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805604254 668895770 /nfs/dbraw/zinc/89/57/70/668895770.db2.gz AXSOUCGFZDGXAB-ZETCQYMHSA-N -1 3 305.250 0.897 20 5 DCBDHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805604254 668895771 /nfs/dbraw/zinc/89/57/71/668895771.db2.gz AXSOUCGFZDGXAB-ZETCQYMHSA-N -1 3 305.250 0.897 20 5 DCBDHM CN1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000778418939 668899320 /nfs/dbraw/zinc/89/93/20/668899320.db2.gz IGNIBCIDXNZAKG-SECBINFHSA-N -1 3 314.248 0.148 20 5 DCBDHM COc1ccc(OCCOC(=O)c2cnn[n-]2)c([N+](=O)[O-])c1 ZINC000805607472 668899570 /nfs/dbraw/zinc/89/95/70/668899570.db2.gz LIEDDRCCLBDBNO-UHFFFAOYSA-N -1 3 308.250 0.957 20 5 DCBDHM COc1ccc(OCCOC(=O)c2c[n-]nn2)c([N+](=O)[O-])c1 ZINC000805607472 668899572 /nfs/dbraw/zinc/89/95/72/668899572.db2.gz LIEDDRCCLBDBNO-UHFFFAOYSA-N -1 3 308.250 0.957 20 5 DCBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NN1CC(=O)[N-]C1=O ZINC000789832906 669512939 /nfs/dbraw/zinc/51/29/39/669512939.db2.gz DHRXXXWAYPJOLQ-UHFFFAOYSA-N -1 3 313.657 0.837 20 5 DCBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000808258245 670403365 /nfs/dbraw/zinc/40/33/65/670403365.db2.gz BICNEUKVTSPJMM-UHFFFAOYSA-N -1 3 323.284 0.702 20 5 DCBDHM CN1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001567188248 1160269028 /nfs/dbraw/zinc/26/90/28/1160269028.db2.gz YMIFRGIPKWOMAV-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM CC(C)(COC(=O)COc1cccc(-c2nnn[n-]2)c1)[N+](=O)[O-] ZINC001589300004 1166644794 /nfs/dbraw/zinc/64/47/94/1166644794.db2.gz XTRVWCMKJSAOLS-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM CC(C)(COC(=O)COc1cccc(-c2nn[n-]n2)c1)[N+](=O)[O-] ZINC001589300004 1166644799 /nfs/dbraw/zinc/64/47/99/1166644799.db2.gz XTRVWCMKJSAOLS-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589994229 1166741511 /nfs/dbraw/zinc/74/15/11/1166741511.db2.gz FEGLIJPULSPYQA-WPRPVWTQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589994229 1166741516 /nfs/dbraw/zinc/74/15/16/1166741516.db2.gz FEGLIJPULSPYQA-WPRPVWTQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@]1(C(N)=O)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590073850 1166767049 /nfs/dbraw/zinc/76/70/49/1166767049.db2.gz WHXWDXUKXMILGT-ZDUSSCGKSA-N -1 3 317.309 0.477 20 5 DCBDHM C[C@]1(C(N)=O)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590073850 1166767054 /nfs/dbraw/zinc/76/70/54/1166767054.db2.gz WHXWDXUKXMILGT-ZDUSSCGKSA-N -1 3 317.309 0.477 20 5 DCBDHM CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591052422 1167094706 /nfs/dbraw/zinc/09/47/06/1167094706.db2.gz AOXFCRBSJHZDSA-UHFFFAOYSA-N -1 3 319.325 0.566 20 5 DCBDHM CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591052422 1167094713 /nfs/dbraw/zinc/09/47/13/1167094713.db2.gz AOXFCRBSJHZDSA-UHFFFAOYSA-N -1 3 319.325 0.566 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591126563 1167110054 /nfs/dbraw/zinc/11/00/54/1167110054.db2.gz XATPUSNLASLASB-WAAGHKOSSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591126563 1167110057 /nfs/dbraw/zinc/11/00/57/1167110057.db2.gz XATPUSNLASLASB-WAAGHKOSSA-N -1 3 304.310 0.982 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591228575 1167168780 /nfs/dbraw/zinc/16/87/80/1167168780.db2.gz IFVYIUSVSYADAY-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM CO[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001591363571 1167238515 /nfs/dbraw/zinc/23/85/15/1167238515.db2.gz VWRGFFQODXILDG-JTQLQIEISA-N -1 3 306.282 0.584 20 5 DCBDHM CO[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001591363571 1167238523 /nfs/dbraw/zinc/23/85/23/1167238523.db2.gz VWRGFFQODXILDG-JTQLQIEISA-N -1 3 306.282 0.584 20 5 DCBDHM COC[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591394661 1167264169 /nfs/dbraw/zinc/26/41/69/1167264169.db2.gz YYUQDKSGWHKYNW-QMMMGPOBSA-N -1 3 319.325 0.830 20 5 DCBDHM COC[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591394661 1167264176 /nfs/dbraw/zinc/26/41/76/1167264176.db2.gz YYUQDKSGWHKYNW-QMMMGPOBSA-N -1 3 319.325 0.830 20 5 DCBDHM O=C(NCc1ccc(-c2nnn[n-]2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC001593136232 1167720513 /nfs/dbraw/zinc/72/05/13/1167720513.db2.gz FKPBZWFGZLNYKY-UHFFFAOYSA-N -1 3 320.294 0.490 20 5 DCBDHM O=C1C[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1 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O=C([O-])[C@@H]1C[C@@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001601769480 1168867231 /nfs/dbraw/zinc/86/72/31/1168867231.db2.gz OFQDGULDMJVCKQ-GHMZBOCLSA-N -1 3 310.306 0.741 20 5 DCBDHM C[C@@]1(NCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCOC1=O ZINC001603818077 1169402169 /nfs/dbraw/zinc/40/21/69/1169402169.db2.gz DOGUJGOAKNBPIX-CYBMUJFWSA-N -1 3 318.293 0.570 20 5 DCBDHM C[C@@]1(NCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCOC1=O ZINC001603818077 1169402173 /nfs/dbraw/zinc/40/21/73/1169402173.db2.gz DOGUJGOAKNBPIX-CYBMUJFWSA-N -1 3 318.293 0.570 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1CO ZINC001603909930 1169430792 /nfs/dbraw/zinc/43/07/92/1169430792.db2.gz QGGPBDDXNCDZSP-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1CO ZINC001603909930 1169430795 /nfs/dbraw/zinc/43/07/95/1169430795.db2.gz QGGPBDDXNCDZSP-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1O ZINC001603940209 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DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC(F)(F)CO ZINC001609601390 1171038644 /nfs/dbraw/zinc/03/86/44/1171038644.db2.gz KEOJGAATKGWGDN-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC(F)(F)CO ZINC001609601390 1171038649 /nfs/dbraw/zinc/03/86/49/1171038649.db2.gz KEOJGAATKGWGDN-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)n1 ZINC001634020294 1171658196 /nfs/dbraw/zinc/65/81/96/1171658196.db2.gz PPRKUWWWXBZUBT-UHFFFAOYSA-N -1 3 315.289 0.992 20 5 DCBDHM COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001634139121 1171662961 /nfs/dbraw/zinc/66/29/61/1171662961.db2.gz YZJIJFXLRZWMQI-SNVBAGLBSA-N -1 3 320.305 0.845 20 5 DCBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])NN1CC(=O)[N-]C1=O ZINC001648445695 1173074502 /nfs/dbraw/zinc/07/45/02/1173074502.db2.gz ZDDRSHXLGWNWEN-UHFFFAOYSA-N -1 3 310.241 0.250 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(N)=O)c(F)cc1[N+](=O)[O-] ZINC001662016740 1174175698 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NC(=O)C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103458192 765061067 /nfs/dbraw/zinc/06/10/67/765061067.db2.gz OTFDUMRWGMIZLQ-UHFFFAOYSA-N -1 3 323.309 0.022 20 5 DCBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])ncn1 ZINC001093586126 768640229 /nfs/dbraw/zinc/64/02/29/768640229.db2.gz OBUYKJOOCISNCB-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM Cc1nnc(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001093590090 768641943 /nfs/dbraw/zinc/64/19/43/768641943.db2.gz LEEKRDRGORVUMM-UHFFFAOYSA-N -1 3 322.281 0.158 20 5 DCBDHM CCn1ccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001093872689 768757694 /nfs/dbraw/zinc/75/76/94/768757694.db2.gz DSQRHABKCSWBGR-UHFFFAOYSA-N -1 3 320.309 0.754 20 5 DCBDHM Cc1ncn(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093945705 768781129 /nfs/dbraw/zinc/78/11/29/768781129.db2.gz FAKNTTLPRXCPQD-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM Cc1ccn(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001094129023 947779680 /nfs/dbraw/zinc/77/96/80/947779680.db2.gz 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DCBDHM C[C@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001589994719 1166741498 /nfs/dbraw/zinc/74/14/98/1166741498.db2.gz IJDLNYGFNPSYHF-QPUJVOFHSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001589994719 1166741502 /nfs/dbraw/zinc/74/15/02/1166741502.db2.gz IJDLNYGFNPSYHF-QPUJVOFHSA-N -1 3 320.309 0.361 20 5 DCBDHM CC1(CO)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590135823 1166784181 /nfs/dbraw/zinc/78/41/81/1166784181.db2.gz GMYJHHRMLBBMNI-UHFFFAOYSA-N -1 3 308.273 0.733 20 5 DCBDHM CC1(CO)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590135823 1166784185 /nfs/dbraw/zinc/78/41/85/1166784185.db2.gz GMYJHHRMLBBMNI-UHFFFAOYSA-N -1 3 308.273 0.733 20 5 DCBDHM CCO[C@@H]1COC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590821622 1167034359 /nfs/dbraw/zinc/03/43/59/1167034359.db2.gz UVVNWVQCVGOCLS-ZYHUDNBSSA-N -1 3 320.309 0.991 20 5 DCBDHM CCO[C@@H]1COC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590821622 1167034361 /nfs/dbraw/zinc/03/43/61/1167034361.db2.gz UVVNWVQCVGOCLS-ZYHUDNBSSA-N -1 3 320.309 0.991 20 5 DCBDHM COc1cc(C(=O)OCCC[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591519315 1167323098 /nfs/dbraw/zinc/32/30/98/1167323098.db2.gz XFBZALOZZYQRKT-UHFFFAOYSA-N -1 3 307.266 0.699 20 5 DCBDHM COc1cc(C(=O)OCCC[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591519315 1167323102 /nfs/dbraw/zinc/32/31/02/1167323102.db2.gz XFBZALOZZYQRKT-UHFFFAOYSA-N -1 3 307.266 0.699 20 5 DCBDHM Cn1nnnc1SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592612913 1167583996 /nfs/dbraw/zinc/58/39/96/1167583996.db2.gz VBLFWJUGYLTDNZ-UHFFFAOYSA-N -1 3 319.310 0.591 20 5 DCBDHM Cn1nnnc1SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592612913 1167584000 /nfs/dbraw/zinc/58/40/00/1167584000.db2.gz VBLFWJUGYLTDNZ-UHFFFAOYSA-N -1 3 319.310 0.591 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592720354 1167612345 /nfs/dbraw/zinc/61/23/45/1167612345.db2.gz LCNXMJJZFKXAOY-MRVPVSSYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592720354 1167612349 /nfs/dbraw/zinc/61/23/49/1167612349.db2.gz LCNXMJJZFKXAOY-MRVPVSSYSA-N -1 3 303.282 0.087 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)[C@H]1CCOC1 ZINC001593467550 1167859396 /nfs/dbraw/zinc/85/93/96/1167859396.db2.gz BPUASNZUSXYXIJ-GXSJLCMTSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)[C@H]1CCOC1 ZINC001593467550 1167859413 /nfs/dbraw/zinc/85/94/13/1167859413.db2.gz BPUASNZUSXYXIJ-GXSJLCMTSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H](O)[C@H]1CCCO1 ZINC001593476057 1167861476 /nfs/dbraw/zinc/86/14/76/1167861476.db2.gz UGRHGUWXLQSJCL-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H](O)[C@H]1CCCO1 ZINC001593476057 1167861485 /nfs/dbraw/zinc/86/14/85/1167861485.db2.gz UGRHGUWXLQSJCL-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593474914 1167863348 /nfs/dbraw/zinc/86/33/48/1167863348.db2.gz MOEGNOWILNFHQE-TVQRCGJNSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593474914 1167863364 /nfs/dbraw/zinc/86/33/64/1167863364.db2.gz MOEGNOWILNFHQE-TVQRCGJNSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](O)[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001593486404 1167867162 /nfs/dbraw/zinc/86/71/62/1167867162.db2.gz RKBPCRVSJLYNKM-IUCAKERBSA-N -1 3 309.261 0.079 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](O)[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001593486404 1167867173 /nfs/dbraw/zinc/86/71/73/1167867173.db2.gz RKBPCRVSJLYNKM-IUCAKERBSA-N -1 3 309.261 0.079 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001593484878 1167867819 /nfs/dbraw/zinc/86/78/19/1167867819.db2.gz LRFFVDXCSJUWKU-VHSXEESVSA-N -1 3 321.297 0.122 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001593484878 1167867834 /nfs/dbraw/zinc/86/78/34/1167867834.db2.gz LRFFVDXCSJUWKU-VHSXEESVSA-N -1 3 321.297 0.122 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](CO)CC2CC2)c(-c2nnn[n-]2)c1 ZINC001593485921 1167868014 /nfs/dbraw/zinc/86/80/14/1167868014.db2.gz ZGUAXMYUPRNZNH-SECBINFHSA-N -1 3 319.325 0.990 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](CO)CC2CC2)c(-c2nn[n-]n2)c1 ZINC001593485921 1167868033 /nfs/dbraw/zinc/86/80/33/1167868033.db2.gz ZGUAXMYUPRNZNH-SECBINFHSA-N -1 3 319.325 0.990 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H](CO)[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593478240 1167868643 /nfs/dbraw/zinc/86/86/43/1167868643.db2.gz FSBDLSMUBPKERV-QPUJVOFHSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H](CO)[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593478240 1167868654 /nfs/dbraw/zinc/86/86/54/1167868654.db2.gz FSBDLSMUBPKERV-QPUJVOFHSA-N -1 3 320.309 0.584 20 5 DCBDHM CN(Cc1ccn(C)n1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604822020 1169698276 /nfs/dbraw/zinc/69/82/76/1169698276.db2.gz UEFUONQFHKGKAW-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CN(Cc1ccn(C)n1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604822020 1169698281 /nfs/dbraw/zinc/69/82/81/1169698281.db2.gz UEFUONQFHKGKAW-UHFFFAOYSA-N -1 3 315.297 0.540 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604879162 1169727362 /nfs/dbraw/zinc/72/73/62/1169727362.db2.gz UJDLROOYCGGZFR-ZETCQYMHSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604877656 1169728207 /nfs/dbraw/zinc/72/82/07/1169728207.db2.gz DHPVVBFERUVXJU-ZETCQYMHSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604877656 1169728218 /nfs/dbraw/zinc/72/82/18/1169728218.db2.gz DHPVVBFERUVXJU-ZETCQYMHSA-N -1 3 305.298 0.711 20 5 DCBDHM Cc1cc(NCC(=O)NC2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723158 1169993120 /nfs/dbraw/zinc/99/31/20/1169993120.db2.gz GZBIVYNQCKLELU-UHFFFAOYSA-N -1 3 317.309 0.774 20 5 DCBDHM Cc1cc(NCC(=O)NC2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723158 1169993123 /nfs/dbraw/zinc/99/31/23/1169993123.db2.gz GZBIVYNQCKLELU-UHFFFAOYSA-N -1 3 317.309 0.774 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H](O)C2(CC2)C1 ZINC001607078074 1170382647 /nfs/dbraw/zinc/38/26/47/1170382647.db2.gz JHTZPKBYIXLFTF-NSHDSACASA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H](O)C2(CC2)C1 ZINC001607078074 1170382649 /nfs/dbraw/zinc/38/26/49/1170382649.db2.gz JHTZPKBYIXLFTF-NSHDSACASA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])CCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001607076638 1170382859 /nfs/dbraw/zinc/38/28/59/1170382859.db2.gz RMXGJELHOMSMKJ-UHFFFAOYSA-N -1 3 321.316 0.405 20 5 DCBDHM O=[N+]([O-])CCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001607076638 1170382866 /nfs/dbraw/zinc/38/28/66/1170382866.db2.gz RMXGJELHOMSMKJ-UHFFFAOYSA-N -1 3 321.316 0.405 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC2(C1)CCOCC2 ZINC001607080954 1170385335 /nfs/dbraw/zinc/38/53/35/1170385335.db2.gz VTRGIEXXBVEKGR-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC2(C1)CCOCC2 ZINC001607080954 1170385343 /nfs/dbraw/zinc/38/53/43/1170385343.db2.gz VTRGIEXXBVEKGR-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC001607086624 1170386922 /nfs/dbraw/zinc/38/69/22/1170386922.db2.gz RFZUSCYPDMSDOZ-LLVKDONJSA-N -1 3 317.309 0.785 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC001607086624 1170386926 /nfs/dbraw/zinc/38/69/26/1170386926.db2.gz RFZUSCYPDMSDOZ-LLVKDONJSA-N -1 3 317.309 0.785 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609179325 1170854380 /nfs/dbraw/zinc/85/43/80/1170854380.db2.gz PQMMWMXLCZVCBE-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609179325 1170854388 /nfs/dbraw/zinc/85/43/88/1170854388.db2.gz PQMMWMXLCZVCBE-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM CN1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001609282993 1170910812 /nfs/dbraw/zinc/91/08/12/1170910812.db2.gz DVTBKURIPLYRFG-QMMMGPOBSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O ZINC001609282993 1170910814 /nfs/dbraw/zinc/91/08/14/1170910814.db2.gz DVTBKURIPLYRFG-QMMMGPOBSA-N -1 3 303.282 0.418 20 5 DCBDHM O=[N+]([O-])c1cc(Sc2n[nH]c(CO)n2)ccc1-c1nnn[n-]1 ZINC001609600850 1171040917 /nfs/dbraw/zinc/04/09/17/1171040917.db2.gz HFFIGUJIZSAGLK-UHFFFAOYSA-N -1 3 320.294 0.537 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001613030410 1171365430 /nfs/dbraw/zinc/36/54/30/1171365430.db2.gz RLOGYZXSCRCCQN-MRVPVSSYSA-N -1 3 305.298 0.515 20 5 DCBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001628213819 1171521836 /nfs/dbraw/zinc/52/18/36/1171521836.db2.gz SNRPFRMOWUBWRA-UHFFFAOYSA-N -1 3 320.309 0.797 20 5 DCBDHM O=c1[n-]ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1[N+](=O)[O-] ZINC001652198135 1173765478 /nfs/dbraw/zinc/76/54/78/1173765478.db2.gz RYRNVNKPCULAIC-RKDXNWHRSA-N -1 3 313.335 0.566 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001655848098 1173828578 /nfs/dbraw/zinc/82/85/78/1173828578.db2.gz OABREDMEKRRFTO-VIFPVBQESA-N -1 3 319.325 0.823 20 5 DCBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001059562497 749328110 /nfs/dbraw/zinc/32/81/10/749328110.db2.gz PHVIXSCDAATGOT-DTORHVGOSA-N -1 3 318.293 0.791 20 5 DCBDHM CCOC(=O)c1cccc([N+](=O)[O-])c1-n1[n-]c(=O)nc1CN ZINC001168761437 754614405 /nfs/dbraw/zinc/61/44/05/754614405.db2.gz QFLYDSURAUQHMP-UHFFFAOYSA-N -1 3 307.266 0.517 20 5 DCBDHM C/C=C(/C)C(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111451570 755675764 /nfs/dbraw/zinc/67/57/64/755675764.db2.gz JNCYOGHGFLFWEC-KMKOMSMNSA-N -1 3 324.337 0.894 20 5 DCBDHM CC(C)OCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093140790 768461640 /nfs/dbraw/zinc/46/16/40/768461640.db2.gz HQLFRBDNUKFAOI-UHFFFAOYSA-N -1 3 324.337 0.769 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccnc1 ZINC001093449099 768568219 /nfs/dbraw/zinc/56/82/19/768568219.db2.gz QSCMEAIRSPPZAL-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC001149670582 768810476 /nfs/dbraw/zinc/81/04/76/768810476.db2.gz FMWZHDLVALCZHO-UHFFFAOYSA-N -1 3 318.293 0.528 20 5 DCBDHM Cn1ccc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001094435017 769051329 /nfs/dbraw/zinc/05/13/29/769051329.db2.gz BLWIOAQTUCRQAY-UHFFFAOYSA-N -1 3 320.309 0.661 20 5 DCBDHM Cc1nc(-n2c3[n-]c(=O)sc3c(=O)nc2N)ccc1[N+](=O)[O-] ZINC001155440834 770505048 /nfs/dbraw/zinc/50/50/48/770505048.db2.gz XAXVXRJVXGPHEV-UHFFFAOYSA-N -1 3 320.290 0.984 20 5 DCBDHM CCN1CC[C@@H](Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001226652825 775856326 /nfs/dbraw/zinc/85/63/26/775856326.db2.gz ODPJZRVYQKHIRK-SSDOTTSWSA-N -1 3 312.282 0.350 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COCO2)c(Cl)c1 ZINC001463846299 1013172174 /nfs/dbraw/zinc/17/21/74/1013172174.db2.gz UBAHTKUIIJSVBP-MRVPVSSYSA-N -1 3 322.726 0.899 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DCBDHM CCN(CC)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000036904741 670206740 /nfs/dbraw/zinc/20/67/40/670206740.db2.gz FVTKSAAARZPNLQ-UHFFFAOYSA-N -1 3 317.367 0.921 20 5 DCBDHM COC[C@H](CO)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848590183 670699141 /nfs/dbraw/zinc/69/91/41/670699141.db2.gz RTSMSLSSNQNSJZ-QMMMGPOBSA-N -1 3 320.248 0.690 20 5 DCBDHM C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856416287 670818120 /nfs/dbraw/zinc/81/81/20/670818120.db2.gz VBMWNUMDAPTGHV-LURQLKTLSA-N -1 3 323.271 0.567 20 5 DCBDHM CN(CC(C)(C)S(C)(=O)=O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853463385 671233162 /nfs/dbraw/zinc/23/31/62/671233162.db2.gz NIRPPYFQOUFABO-UHFFFAOYSA-N -1 3 303.340 0.955 20 5 DCBDHM CN(Cc1cn[nH]c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579261236 1165254360 /nfs/dbraw/zinc/25/43/60/1165254360.db2.gz RKNWEXHNWRBYSS-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CN(Cc1cn[nH]c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579261236 1165254367 /nfs/dbraw/zinc/25/43/67/1165254367.db2.gz RKNWEXHNWRBYSS-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM COC1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001579617423 1165360307 /nfs/dbraw/zinc/36/03/07/1165360307.db2.gz CNYDMKMXEHFTNX-UHFFFAOYSA-N -1 3 319.325 0.972 20 5 DCBDHM COC1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001579617423 1165360310 /nfs/dbraw/zinc/36/03/10/1165360310.db2.gz CNYDMKMXEHFTNX-UHFFFAOYSA-N -1 3 319.325 0.972 20 5 DCBDHM Nc1ncccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581910428 1165913576 /nfs/dbraw/zinc/91/35/76/1165913576.db2.gz PMJNNOVJBBGNPC-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1ncccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581910428 1165913580 /nfs/dbraw/zinc/91/35/80/1165913580.db2.gz PMJNNOVJBBGNPC-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC2(C1)CCOC2 ZINC001582803696 1166085313 /nfs/dbraw/zinc/08/53/13/1166085313.db2.gz QVMSSFGSGFACNO-UHFFFAOYSA-N -1 3 303.282 0.397 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC2(C1)CCOC2 ZINC001582803696 1166085318 /nfs/dbraw/zinc/08/53/18/1166085318.db2.gz QVMSSFGSGFACNO-UHFFFAOYSA-N -1 3 303.282 0.397 20 5 DCBDHM Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC001583383571 1166247829 /nfs/dbraw/zinc/24/78/29/1166247829.db2.gz WLFJSOAOYPWPKY-UHFFFAOYSA-N -1 3 320.309 0.647 20 5 DCBDHM CC(C)C1(O)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589493680 1166663607 /nfs/dbraw/zinc/66/36/07/1166663607.db2.gz FPDNLSPSOWPFRY-UHFFFAOYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC(C)C1(O)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589493680 1166663611 /nfs/dbraw/zinc/66/36/11/1166663611.db2.gz FPDNLSPSOWPFRY-UHFFFAOYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC(C)NC(=O)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589719560 1166676715 /nfs/dbraw/zinc/67/67/15/1166676715.db2.gz HTJGBUDJEHMUBV-UHFFFAOYSA-N -1 3 319.325 0.736 20 5 DCBDHM CC(C)NC(=O)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589719560 1166676720 /nfs/dbraw/zinc/67/67/20/1166676720.db2.gz HTJGBUDJEHMUBV-UHFFFAOYSA-N -1 3 319.325 0.736 20 5 DCBDHM CCN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1=O ZINC001590736668 1166994720 /nfs/dbraw/zinc/99/47/20/1166994720.db2.gz VBDXTHBJSRUGQP-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CCO[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590822900 1167033609 /nfs/dbraw/zinc/03/36/09/1167033609.db2.gz KWTHULQCSOUEQO-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CCO[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590822900 1167033614 /nfs/dbraw/zinc/03/36/14/1167033614.db2.gz KWTHULQCSOUEQO-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CN(C)C(=O)OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591004808 1167074448 /nfs/dbraw/zinc/07/44/48/1167074448.db2.gz SRNUURXILFCILM-UHFFFAOYSA-N -1 3 322.285 0.280 20 5 DCBDHM CN(C)C(=O)OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591004808 1167074449 /nfs/dbraw/zinc/07/44/49/1167074449.db2.gz SRNUURXILFCILM-UHFFFAOYSA-N -1 3 322.285 0.280 20 5 DCBDHM 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20 5 DCBDHM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001591745504 1167365686 /nfs/dbraw/zinc/36/56/86/1167365686.db2.gz XRDLXMVPIRSBJK-SECBINFHSA-N -1 3 304.310 0.996 20 5 DCBDHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591745504 1167365692 /nfs/dbraw/zinc/36/56/92/1167365692.db2.gz XRDLXMVPIRSBJK-SECBINFHSA-N -1 3 304.310 0.996 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591774587 1167374809 /nfs/dbraw/zinc/37/48/09/1167374809.db2.gz FIEPMAFQCXXAAZ-IONNQARKSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591774587 1167374812 /nfs/dbraw/zinc/37/48/12/1167374812.db2.gz FIEPMAFQCXXAAZ-IONNQARKSA-N -1 3 305.298 0.377 20 5 DCBDHM Cn1nccc1CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592608028 1167582407 /nfs/dbraw/zinc/58/24/07/1167582407.db2.gz ZTIWJVOPTGYMFM-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Cn1nccc1CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592608028 1167582412 /nfs/dbraw/zinc/58/24/12/1167582412.db2.gz ZTIWJVOPTGYMFM-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@H](O)C2)c1-c1nnn[n-]1 ZINC001592757123 1167632845 /nfs/dbraw/zinc/63/28/45/1167632845.db2.gz IFOIIKSTBXBNMS-SFYZADRCSA-N -1 3 319.325 0.930 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC001592757123 1167632851 /nfs/dbraw/zinc/63/28/51/1167632851.db2.gz IFOIIKSTBXBNMS-SFYZADRCSA-N -1 3 319.325 0.930 20 5 DCBDHM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1c(F)cccc1[N+](=O)[O-] ZINC001593197854 1167735213 /nfs/dbraw/zinc/73/52/13/1167735213.db2.gz OYTYIHGUGAUCHP-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C1C[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1 ZINC001593385683 1167799402 /nfs/dbraw/zinc/79/94/02/1167799402.db2.gz KXELEVOJQYGITB-SSDOTTSWSA-N -1 3 303.282 0.323 20 5 DCBDHM O=C1C[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1 ZINC001593385683 1167799412 /nfs/dbraw/zinc/79/94/12/1167799412.db2.gz KXELEVOJQYGITB-SSDOTTSWSA-N -1 3 303.282 0.323 20 5 DCBDHM O=CN1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001593414861 1167826468 /nfs/dbraw/zinc/82/64/68/1167826468.db2.gz YSDZVGSYUGVJLW-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM O=CN1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001593414861 1167826480 /nfs/dbraw/zinc/82/64/80/1167826480.db2.gz YSDZVGSYUGVJLW-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC2(C1)CCCOC2 ZINC001593471746 1167861356 /nfs/dbraw/zinc/86/13/56/1167861356.db2.gz YBZJTNKSPMUJIV-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC2(C1)CCCOC2 ZINC001593471746 1167861373 /nfs/dbraw/zinc/86/13/73/1167861373.db2.gz YBZJTNKSPMUJIV-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001593473258 1167863246 /nfs/dbraw/zinc/86/32/46/1167863246.db2.gz SSCWNDIYJICORH-MRTMQBJTSA-N -1 3 303.282 0.902 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001593473258 1167863255 /nfs/dbraw/zinc/86/32/55/1167863255.db2.gz SSCWNDIYJICORH-MRTMQBJTSA-N -1 3 303.282 0.902 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCC3(C2)OCCO3)ccc1-c1nnn[n-]1 ZINC001593470686 1167863661 /nfs/dbraw/zinc/86/36/61/1167863661.db2.gz HQIJQRAGPTZFQS-UHFFFAOYSA-N -1 3 318.293 0.728 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCn2nncc2C1 ZINC001593476485 1167864175 /nfs/dbraw/zinc/86/41/75/1167864175.db2.gz XHLNHWLEFYGAMJ-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCn2nncc2C1 ZINC001593476485 1167864191 /nfs/dbraw/zinc/86/41/91/1167864191.db2.gz XHLNHWLEFYGAMJ-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM CC(CO)(CO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603565090 1169324062 /nfs/dbraw/zinc/32/40/62/1169324062.db2.gz ISVXSEZKRYELAM-UHFFFAOYSA-N -1 3 308.298 0.178 20 5 DCBDHM CC(CO)(CO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603565090 1169324065 /nfs/dbraw/zinc/32/40/65/1169324065.db2.gz ISVXSEZKRYELAM-UHFFFAOYSA-N -1 3 308.298 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CO[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591472202 1167301567 /nfs/dbraw/zinc/30/15/67/1167301567.db2.gz VEUUUJPEVXJLFP-WDEREUQCSA-N -1 3 306.282 0.601 20 5 DCBDHM CO[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591472202 1167301575 /nfs/dbraw/zinc/30/15/75/1167301575.db2.gz VEUUUJPEVXJLFP-WDEREUQCSA-N -1 3 306.282 0.601 20 5 DCBDHM Cc1cc(NC[C@@H]2COCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044438 1167443987 /nfs/dbraw/zinc/44/39/87/1167443987.db2.gz IATKFJXYJIGVFA-MRVPVSSYSA-N -1 3 306.282 0.868 20 5 DCBDHM Cc1cc(NC[C@@H]2COCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044438 1167443991 /nfs/dbraw/zinc/44/39/91/1167443991.db2.gz IATKFJXYJIGVFA-MRVPVSSYSA-N -1 3 306.282 0.868 20 5 DCBDHM Cc1cc(N[C@@H]2COC(=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592055144 1167446846 /nfs/dbraw/zinc/44/68/46/1167446846.db2.gz WHSZHUYAPDBCDC-ZETCQYMHSA-N -1 3 304.266 0.811 20 5 DCBDHM Cc1cc(N[C@@H]2COC(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592055144 1167446848 /nfs/dbraw/zinc/44/68/48/1167446848.db2.gz WHSZHUYAPDBCDC-ZETCQYMHSA-N -1 3 304.266 0.811 20 5 DCBDHM NC(=O)CC1CC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001592724418 1167613651 /nfs/dbraw/zinc/61/36/51/1167613651.db2.gz KLGOKXIOYLKGHD-UHFFFAOYSA-N -1 3 317.309 0.841 20 5 DCBDHM NC(=O)CC1CC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001592724418 1167613654 /nfs/dbraw/zinc/61/36/54/1167613654.db2.gz KLGOKXIOYLKGHD-UHFFFAOYSA-N -1 3 317.309 0.841 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001593291235 1167764747 /nfs/dbraw/zinc/76/47/47/1167764747.db2.gz FPSAWRNRGGJEBJ-NSHDSACASA-N -1 3 319.277 0.997 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001593291235 1167764752 /nfs/dbraw/zinc/76/47/52/1167764752.db2.gz FPSAWRNRGGJEBJ-NSHDSACASA-N -1 3 319.277 0.997 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)[C@H]1CCOC1 ZINC001593467553 1167858265 /nfs/dbraw/zinc/85/82/65/1167858265.db2.gz BPUASNZUSXYXIJ-ONGXEEELSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)[C@H]1CCOC1 ZINC001593467553 1167858274 /nfs/dbraw/zinc/85/82/74/1167858274.db2.gz BPUASNZUSXYXIJ-ONGXEEELSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(NC[C@@]2(O)CCOC2)ccc1-c1nnn[n-]1 ZINC001593473382 1167861092 /nfs/dbraw/zinc/86/10/92/1167861092.db2.gz AIOXDWVWDVBAAM-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)C2CCC2)c(-c2nnn[n-]2)c1 ZINC001593485040 1167865587 /nfs/dbraw/zinc/86/55/87/1167865587.db2.gz OUZWWITZOFKIEE-SNVBAGLBSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)C2CCC2)c(-c2nn[n-]n2)c1 ZINC001593485040 1167865596 /nfs/dbraw/zinc/86/55/96/1167865596.db2.gz OUZWWITZOFKIEE-SNVBAGLBSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1COCCO1 ZINC001593479904 1167866239 /nfs/dbraw/zinc/86/62/39/1167866239.db2.gz CCWGRTZGUKHPNX-QMMMGPOBSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1COCCO1 ZINC001593479904 1167866251 /nfs/dbraw/zinc/86/62/51/1167866251.db2.gz CCWGRTZGUKHPNX-QMMMGPOBSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593478244 1167869264 /nfs/dbraw/zinc/86/92/64/1167869264.db2.gz RTSFUUGWKQXWBB-HFKOZYHYSA-N -1 3 320.309 0.461 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593478244 1167869271 /nfs/dbraw/zinc/86/92/71/1167869271.db2.gz RTSFUUGWKQXWBB-HFKOZYHYSA-N -1 3 320.309 0.461 20 5 DCBDHM O=c1c(F)cc([N+](=O)[O-])cn1Cc1cc(-c2nnn[n-]2)ccn1 ZINC001593494416 1167876774 /nfs/dbraw/zinc/87/67/74/1167876774.db2.gz WLOIFHXPSDJRPN-UHFFFAOYSA-N -1 3 317.240 0.519 20 5 DCBDHM O=c1c(F)cc([N+](=O)[O-])cn1Cc1cc(-c2nn[n-]n2)ccn1 ZINC001593494416 1167876780 /nfs/dbraw/zinc/87/67/80/1167876780.db2.gz WLOIFHXPSDJRPN-UHFFFAOYSA-N -1 3 317.240 0.519 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1O ZINC001604112725 1169495493 /nfs/dbraw/zinc/49/54/93/1169495493.db2.gz ZDNXYTDIBYMNCJ-XVKPBYJWSA-N -1 3 319.325 0.564 20 5 DCBDHM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1O ZINC001604112725 1169495497 /nfs/dbraw/zinc/49/54/97/1169495497.db2.gz ZDNXYTDIBYMNCJ-XVKPBYJWSA-N -1 3 319.325 0.564 20 5 DCBDHM CCN(OC)C(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604326289 1169554429 /nfs/dbraw/zinc/55/44/29/1169554429.db2.gz AWVGALRHFWRYKP-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCN(OC)C(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604326289 1169554435 /nfs/dbraw/zinc/55/44/35/1169554435.db2.gz AWVGALRHFWRYKP-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604717148 1169662860 /nfs/dbraw/zinc/66/28/60/1169662860.db2.gz GPYFNZRMFNILCY-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604717148 1169662863 /nfs/dbraw/zinc/66/28/63/1169662863.db2.gz GPYFNZRMFNILCY-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM COC(=O)[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604960247 1169765813 /nfs/dbraw/zinc/76/58/13/1169765813.db2.gz RXSRJAVUYDOJPR-ZETCQYMHSA-N -1 3 306.282 0.773 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1Cc2cncn2C1 ZINC001607079996 1170382113 /nfs/dbraw/zinc/38/21/13/1170382113.db2.gz FWONAUSLNMBBTA-QMMMGPOBSA-N -1 3 313.281 0.403 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1Cc2cncn2C1 ZINC001607079996 1170382119 /nfs/dbraw/zinc/38/21/19/1170382119.db2.gz FWONAUSLNMBBTA-QMMMGPOBSA-N -1 3 313.281 0.403 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H]2C[C@]2(CO)C1 ZINC001607084014 1170383277 /nfs/dbraw/zinc/38/32/77/1170383277.db2.gz QILFQFVSILKVGG-ISVAXAHUSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H]2C[C@]2(CO)C1 ZINC001607084014 1170383283 /nfs/dbraw/zinc/38/32/83/1170383283.db2.gz QILFQFVSILKVGG-ISVAXAHUSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001607082323 1170384943 /nfs/dbraw/zinc/38/49/43/1170384943.db2.gz OVINRLFRDRYGMO-NEPJUHHUSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001607082323 1170384948 /nfs/dbraw/zinc/38/49/48/1170384948.db2.gz OVINRLFRDRYGMO-NEPJUHHUSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCN2CCOCC2)c(-c2nnn[n-]2)c1 ZINC001607082086 1170385388 /nfs/dbraw/zinc/38/53/88/1170385388.db2.gz LPEPFXWCXACKBW-UHFFFAOYSA-N -1 3 319.325 0.519 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCN2CCOCC2)c(-c2nn[n-]n2)c1 ZINC001607082086 1170385394 /nfs/dbraw/zinc/38/53/94/1170385394.db2.gz LPEPFXWCXACKBW-UHFFFAOYSA-N -1 3 319.325 0.519 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](CF)C2)c(-c2nnn[n-]2)c1 ZINC001607082847 1170385482 /nfs/dbraw/zinc/38/54/82/1170385482.db2.gz URPIYKXQDFSCPJ-VIFPVBQESA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](CF)C2)c(-c2nn[n-]n2)c1 ZINC001607082847 1170385488 /nfs/dbraw/zinc/38/54/88/1170385488.db2.gz URPIYKXQDFSCPJ-VIFPVBQESA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCn2cncn2)c(-c2nnn[n-]2)c1 ZINC001607082050 1170385503 /nfs/dbraw/zinc/38/55/03/1170385503.db2.gz IHYWBQGXNVXABL-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCn2cncn2)c(-c2nn[n-]n2)c1 ZINC001607082050 1170385508 /nfs/dbraw/zinc/38/55/08/1170385508.db2.gz IHYWBQGXNVXABL-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=c1scnn1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001607091966 1170388841 /nfs/dbraw/zinc/38/88/41/1170388841.db2.gz NEVBZXNDHFBHHR-UHFFFAOYSA-N -1 3 305.279 0.441 20 5 DCBDHM O=c1scnn1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001607091966 1170388845 /nfs/dbraw/zinc/38/88/45/1170388845.db2.gz NEVBZXNDHFBHHR-UHFFFAOYSA-N -1 3 305.279 0.441 20 5 DCBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001607588801 1170481236 /nfs/dbraw/zinc/48/12/36/1170481236.db2.gz AWARILOJQXPKEC-SECBINFHSA-N -1 3 322.321 0.564 20 5 DCBDHM CC(C)N(CC(N)=O)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609098591 1170809480 /nfs/dbraw/zinc/80/94/80/1170809480.db2.gz WQIKRQGOVSZVLN-UHFFFAOYSA-N -1 3 319.325 0.471 20 5 DCBDHM CC(C)N(CC(N)=O)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609098591 1170809486 /nfs/dbraw/zinc/80/94/86/1170809486.db2.gz WQIKRQGOVSZVLN-UHFFFAOYSA-N -1 3 319.325 0.471 20 5 DCBDHM C[C@@H](O)C[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609128707 1170820194 /nfs/dbraw/zinc/82/01/94/1170820194.db2.gz RYSBZMKRZCXOOF-JGVFFNPUSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](O)C[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609128707 1170820199 /nfs/dbraw/zinc/82/01/99/1170820199.db2.gz RYSBZMKRZCXOOF-JGVFFNPUSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609128923 1170820279 /nfs/dbraw/zinc/82/02/79/1170820279.db2.gz VDDJHJDIPTZEEG-BDAKNGLRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609128923 1170820284 /nfs/dbraw/zinc/82/02/84/1170820284.db2.gz VDDJHJDIPTZEEG-BDAKNGLRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609153567 1170829544 /nfs/dbraw/zinc/82/95/44/1170829544.db2.gz XTSJORQONSOFSE-SSDOTTSWSA-N -1 3 303.282 0.399 20 5 DCBDHM C[C@@H]1C(=O)N(C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609153567 1170829555 /nfs/dbraw/zinc/82/95/55/1170829555.db2.gz XTSJORQONSOFSE-SSDOTTSWSA-N -1 3 303.282 0.399 20 5 DCBDHM CCCN(CC(N)=O)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609212644 1170871798 /nfs/dbraw/zinc/87/17/98/1170871798.db2.gz DASZJUIDIDJYDG-UHFFFAOYSA-N -1 3 305.298 0.477 20 5 DCBDHM COC[C@H](O)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609317938 1170932685 /nfs/dbraw/zinc/93/26/85/1170932685.db2.gz MRVHGSMUBPQRAK-SECBINFHSA-N -1 3 322.325 0.893 20 5 DCBDHM COC[C@H](O)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609317938 1170932687 /nfs/dbraw/zinc/93/26/87/1170932687.db2.gz MRVHGSMUBPQRAK-SECBINFHSA-N -1 3 322.325 0.893 20 5 DCBDHM COCC[C@](C)(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609321001 1170935059 /nfs/dbraw/zinc/93/50/59/1170935059.db2.gz KJSJZMYSIZHJTQ-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@](C)(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609321001 1170935062 /nfs/dbraw/zinc/93/50/62/1170935062.db2.gz KJSJZMYSIZHJTQ-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H](O)C1CC1 ZINC001609575487 1171027270 /nfs/dbraw/zinc/02/72/70/1171027270.db2.gz RACDXHWPPZTOGI-NSHDSACASA-N -1 3 319.277 0.589 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H](O)C1CC1 ZINC001609575487 1171027278 /nfs/dbraw/zinc/02/72/78/1171027278.db2.gz RACDXHWPPZTOGI-NSHDSACASA-N -1 3 319.277 0.589 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@](O)(CO)C1 ZINC001609600898 1171040671 /nfs/dbraw/zinc/04/06/71/1171040671.db2.gz JAOGHLBOVAJXFD-CYBMUJFWSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@](O)(CO)C1 ZINC001609600898 1171040678 /nfs/dbraw/zinc/04/06/78/1171040678.db2.gz 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/nfs/dbraw/zinc/43/12/82/271431282.db2.gz QEKYHFRGAAJCJC-UHFFFAOYSA-N -1 3 310.295 0.619 20 5 DCBDHM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451951063 271902474 /nfs/dbraw/zinc/90/24/74/271902474.db2.gz BUTCLFPECQPWHJ-VIFPVBQESA-N -1 3 315.351 0.706 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000546399948 288017983 /nfs/dbraw/zinc/01/79/83/288017983.db2.gz CUVWXTQEBWQQGX-VIFPVBQESA-N -1 3 317.261 0.704 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCS(=O)CC1 ZINC000738360836 598244109 /nfs/dbraw/zinc/24/41/09/598244109.db2.gz ZRMHJBPKDDRHTH-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCS(=O)CC1 ZINC000738360836 598244111 /nfs/dbraw/zinc/24/41/11/598244111.db2.gz ZRMHJBPKDDRHTH-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736890530 598298995 /nfs/dbraw/zinc/29/89/95/598298995.db2.gz ALWNSHJOUUPLOO-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736890530 598298996 /nfs/dbraw/zinc/29/89/96/598298996.db2.gz ALWNSHJOUUPLOO-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM O=C([O-])[C@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000833771499 604969150 /nfs/dbraw/zinc/96/91/50/604969150.db2.gz HPTMKPVMPMYMRE-GFCCVEGCSA-N -1 3 321.333 0.943 20 5 DCBDHM O=C([O-])NCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000834226106 605650580 /nfs/dbraw/zinc/65/05/80/605650580.db2.gz VAUVXACPLAYZOL-UHFFFAOYSA-N -1 3 324.337 0.736 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821595178 606200711 /nfs/dbraw/zinc/20/07/11/606200711.db2.gz OOOQJBGHGILAGU-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821595178 606200713 /nfs/dbraw/zinc/20/07/13/606200713.db2.gz OOOQJBGHGILAGU-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820641085 606475204 /nfs/dbraw/zinc/47/52/04/606475204.db2.gz ADCJLLKMOIYSNM-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820641085 606475205 /nfs/dbraw/zinc/47/52/05/606475205.db2.gz ADCJLLKMOIYSNM-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM O=[N+]([O-])c1cc(NCCN2CCOCC2)ccc1-c1nnn[n-]1 ZINC000823634440 606644436 /nfs/dbraw/zinc/64/44/36/606644436.db2.gz FPGNDBYCYOICLU-UHFFFAOYSA-N -1 3 319.325 0.519 20 5 DCBDHM O=[N+]([O-])c1cc(NCCN2CCOCC2)ccc1-c1nn[n-]n1 ZINC000823634440 606644437 /nfs/dbraw/zinc/64/44/37/606644437.db2.gz FPGNDBYCYOICLU-UHFFFAOYSA-N -1 3 319.325 0.519 20 5 DCBDHM CN1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000826045402 607840559 /nfs/dbraw/zinc/84/05/59/607840559.db2.gz VTZITPTUSYTBDK-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000826045402 607840560 /nfs/dbraw/zinc/84/05/60/607840560.db2.gz VTZITPTUSYTBDK-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM C[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824843143 608304252 /nfs/dbraw/zinc/30/42/52/608304252.db2.gz ALJJLSSSKDPOEQ-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM C[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824843143 608304253 /nfs/dbraw/zinc/30/42/53/608304253.db2.gz ALJJLSSSKDPOEQ-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM COCC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(N)=O ZINC000826155234 608587609 /nfs/dbraw/zinc/58/76/09/608587609.db2.gz KHQHSOHTBJGVEY-SECBINFHSA-N -1 3 321.297 0.077 20 5 DCBDHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(N)=O ZINC000826155234 608587610 /nfs/dbraw/zinc/58/76/10/608587610.db2.gz KHQHSOHTBJGVEY-SECBINFHSA-N -1 3 321.297 0.077 20 5 DCBDHM COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(N)=O ZINC000826155053 608587931 /nfs/dbraw/zinc/58/79/31/608587931.db2.gz DWOTXTAPRHCASN-SNVBAGLBSA-N -1 3 321.297 0.077 20 5 DCBDHM COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(N)=O ZINC000826155053 608587932 /nfs/dbraw/zinc/58/79/32/608587932.db2.gz DWOTXTAPRHCASN-SNVBAGLBSA-N -1 3 321.297 0.077 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCn1ccnn1 ZINC000826497439 609599915 /nfs/dbraw/zinc/59/99/15/609599915.db2.gz HLKUFTFNPJMGQA-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCn1ccnn1 ZINC000826497439 609599916 /nfs/dbraw/zinc/59/99/16/609599916.db2.gz HLKUFTFNPJMGQA-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM CN1CCN(C)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000888989522 657553955 /nfs/dbraw/zinc/55/39/55/657553955.db2.gz PDFLJPYOZGXCRH-UHFFFAOYSA-N -1 3 322.365 0.620 20 5 DCBDHM COC(=O)c1cc(C(=O)OCc2cn(C)nc2[N+](=O)[O-])c[n-]1 ZINC000847785962 670599862 /nfs/dbraw/zinc/59/98/62/670599862.db2.gz LHFYSSSJPWNPCQ-UHFFFAOYSA-N -1 3 308.250 0.800 20 5 DCBDHM CON(C)C(=O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000817149084 670902966 /nfs/dbraw/zinc/90/29/66/670902966.db2.gz ZHEADVAMGXMKBB-UHFFFAOYSA-N -1 3 317.323 0.034 20 5 DCBDHM Cn1nccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845911140 672282106 /nfs/dbraw/zinc/28/21/06/672282106.db2.gz OUNFTYDLJMSIAC-UHFFFAOYSA-N -1 3 311.323 0.244 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590279269 1166839961 /nfs/dbraw/zinc/83/99/61/1166839961.db2.gz YNTAIICRCKVGIG-RDDDGLTNSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@H]1CCNC(=O)[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590279271 1166840902 /nfs/dbraw/zinc/84/09/02/1166840902.db2.gz YNTAIICRCKVGIG-WRWORJQWSA-N -1 3 317.309 0.711 20 5 DCBDHM CCCNC(=O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590637686 1166957244 /nfs/dbraw/zinc/95/72/44/1166957244.db2.gz CCOWGPPTYSZNDB-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCON(C)C(=O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590817894 1167030515 /nfs/dbraw/zinc/03/05/15/1167030515.db2.gz NSLLIETXBIIODH-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCON(C)C(=O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590817894 1167030519 /nfs/dbraw/zinc/03/05/19/1167030519.db2.gz NSLLIETXBIIODH-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM COC(=O)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591253522 1167179391 /nfs/dbraw/zinc/17/93/91/1167179391.db2.gz RJWIKXXEZXMMGK-ZETCQYMHSA-N -1 3 319.281 0.169 20 5 DCBDHM COC(=O)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591253522 1167179394 /nfs/dbraw/zinc/17/93/94/1167179394.db2.gz RJWIKXXEZXMMGK-ZETCQYMHSA-N -1 3 319.281 0.169 20 5 DCBDHM CON(C)C(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591462207 1167296951 /nfs/dbraw/zinc/29/69/51/1167296951.db2.gz DPNCBHVDFUBZEX-UHFFFAOYSA-N -1 3 307.270 0.207 20 5 DCBDHM CON(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591462207 1167296956 /nfs/dbraw/zinc/29/69/56/1167296956.db2.gz DPNCBHVDFUBZEX-UHFFFAOYSA-N -1 3 307.270 0.207 20 5 DCBDHM Cc1cc(NC[C@H]2COCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044986 1167443723 /nfs/dbraw/zinc/44/37/23/1167443723.db2.gz LJJTYAJBXIJXFL-VIFPVBQESA-N -1 3 320.309 0.911 20 5 DCBDHM Cc1cc(NC[C@H]2COCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044986 1167443725 /nfs/dbraw/zinc/44/37/25/1167443725.db2.gz LJJTYAJBXIJXFL-VIFPVBQESA-N -1 3 320.309 0.911 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](O)CC2)c1-c1nnn[n-]1 ZINC001592757217 1167634163 /nfs/dbraw/zinc/63/41/63/1167634163.db2.gz NYTXGYJFDPFREB-QMMMGPOBSA-N -1 3 319.325 0.708 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](O)CC2)c1-c1nn[n-]n1 ZINC001592757217 1167634167 /nfs/dbraw/zinc/63/41/67/1167634167.db2.gz NYTXGYJFDPFREB-QMMMGPOBSA-N -1 3 319.325 0.708 20 5 DCBDHM O=C1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCN1 ZINC001593394618 1167807912 /nfs/dbraw/zinc/80/79/12/1167807912.db2.gz RCGJLJCRUXZSDH-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCN1 ZINC001593394618 1167807918 /nfs/dbraw/zinc/80/79/18/1167807918.db2.gz RCGJLJCRUXZSDH-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCn1cnnc1 ZINC001593482489 1167866567 /nfs/dbraw/zinc/86/65/67/1167866567.db2.gz BTZLZHZALLYQME-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCn1cnnc1 ZINC001593482489 1167866574 /nfs/dbraw/zinc/86/65/74/1167866574.db2.gz BTZLZHZALLYQME-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H]2CC[C@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593485012 1167867199 /nfs/dbraw/zinc/86/71/99/1167867199.db2.gz NEAMFUURNBMXJJ-CBAPKCEASA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H]2CC[C@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593485012 1167867207 /nfs/dbraw/zinc/86/72/07/1167867207.db2.gz NEAMFUURNBMXJJ-CBAPKCEASA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCn2ccnc21 ZINC001593482678 1167869451 /nfs/dbraw/zinc/86/94/51/1167869451.db2.gz OVWGBVQCDXOCKD-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCn2ccnc21 ZINC001593482678 1167869460 /nfs/dbraw/zinc/86/94/60/1167869460.db2.gz OVWGBVQCDXOCKD-UHFFFAOYSA-N -1 3 312.293 0.992 20 5 DCBDHM O=C([O-])[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC001601674996 1168811121 /nfs/dbraw/zinc/81/11/21/1168811121.db2.gz KHBPJDWSTVZHTA-LBPRGKRZSA-N -1 3 306.278 0.912 20 5 DCBDHM CC(=O)N1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001602931257 1169211288 /nfs/dbraw/zinc/21/12/88/1169211288.db2.gz ZIGRZUSHKIGEDN-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM CC(=O)N1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001602931257 1169211291 /nfs/dbraw/zinc/21/12/91/1169211291.db2.gz ZIGRZUSHKIGEDN-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603695584 1169356895 /nfs/dbraw/zinc/35/68/95/1169356895.db2.gz MGTVSVRACAYNQK-SFYZADRCSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603695584 1169356902 /nfs/dbraw/zinc/35/69/02/1169356902.db2.gz MGTVSVRACAYNQK-SFYZADRCSA-N -1 3 319.325 0.564 20 5 DCBDHM CC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001603807897 1169400395 /nfs/dbraw/zinc/40/03/95/1169400395.db2.gz HNHMOATVFKHVRZ-UHFFFAOYSA-N -1 3 319.325 0.769 20 5 DCBDHM CC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001603807897 1169400400 /nfs/dbraw/zinc/40/04/00/1169400400.db2.gz HNHMOATVFKHVRZ-UHFFFAOYSA-N -1 3 319.325 0.769 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001603939431 1169443586 /nfs/dbraw/zinc/44/35/86/1169443586.db2.gz UDPZNDLICMWOJY-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001603939431 1169443592 /nfs/dbraw/zinc/44/35/92/1169443592.db2.gz UDPZNDLICMWOJY-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM CCn1nncc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604629473 1169636638 /nfs/dbraw/zinc/63/66/38/1169636638.db2.gz SXEICRJFYXJWAQ-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1nncc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604629473 1169636642 /nfs/dbraw/zinc/63/66/42/1169636642.db2.gz SXEICRJFYXJWAQ-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM COCC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605080216 1169814672 /nfs/dbraw/zinc/81/46/72/1169814672.db2.gz XITGHYLLDMJAMF-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM COCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605080216 1169814687 /nfs/dbraw/zinc/81/46/87/1169814687.db2.gz XITGHYLLDMJAMF-SECBINFHSA-N -1 3 308.298 0.584 20 5 DCBDHM CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001606245453 1170135997 /nfs/dbraw/zinc/13/59/97/1170135997.db2.gz HVPWFCRTQPBHQH-SNVBAGLBSA-N -1 3 322.321 0.146 20 5 DCBDHM COC[C@H](O)CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606939134 1170333714 /nfs/dbraw/zinc/33/37/14/1170333714.db2.gz PTGSKUKYAJHEDG-SNVBAGLBSA-N -1 3 314.294 0.155 20 5 DCBDHM O=C1CCCN1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001607043929 1170368732 /nfs/dbraw/zinc/36/87/32/1170368732.db2.gz UUEWXLPIGHYUJV-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=C1CCCN1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001607043929 1170368736 /nfs/dbraw/zinc/36/87/36/1170368736.db2.gz UUEWXLPIGHYUJV-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001607082789 1170384504 /nfs/dbraw/zinc/38/45/04/1170384504.db2.gz SMCGWNPWTMZOKD-MYJAWHEDSA-N -1 3 302.294 0.449 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001607082789 1170384511 /nfs/dbraw/zinc/38/45/11/1170384511.db2.gz SMCGWNPWTMZOKD-MYJAWHEDSA-N -1 3 302.294 0.449 20 5 DCBDHM Cc1nn(C)c(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1[N+](=O)[O-] ZINC001613030587 1171365813 /nfs/dbraw/zinc/36/58/13/1171365813.db2.gz VJNJUOKTZVIIFO-VIFPVBQESA-N -1 3 319.325 0.823 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2CO)nc1 ZINC001621831855 1171415051 /nfs/dbraw/zinc/41/50/51/1171415051.db2.gz WKDZYTMJYJBZJU-UHFFFAOYSA-N -1 3 323.330 0.961 20 5 DCBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC001640914088 1171898898 /nfs/dbraw/zinc/89/88/98/1171898898.db2.gz MFUKSKQWTZPQBB-SSDOTTSWSA-N -1 3 324.268 0.970 20 5 DCBDHM COC(=O)c1ccnc(NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001642282412 1171940710 /nfs/dbraw/zinc/94/07/10/1171940710.db2.gz OUADXFHHDVTOMY-QMMMGPOBSA-N -1 3 321.293 0.700 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C)C2=O)c([N+](=O)[O-])s1 ZINC001655070572 1173815545 /nfs/dbraw/zinc/81/55/45/1173815545.db2.gz USXJLGZUJYNRJO-SSDOTTSWSA-N -1 3 319.364 0.474 20 5 DCBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001105333490 748150373 /nfs/dbraw/zinc/15/03/73/748150373.db2.gz NNSDIRFHPVXNQQ-UHFFFAOYSA-N -1 3 320.309 0.627 20 5 DCBDHM O=C(COc1cccc([N+](=O)[O-])c1)NCCCc1c[n-][nH]c1=O ZINC001168404444 750569867 /nfs/dbraw/zinc/56/98/67/750569867.db2.gz LXIVVEHQQPYPPA-JTQLQIEISA-N -1 3 320.305 0.602 20 5 DCBDHM COCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001061915672 754564053 /nfs/dbraw/zinc/56/40/53/754564053.db2.gz WDQJJJOCIGYOER-AOOOYVTPSA-N -1 3 322.321 0.521 20 5 DCBDHM CCOC(=O)c1cc(-n2[n-]c(=O)nc2CN)ccc1[N+](=O)[O-] ZINC001168763509 755175889 /nfs/dbraw/zinc/17/58/89/755175889.db2.gz WZTXJQBTKXLDNU-UHFFFAOYSA-N -1 3 307.266 0.517 20 5 DCBDHM CN(CCNC(=O)c1cnc[n-]c1=O)c1ccc([N+](=O)[O-])cn1 ZINC001100209332 763394990 /nfs/dbraw/zinc/39/49/90/763394990.db2.gz GQVKBTPYPPFWSS-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM Cc1n[nH]cc1C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101881717 764396223 /nfs/dbraw/zinc/39/62/23/764396223.db2.gz MARUFLXIOZGQTK-UHFFFAOYSA-N -1 3 320.309 0.911 20 5 DCBDHM Cn1cc(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001093515312 768594063 /nfs/dbraw/zinc/59/40/63/768594063.db2.gz FJAUEKBUMKCMLX-UHFFFAOYSA-N -1 3 320.309 0.200 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCc2nc(C)cc(=O)[n-]2)n1 ZINC001164369384 772650852 /nfs/dbraw/zinc/65/08/52/772650852.db2.gz MSLJNNCMLUFTQC-UHFFFAOYSA-N -1 3 306.282 0.545 20 5 DCBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)O1 ZINC001193566731 773078739 /nfs/dbraw/zinc/07/87/39/773078739.db2.gz PHPJWXSMNJRWNO-MRTMQBJTSA-N -1 3 301.324 0.834 20 5 DCBDHM CC[C@](C)([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(N)=O ZINC001195387920 773399236 /nfs/dbraw/zinc/39/92/36/773399236.db2.gz VZEQFPHYJOBECM-JTQLQIEISA-N -1 3 321.380 0.897 20 5 DCBDHM CC1(C(=O)N(CCO)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001111579787 775671809 /nfs/dbraw/zinc/67/18/09/775671809.db2.gz QVNGHNAEHSTHIA-UHFFFAOYSA-N -1 3 324.337 0.728 20 5 DCBDHM CCCC(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111420828 775862864 /nfs/dbraw/zinc/86/28/64/775862864.db2.gz ULDLUDGLRYBRFT-UHFFFAOYSA-N -1 3 312.326 0.728 20 5 DCBDHM Cc1[n-]c(=O)cc(OC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC001228686560 776114539 /nfs/dbraw/zinc/11/45/39/776114539.db2.gz ONXUDYWFNBGLJM-UHFFFAOYSA-N -1 3 302.308 0.960 20 5 DCBDHM Cn1nc2c(cc1=O)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001327687212 948596066 /nfs/dbraw/zinc/59/60/66/948596066.db2.gz FQHFJEGUHFRTAQ-UHFFFAOYSA-N -1 3 303.278 0.352 20 5 DCBDHM CO[C@]1(C(=O)[O-])CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329208333 949434799 /nfs/dbraw/zinc/43/47/99/949434799.db2.gz QDNBWWLZSBPQIW-TZMCWYRMSA-N -1 3 310.306 0.804 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccncc2)nc1 ZINC001463302248 1013123040 /nfs/dbraw/zinc/12/30/40/1013123040.db2.gz YDACWQZZEKUDBD-UHFFFAOYSA-N -1 3 308.319 0.906 20 5 DCBDHM CON(C)C(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309597884 960203724 /nfs/dbraw/zinc/20/37/24/960203724.db2.gz ZGGDUAVELUOOKW-UHFFFAOYSA-N -1 3 323.352 0.263 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)n1 ZINC001443448504 1010413398 /nfs/dbraw/zinc/41/33/98/1010413398.db2.gz IHCMMSGSFSHHGR-QMMMGPOBSA-N -1 3 308.298 0.053 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332595778 235168645 /nfs/dbraw/zinc/16/86/45/235168645.db2.gz GSFFCVVTLHAUBQ-SNVBAGLBSA-N -1 3 318.289 0.279 20 5 DCBDHM NC(=O)c1nn[n-]c1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800523 241160545 /nfs/dbraw/zinc/16/05/45/241160545.db2.gz BBWAXSZRVYIFMV-AATRIKPKSA-N -1 3 302.250 0.464 20 5 DCBDHM NC(=O)c1[n-]nnc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800523 241160552 /nfs/dbraw/zinc/16/05/52/241160552.db2.gz BBWAXSZRVYIFMV-AATRIKPKSA-N -1 3 302.250 0.464 20 5 DCBDHM NC(=O)c1n[n-]nc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800523 241160557 /nfs/dbraw/zinc/16/05/57/241160557.db2.gz BBWAXSZRVYIFMV-AATRIKPKSA-N -1 3 302.250 0.464 20 5 DCBDHM COCCn1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000275010373 212072689 /nfs/dbraw/zinc/07/26/89/212072689.db2.gz PUSDDRDYJBYVRI-UHFFFAOYSA-N -1 3 307.266 0.791 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299080002 533063549 /nfs/dbraw/zinc/06/35/49/533063549.db2.gz HBIYLXZEOFYAJX-SECBINFHSA-N -1 3 316.335 0.918 20 5 DCBDHM CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])OCCO1 ZINC000271055220 395834326 /nfs/dbraw/zinc/83/43/26/395834326.db2.gz ASKGMWBIJMQEOW-UHFFFAOYSA-N -1 3 302.308 0.636 20 5 DCBDHM COc1cc(CCNC(=O)c2c[n-]nn2)c([N+](=O)[O-])cc1OC ZINC000047610858 395797042 /nfs/dbraw/zinc/79/70/42/395797042.db2.gz XEAXZSRBCMYZGT-UHFFFAOYSA-N -1 3 321.293 0.703 20 5 DCBDHM COc1cc(CCNC(=O)c2cnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000047610858 395797043 /nfs/dbraw/zinc/79/70/43/395797043.db2.gz XEAXZSRBCMYZGT-UHFFFAOYSA-N -1 3 321.293 0.703 20 5 DCBDHM COc1cc(CCNC(=O)c2cn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000047610858 395797045 /nfs/dbraw/zinc/79/70/45/395797045.db2.gz XEAXZSRBCMYZGT-UHFFFAOYSA-N -1 3 321.293 0.703 20 5 DCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c1 ZINC000230874616 395882410 /nfs/dbraw/zinc/88/24/10/395882410.db2.gz PGCRFLDMIMXGAR-MRVPVSSYSA-N -1 3 314.241 0.796 20 5 DCBDHM Cn1nnnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000276763800 396026881 /nfs/dbraw/zinc/02/68/81/396026881.db2.gz XLCKFLVNGBZYCF-UHFFFAOYSA-N -1 3 312.236 0.527 20 5 DCBDHM Cc1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000068195360 396049089 /nfs/dbraw/zinc/04/90/89/396049089.db2.gz QLOKXPPYNDZZKA-SECBINFHSA-N -1 3 306.278 0.830 20 5 DCBDHM CN1CC[C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000277988668 396099399 /nfs/dbraw/zinc/09/93/99/396099399.db2.gz GQEUXPVHFNQHSL-BXKDBHETSA-N -1 3 306.322 0.862 20 5 DCBDHM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000183203547 396264505 /nfs/dbraw/zinc/26/45/05/396264505.db2.gz OZULSCCDEWBNPM-ZDVLTJLQSA-N -1 3 324.355 0.779 20 5 DCBDHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1C ZINC000282999957 396297555 /nfs/dbraw/zinc/29/75/55/396297555.db2.gz KTDHRQIMRQLRPY-VIFPVBQESA-N -1 3 313.335 0.811 20 5 DCBDHM CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265344236 396308454 /nfs/dbraw/zinc/30/84/54/396308454.db2.gz ZIEITESHUGBACL-UHFFFAOYSA-N -1 3 316.339 0.192 20 5 DCBDHM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000187106826 396363790 /nfs/dbraw/zinc/36/37/90/396363790.db2.gz SPQUQBXOBGUEIQ-SNVBAGLBSA-N -1 3 323.353 0.061 20 5 DCBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(N(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000286012229 396369002 /nfs/dbraw/zinc/36/90/02/396369002.db2.gz NNMANWHTKQFRHW-UHFFFAOYSA-N -1 3 308.302 0.707 20 5 DCBDHM O=C(c1[n-]nc2ccc([N+](=O)[O-])cc21)N1CCCn2nnnc21 ZINC000294147216 396656202 /nfs/dbraw/zinc/65/62/02/396656202.db2.gz AVYQIPQJRRYDEK-UHFFFAOYSA-N -1 3 314.265 0.508 20 5 DCBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCCn2nnnc21 ZINC000294147216 396656207 /nfs/dbraw/zinc/65/62/07/396656207.db2.gz AVYQIPQJRRYDEK-UHFFFAOYSA-N -1 3 314.265 0.508 20 5 DCBDHM CN(C)C(=O)[C@H]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596186906 396728621 /nfs/dbraw/zinc/72/86/21/396728621.db2.gz YDGUYPXFJWOHMR-WCBMZHEXSA-N -1 3 310.310 0.743 20 5 DCBDHM O=c1[n-]ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596111724 396718357 /nfs/dbraw/zinc/71/83/57/396718357.db2.gz BQBGZQOUOMGILC-PWSUYJOCSA-N -1 3 308.338 0.731 20 5 DCBDHM C[C@H]1C[C@@H](N2CCOCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231947 396739834 /nfs/dbraw/zinc/73/98/34/396739834.db2.gz NEPHJPNTRRSPFJ-WDEREUQCSA-N -1 3 308.338 0.995 20 5 DCBDHM CC(C)(C(=O)[O-])N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000600675079 396912899 /nfs/dbraw/zinc/91/28/99/396912899.db2.gz RQCGOZTXIQQHSG-UHFFFAOYSA-N -1 3 311.342 0.272 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000377511365 397090425 /nfs/dbraw/zinc/09/04/25/397090425.db2.gz JJPSFTVWJGZJMU-MWLCHTKSSA-N -1 3 322.321 0.288 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccnn1 ZINC000619499888 397140325 /nfs/dbraw/zinc/14/03/25/397140325.db2.gz DEBXRRUNBXYDGX-UHFFFAOYSA-N -1 3 324.318 0.872 20 5 DCBDHM CCCNC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122858673 158224996 /nfs/dbraw/zinc/22/49/96/158224996.db2.gz AIUYZHMNGHKYAU-UHFFFAOYSA-N -1 3 321.380 0.769 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)CN)cc1[N+](=O)[O-] ZINC000162652280 158360928 /nfs/dbraw/zinc/36/09/28/158360928.db2.gz KNEVRXGFTVLGRZ-UHFFFAOYSA-N -1 3 309.294 0.776 20 5 DCBDHM CCn1ncnc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000360359052 159267196 /nfs/dbraw/zinc/26/71/96/159267196.db2.gz DKUKOFYASULZCQ-UHFFFAOYSA-N -1 3 311.323 0.685 20 5 DCBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000070780128 286910516 /nfs/dbraw/zinc/91/05/16/286910516.db2.gz KCVUHICQUUKKAA-LLVKDONJSA-N -1 3 304.324 0.271 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)OC ZINC000342526123 415196740 /nfs/dbraw/zinc/19/67/40/415196740.db2.gz WWJKIMGHGAPSAR-QMMMGPOBSA-N -1 3 324.380 0.904 20 5 DCBDHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343470288 415610785 /nfs/dbraw/zinc/61/07/85/415610785.db2.gz RLAQXOYKOQIOTR-ZCFIWIBFSA-N -1 3 321.380 0.768 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000343490746 415617513 /nfs/dbraw/zinc/61/75/13/415617513.db2.gz AVQQBXQFMNAFNW-ZETCQYMHSA-N -1 3 319.364 0.522 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000343513433 415621901 /nfs/dbraw/zinc/62/19/01/415621901.db2.gz VPXUFFNKACQRDL-ZETCQYMHSA-N -1 3 319.364 0.474 20 5 DCBDHM O=C(NCCNc1ccncc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356342734 415901125 /nfs/dbraw/zinc/90/11/25/415901125.db2.gz OYNBFXAHQOYKEU-UHFFFAOYSA-N -1 3 302.290 0.959 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1ncccn1 ZINC000301315161 416082337 /nfs/dbraw/zinc/08/23/37/416082337.db2.gz LYIFIRHQFFXWQB-UHFFFAOYSA-N -1 3 323.334 0.775 20 5 DCBDHM COC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000340351426 416184345 /nfs/dbraw/zinc/18/43/45/416184345.db2.gz WDURBMILOHSPGD-SNVBAGLBSA-N -1 3 318.351 0.579 20 5 DCBDHM Cn1nncc1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340990845 416199914 /nfs/dbraw/zinc/19/99/14/416199914.db2.gz IBXMVFNVRRVZAN-UHFFFAOYSA-N -1 3 301.266 1.385 20 5 DCBDHM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000360487789 416392456 /nfs/dbraw/zinc/39/24/56/416392456.db2.gz AFSGDGHIQMCPHZ-LURJTMIESA-N -1 3 321.742 0.790 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(N)=O ZINC000360507820 416393571 /nfs/dbraw/zinc/39/35/71/416393571.db2.gz MCFOBUFCKVCASI-SSDOTTSWSA-N -1 3 317.323 0.146 20 5 DCBDHM Cc1n[nH]c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000540424176 416589324 /nfs/dbraw/zinc/58/93/24/416589324.db2.gz IBCMTHQNOXDIKR-SSDOTTSWSA-N -1 3 306.286 0.159 20 5 DCBDHM Cc1[nH]nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000540424176 416589326 /nfs/dbraw/zinc/58/93/26/416589326.db2.gz IBCMTHQNOXDIKR-SSDOTTSWSA-N -1 3 306.286 0.159 20 5 DCBDHM Cc1n[nH]c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000540424176 416589330 /nfs/dbraw/zinc/58/93/30/416589330.db2.gz IBCMTHQNOXDIKR-SSDOTTSWSA-N -1 3 306.286 0.159 20 5 DCBDHM Cc1[nH]nc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000540424176 416589332 /nfs/dbraw/zinc/58/93/32/416589332.db2.gz IBCMTHQNOXDIKR-SSDOTTSWSA-N -1 3 306.286 0.159 20 5 DCBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000444196461 416816701 /nfs/dbraw/zinc/81/67/01/416816701.db2.gz MTGOGSIRDGKHKU-ZCFIWIBFSA-N -1 3 319.726 0.415 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2c(C)cccc2[N+](=O)[O-])[n-]1 ZINC000446156348 416915570 /nfs/dbraw/zinc/91/55/70/416915570.db2.gz NAUPNDUALWSYKV-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000446156348 416915576 /nfs/dbraw/zinc/91/55/76/416915576.db2.gz NAUPNDUALWSYKV-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])n[n-]1 ZINC000446156348 416915579 /nfs/dbraw/zinc/91/55/79/416915579.db2.gz NAUPNDUALWSYKV-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000522980965 417070250 /nfs/dbraw/zinc/07/02/50/417070250.db2.gz ORWWBPGBNRAFPS-UHFFFAOYSA-N -1 3 312.307 0.675 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000524397193 417108285 /nfs/dbraw/zinc/10/82/85/417108285.db2.gz SRPGWSZBJPLHFJ-GFCCVEGCSA-N -1 3 304.306 0.766 20 5 DCBDHM NC(=O)c1nn[n-]c1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000362402167 262029713 /nfs/dbraw/zinc/02/97/13/262029713.db2.gz LIRYZMDJABLBBL-UHFFFAOYSA-N -1 3 319.281 0.253 20 5 DCBDHM NC(=O)c1[n-]nnc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000362402167 262029715 /nfs/dbraw/zinc/02/97/15/262029715.db2.gz LIRYZMDJABLBBL-UHFFFAOYSA-N -1 3 319.281 0.253 20 5 DCBDHM NC(=O)c1n[n-]nc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000362402167 262029717 /nfs/dbraw/zinc/02/97/17/262029717.db2.gz LIRYZMDJABLBBL-UHFFFAOYSA-N -1 3 319.281 0.253 20 5 DCBDHM NC(=O)CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000420706604 262381903 /nfs/dbraw/zinc/38/19/03/262381903.db2.gz QMVHGUYNGBQLBB-UHFFFAOYSA-N -1 3 313.335 0.529 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000530728829 287755939 /nfs/dbraw/zinc/75/59/39/287755939.db2.gz XKVYHTJPGDRLCT-SSDOTTSWSA-N -1 3 317.323 0.016 20 5 DCBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548621769 288160425 /nfs/dbraw/zinc/16/04/25/288160425.db2.gz BHAOZHBGISJDMB-SNVBAGLBSA-N -1 3 314.367 0.752 20 5 DCBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332599028 281016536 /nfs/dbraw/zinc/01/65/36/281016536.db2.gz HNAJKDUFLDHYLX-NSHDSACASA-N -1 3 318.289 0.279 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267820746 527088834 /nfs/dbraw/zinc/08/88/34/527088834.db2.gz GSRNHQLSGVWTOG-UHFFFAOYSA-N -1 3 308.254 0.248 20 5 DCBDHM COC(=O)CCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821661484 599448185 /nfs/dbraw/zinc/44/81/85/599448185.db2.gz LHJISTBJTNQOAL-UHFFFAOYSA-N -1 3 310.295 0.825 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1=O ZINC000736868933 598972404 /nfs/dbraw/zinc/97/24/04/598972404.db2.gz VUFRBEKWXZOQKE-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1=O ZINC000736868933 598972406 /nfs/dbraw/zinc/97/24/06/598972406.db2.gz VUFRBEKWXZOQKE-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000823647196 599037601 /nfs/dbraw/zinc/03/76/01/599037601.db2.gz HUBCWGDYLFYHFO-QMMMGPOBSA-N -1 3 305.298 0.379 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000823647196 599037603 /nfs/dbraw/zinc/03/76/03/599037603.db2.gz HUBCWGDYLFYHFO-QMMMGPOBSA-N -1 3 305.298 0.379 20 5 DCBDHM CO[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736962222 598552554 /nfs/dbraw/zinc/55/25/54/598552554.db2.gz OFGDWBJDQXFSCY-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM CO[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736962222 598552556 /nfs/dbraw/zinc/55/25/56/598552556.db2.gz OFGDWBJDQXFSCY-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM CN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1=O ZINC000736845931 599530954 /nfs/dbraw/zinc/53/09/54/599530954.db2.gz OXVQEZXUQHOSCB-ZETCQYMHSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1=O ZINC000736845931 599530956 /nfs/dbraw/zinc/53/09/56/599530956.db2.gz OXVQEZXUQHOSCB-ZETCQYMHSA-N -1 3 318.297 0.203 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821629781 607468191 /nfs/dbraw/zinc/46/81/91/607468191.db2.gz BKDVSTBYMPJJCH-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821629781 607468193 /nfs/dbraw/zinc/46/81/93/607468193.db2.gz BKDVSTBYMPJJCH-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000823648395 606802959 /nfs/dbraw/zinc/80/29/59/606802959.db2.gz VZYMBXBJZGOONY-ZDUSSCGKSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000823648395 606802961 /nfs/dbraw/zinc/80/29/61/606802961.db2.gz VZYMBXBJZGOONY-ZDUSSCGKSA-N -1 3 317.309 0.787 20 5 DCBDHM Cc1nn(Cc2cccc([N+](=O)[O-])c2)c(N)c1-c1nnn[n-]1 ZINC000822501068 607160378 /nfs/dbraw/zinc/16/03/78/607160378.db2.gz UGLIHRAQZUABMS-UHFFFAOYSA-N -1 3 300.282 0.910 20 5 DCBDHM Cc1nn(Cc2cccc([N+](=O)[O-])c2)c(N)c1-c1nn[n-]n1 ZINC000822501068 607160379 /nfs/dbraw/zinc/16/03/79/607160379.db2.gz UGLIHRAQZUABMS-UHFFFAOYSA-N -1 3 300.282 0.910 20 5 DCBDHM COCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(N)=O ZINC000826155052 608587807 /nfs/dbraw/zinc/58/78/07/608587807.db2.gz DWOTXTAPRHCASN-JTQLQIEISA-N -1 3 321.297 0.077 20 5 DCBDHM COCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(N)=O ZINC000826155052 608587809 /nfs/dbraw/zinc/58/78/09/608587809.db2.gz DWOTXTAPRHCASN-JTQLQIEISA-N -1 3 321.297 0.077 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824448111 609598199 /nfs/dbraw/zinc/59/81/99/609598199.db2.gz FWQWRSXQSJSWEP-WODJRTHDSA-N -1 3 310.339 0.954 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824448111 609598201 /nfs/dbraw/zinc/59/82/01/609598201.db2.gz FWQWRSXQSJSWEP-WODJRTHDSA-N -1 3 310.339 0.954 20 5 DCBDHM CCON(C)C(=O)CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000846063736 672291830 /nfs/dbraw/zinc/29/18/30/672291830.db2.gz XIZITRCWBGZHDV-UHFFFAOYSA-N -1 3 313.310 0.809 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001585163766 1166408830 /nfs/dbraw/zinc/40/88/30/1166408830.db2.gz RHYSKAYDMHANNF-NSHDSACASA-N -1 3 322.296 0.905 20 5 DCBDHM C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589996065 1166742526 /nfs/dbraw/zinc/74/25/26/1166742526.db2.gz GITCXAKXOSTVFQ-RNFRBKRXSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589996065 1166742531 /nfs/dbraw/zinc/74/25/31/1166742531.db2.gz GITCXAKXOSTVFQ-RNFRBKRXSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@@]1(C(N)=O)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590073844 1166766571 /nfs/dbraw/zinc/76/65/71/1166766571.db2.gz WHXWDXUKXMILGT-CYBMUJFWSA-N -1 3 317.309 0.477 20 5 DCBDHM C[C@@]1(C(N)=O)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590073844 1166766581 /nfs/dbraw/zinc/76/65/81/1166766581.db2.gz WHXWDXUKXMILGT-CYBMUJFWSA-N -1 3 317.309 0.477 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC001590109339 1166776041 /nfs/dbraw/zinc/77/60/41/1166776041.db2.gz UKONDLGMAUWZPN-SECBINFHSA-N -1 3 305.298 0.377 20 5 DCBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC001590109339 1166776047 /nfs/dbraw/zinc/77/60/47/1166776047.db2.gz UKONDLGMAUWZPN-SECBINFHSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@]1(O)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590150544 1166789585 /nfs/dbraw/zinc/78/95/85/1166789585.db2.gz RXUPSELATROCAV-ZDUSSCGKSA-N -1 3 319.325 0.911 20 5 DCBDHM C[C@]1(O)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590150544 1166789592 /nfs/dbraw/zinc/78/95/92/1166789592.db2.gz RXUPSELATROCAV-ZDUSSCGKSA-N -1 3 319.325 0.911 20 5 DCBDHM C[C@H]1C[C@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590193664 1166807155 /nfs/dbraw/zinc/80/71/55/1166807155.db2.gz QUHHTPCBFRTHDE-IUCAKERBSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1C[C@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590193664 1166807159 /nfs/dbraw/zinc/80/71/59/1166807159.db2.gz QUHHTPCBFRTHDE-IUCAKERBSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CCNC(=O)[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590276835 1166837978 /nfs/dbraw/zinc/83/79/78/1166837978.db2.gz FDXWKEAMVQLJDH-CPCISQLKSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@H]1CCNC(=O)[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590276835 1166837980 /nfs/dbraw/zinc/83/79/80/1166837980.db2.gz FDXWKEAMVQLJDH-CPCISQLKSA-N -1 3 317.309 0.711 20 5 DCBDHM CC[C@H](CCO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590438317 1166904401 /nfs/dbraw/zinc/90/44/01/1166904401.db2.gz ACANMIFZPWMOSE-SSDOTTSWSA-N -1 3 307.314 0.930 20 5 DCBDHM CC[C@H](CCO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590438317 1166904407 /nfs/dbraw/zinc/90/44/07/1166904407.db2.gz ACANMIFZPWMOSE-SSDOTTSWSA-N -1 3 307.314 0.930 20 5 DCBDHM CCc1ncn(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001590926553 1167053653 /nfs/dbraw/zinc/05/36/53/1167053653.db2.gz YYVAONZAEVIRMV-UHFFFAOYSA-N -1 3 300.282 0.977 20 5 DCBDHM CCc1ncn(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001590926553 1167053662 /nfs/dbraw/zinc/05/36/62/1167053662.db2.gz YYVAONZAEVIRMV-UHFFFAOYSA-N -1 3 300.282 0.977 20 5 DCBDHM CN(C)C(=O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591000704 1167070085 /nfs/dbraw/zinc/07/00/85/1167070085.db2.gz ZLTPMGRGASBYSO-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CN(C)C(=O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591000704 1167070090 /nfs/dbraw/zinc/07/00/90/1167070090.db2.gz ZLTPMGRGASBYSO-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CN1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001591171114 1167127831 /nfs/dbraw/zinc/12/78/31/1167127831.db2.gz KAQBBBIVVREIGG-ZETCQYMHSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001591171114 1167127838 /nfs/dbraw/zinc/12/78/38/1167127838.db2.gz KAQBBBIVVREIGG-ZETCQYMHSA-N -1 3 303.282 0.418 20 5 DCBDHM CO[C@@](C)(CO)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591318480 1167211809 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/nfs/dbraw/zinc/72/80/90/1169728090.db2.gz NQHPMAOAAULFMB-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM COC(=O)C1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604916018 1169740631 /nfs/dbraw/zinc/74/06/31/1169740631.db2.gz WTPQJGDMMUNMAL-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)C1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604916018 1169740640 /nfs/dbraw/zinc/74/06/40/1169740640.db2.gz WTPQJGDMMUNMAL-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM NC(=O)CC1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606411026 1170189953 /nfs/dbraw/zinc/18/99/53/1170189953.db2.gz RATOLIBFGXXHPY-UHFFFAOYSA-N -1 3 321.272 0.226 20 5 DCBDHM NC(=O)CC1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606411026 1170189954 /nfs/dbraw/zinc/18/99/54/1170189954.db2.gz RATOLIBFGXXHPY-UHFFFAOYSA-N -1 3 321.272 0.226 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(O)(CO)CC1 ZINC001607084213 1170383955 /nfs/dbraw/zinc/38/39/55/1170383955.db2.gz VEEXJHGSMHDRIN-UHFFFAOYSA-N -1 3 320.309 0.099 20 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1170915853 /nfs/dbraw/zinc/91/58/53/1170915853.db2.gz WDMWHYXGNJJPEC-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM O=[N+]([O-])c1ccc(NCC(F)(F)CO)c(-c2nnn[n-]2)c1 ZINC001609601951 1171039715 /nfs/dbraw/zinc/03/97/15/1171039715.db2.gz JISWYBFMUFJSTN-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=[N+]([O-])c1ccc(NCC(F)(F)CO)c(-c2nn[n-]n2)c1 ZINC001609601951 1171039722 /nfs/dbraw/zinc/03/97/22/1171039722.db2.gz JISWYBFMUFJSTN-UHFFFAOYSA-N -1 3 300.225 0.814 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001634143974 1171663077 /nfs/dbraw/zinc/66/30/77/1171663077.db2.gz WFFXBCRZRRJXPY-MRVPVSSYSA-N -1 3 308.269 0.976 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC2=O)c(F)cc1[N+](=O)[O-] ZINC001664037886 1174387431 /nfs/dbraw/zinc/38/74/31/1174387431.db2.gz WUYHDWKEKAGPHU-QMMMGPOBSA-N -1 3 318.282 0.636 20 5 DCBDHM Cc1cc(NCC=CCNC(=O)c2cn[n-]n2)ncc1[N+](=O)[O-] ZINC001107586631 752136014 /nfs/dbraw/zinc/13/60/14/752136014.db2.gz FXNWNXQAWVWKTG-IHWYPQMZSA-N -1 3 317.309 0.814 20 5 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DCBDHM Cn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(=O)[n-]c1=O ZINC000350720169 254324083 /nfs/dbraw/zinc/32/40/83/254324083.db2.gz NTGVNEPZBLQUBR-UHFFFAOYSA-N -1 3 318.289 0.367 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1cnccn1 ZINC000030336242 395702467 /nfs/dbraw/zinc/70/24/67/395702467.db2.gz HSNMSFZUZIMLMJ-UHFFFAOYSA-N -1 3 323.334 0.775 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]CCC[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000116901934 395849531 /nfs/dbraw/zinc/84/95/31/395849531.db2.gz PNOAGLUNZTVXLY-IBGZPJMESA-N -1 3 320.392 0.950 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119329177 395869933 /nfs/dbraw/zinc/86/99/33/395869933.db2.gz WFEGULNUYUYGKR-UHFFFAOYSA-N -1 3 315.351 0.626 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCCCO ZINC000228555154 395872015 /nfs/dbraw/zinc/87/20/15/395872015.db2.gz RXYXYUQGWFLNAI-UHFFFAOYSA-N -1 3 320.392 0.989 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCCO)c(F)c1 ZINC000052925251 395873710 /nfs/dbraw/zinc/87/37/10/395873710.db2.gz 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O=C(Nc1cccc(-c2nn[n-]n2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826456463 608109770 /nfs/dbraw/zinc/10/97/70/608109770.db2.gz FVFCNVRJLFDFQA-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824691283 609569292 /nfs/dbraw/zinc/56/92/92/609569292.db2.gz ZAHNFEYYTIDLER-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824691283 609569293 /nfs/dbraw/zinc/56/92/93/609569293.db2.gz ZAHNFEYYTIDLER-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000022018412 662488257 /nfs/dbraw/zinc/48/82/57/662488257.db2.gz HMLNVPGNSCUINW-UHFFFAOYSA-N -1 3 315.245 0.705 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N)[n-]1 ZINC000786992690 669345976 /nfs/dbraw/zinc/34/59/76/669345976.db2.gz LSDJOTXKRDSMMH-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N)n[n-]1 ZINC000786992690 669345978 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1166951625 /nfs/dbraw/zinc/95/16/25/1166951625.db2.gz NHPJSORSKJVKFI-UHFFFAOYSA-N -1 3 305.298 0.477 20 5 DCBDHM CCCN(CC(N)=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590623003 1166951631 /nfs/dbraw/zinc/95/16/31/1166951631.db2.gz NHPJSORSKJVKFI-UHFFFAOYSA-N -1 3 305.298 0.477 20 5 DCBDHM CN(C[C@H]1CCC[C@H]1O)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591055479 1167097765 /nfs/dbraw/zinc/09/77/65/1167097765.db2.gz HJZYUWZKNDMZOJ-LDYMZIIASA-N -1 3 319.325 0.767 20 5 DCBDHM CN(C[C@H]1CCC[C@H]1O)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591055479 1167097772 /nfs/dbraw/zinc/09/77/72/1167097772.db2.gz HJZYUWZKNDMZOJ-LDYMZIIASA-N -1 3 319.325 0.767 20 5 DCBDHM NC(=O)CC1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592726610 1167615891 /nfs/dbraw/zinc/61/58/91/1167615891.db2.gz ZBAMLHDSWHIYBK-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2Cc3c[nH]nc3C2)c1-c1nnn[n-]1 ZINC001592758339 1167635444 /nfs/dbraw/zinc/63/54/44/1167635444.db2.gz UMFSHOMNKDXMKH-UHFFFAOYSA-N -1 3 313.281 0.600 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2Cc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC001592758339 1167635447 /nfs/dbraw/zinc/63/54/47/1167635447.db2.gz UMFSHOMNKDXMKH-UHFFFAOYSA-N -1 3 313.281 0.600 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](CO)C1 ZINC001593471796 1167864372 /nfs/dbraw/zinc/86/43/72/1167864372.db2.gz YWCLNOFEECLSEL-QMMMGPOBSA-N -1 3 305.298 0.379 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](CO)C1 ZINC001593471796 1167864387 /nfs/dbraw/zinc/86/43/87/1167864387.db2.gz YWCLNOFEECLSEL-QMMMGPOBSA-N -1 3 305.298 0.379 20 5 DCBDHM O=C([O-])[C@H]1C[C@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001601769953 1168869272 /nfs/dbraw/zinc/86/92/72/1168869272.db2.gz UBBNDGQEAPYXCP-JQWIXIFHSA-N -1 3 310.306 0.741 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603571899 1169326759 /nfs/dbraw/zinc/32/67/59/1169326759.db2.gz KHYPWFDNYCPSFP-SGWXMTNESA-N -1 3 310.339 0.954 20 5 DCBDHM C[C@H]1C(=O)N(C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603830549 1169405882 /nfs/dbraw/zinc/40/58/82/1169405882.db2.gz KDSIFDWQDODUEH-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@H]1C(=O)N(C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603830549 1169405885 /nfs/dbraw/zinc/40/58/85/1169405885.db2.gz KDSIFDWQDODUEH-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC001603942088 1169445795 /nfs/dbraw/zinc/44/57/95/1169445795.db2.gz ZBKNIELSOBCGPX-SDBXPKJASA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC001603942088 1169445802 /nfs/dbraw/zinc/44/58/02/1169445802.db2.gz ZBKNIELSOBCGPX-SDBXPKJASA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1COCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603947739 1169447804 /nfs/dbraw/zinc/44/78/04/1169447804.db2.gz ILJDSBFIVUTITF-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM C[C@H]1COCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603947739 1169447824 /nfs/dbraw/zinc/44/78/24/1169447824.db2.gz ILJDSBFIVUTITF-MRVPVSSYSA-N -1 3 305.298 0.643 20 5 DCBDHM CNC(=O)C(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604872784 1169722508 /nfs/dbraw/zinc/72/25/08/1169722508.db2.gz WSXZOCBSWFLRAE-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CNC(=O)C(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604872784 1169722514 /nfs/dbraw/zinc/72/25/14/1169722514.db2.gz WSXZOCBSWFLRAE-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM COC[C@H](O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605059416 1169800424 /nfs/dbraw/zinc/80/04/24/1169800424.db2.gz NNOJVKLVOLSSRZ-MRVPVSSYSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@H](O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605059416 1169800434 /nfs/dbraw/zinc/80/04/34/1169800434.db2.gz NNOJVKLVOLSSRZ-MRVPVSSYSA-N -1 3 308.298 0.584 20 5 DCBDHM COCC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605080217 1169816624 /nfs/dbraw/zinc/81/66/24/1169816624.db2.gz XITGHYLLDMJAMF-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COCC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605080217 1169816637 /nfs/dbraw/zinc/81/66/37/1169816637.db2.gz XITGHYLLDMJAMF-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])C1 ZINC001606233579 1170129031 /nfs/dbraw/zinc/12/90/31/1170129031.db2.gz VCUYUUCARGFNJF-LBPRGKRZSA-N -1 3 321.333 0.612 20 5 DCBDHM Cn1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001606250505 1170137463 /nfs/dbraw/zinc/13/74/63/1170137463.db2.gz RRGVRIOWXYMGBL-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Cn1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001606250505 1170137464 /nfs/dbraw/zinc/13/74/64/1170137464.db2.gz RRGVRIOWXYMGBL-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM NC(=O)CC1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001606410639 1170189957 /nfs/dbraw/zinc/18/99/57/1170189957.db2.gz JHIWGKFCRBCHQR-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)CC1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001606410639 1170189959 /nfs/dbraw/zinc/18/99/59/1170189959.db2.gz JHIWGKFCRBCHQR-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@]2(CCOC2)C1 ZINC001607079683 1170381649 /nfs/dbraw/zinc/38/16/49/1170381649.db2.gz CLOGTIADCXIHQW-CYBMUJFWSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@]2(CCOC2)C1 ZINC001607079683 1170381657 /nfs/dbraw/zinc/38/16/57/1170381657.db2.gz CLOGTIADCXIHQW-CYBMUJFWSA-N -1 3 317.309 0.787 20 5 DCBDHM O=C([O-])[C@@H]1C[C@@H](O)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001608603166 1170714334 /nfs/dbraw/zinc/71/43/34/1170714334.db2.gz YVDMXKZGXFSXDO-RTXFEEFZSA-N -1 3 310.306 0.396 20 5 DCBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC001609136349 1170821690 /nfs/dbraw/zinc/82/16/90/1170821690.db2.gz MIYHLNDDMDOLRM-DTWKUNHWSA-N -1 3 321.293 0.842 20 5 DCBDHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001609202441 1170866319 /nfs/dbraw/zinc/86/63/19/1170866319.db2.gz HYMGXYAEVQBQRH-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM COC[C@@](C)(O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609316882 1170932190 /nfs/dbraw/zinc/93/21/90/1170932190.db2.gz RWTBQPKXNCOCGJ-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@H](O)C3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001609603599 1171041127 /nfs/dbraw/zinc/04/11/27/1171041127.db2.gz PSPHSODEJLWJKB-VIFPVBQESA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@H](O)C3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001609603599 1171041135 /nfs/dbraw/zinc/04/11/35/1171041135.db2.gz PSPHSODEJLWJKB-VIFPVBQESA-N -1 3 303.282 0.131 20 5 DCBDHM CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C(=O)[O-])C1 ZINC001610131648 1171166118 /nfs/dbraw/zinc/16/61/18/1171166118.db2.gz CDXULHUAMOHCCJ-GFCCVEGCSA-N -1 3 321.333 0.612 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C(=O)[O-])C1 ZINC001610136950 1171169684 /nfs/dbraw/zinc/16/96/84/1171169684.db2.gz CPOZSAGLJPOYQQ-MRVPVSSYSA-N -1 3 312.301 0.769 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C(=O)[O-])C1 ZINC001610136951 1171170292 /nfs/dbraw/zinc/17/02/92/1171170292.db2.gz CPOZSAGLJPOYQQ-QMMMGPOBSA-N -1 3 312.301 0.769 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001634143975 1171662506 /nfs/dbraw/zinc/66/25/06/1171662506.db2.gz WFFXBCRZRRJXPY-QMMMGPOBSA-N -1 3 308.269 0.976 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640594369 1171884725 /nfs/dbraw/zinc/88/47/25/1171884725.db2.gz FDJFXWYJAUFOJG-VIFPVBQESA-N -1 3 320.309 0.545 20 5 DCBDHM O=c1[n-]c(Cn2cc([N+](=O)[O-])cc(F)c2=O)nc2c1COCC2 ZINC001656672215 1173874899 /nfs/dbraw/zinc/87/48/99/1173874899.db2.gz KOYGWEJIRIKGJK-UHFFFAOYSA-N -1 3 322.252 0.512 20 5 DCBDHM COc1c([O-])ccc(CN2CCO[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC001660011359 1173938606 /nfs/dbraw/zinc/93/86/06/1173938606.db2.gz PMTKNEFIFZNGIL-JOYOIKCWSA-N -1 3 312.322 0.891 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CC[S@@](C)=O)c([N+](=O)[O-])s1 ZINC001660460040 1173994842 /nfs/dbraw/zinc/99/48/42/1173994842.db2.gz SVIRAJLVCCMJQT-QGZVFWFLSA-N -1 3 312.394 0.622 20 5 DCBDHM CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001663768802 1174350819 /nfs/dbraw/zinc/35/08/19/1174350819.db2.gz JGAJEZGQQAGMCO-BDAKNGLRSA-N -1 3 303.340 0.818 20 5 DCBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cn[nH]n1 ZINC001106992087 751717473 /nfs/dbraw/zinc/71/74/73/751717473.db2.gz FWYGKKVEDGQUNG-UHFFFAOYSA-N -1 3 321.297 0.388 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(=O)Nc2cnccc21 ZINC001148121902 767924866 /nfs/dbraw/zinc/92/48/66/767924866.db2.gz QTTPLICCJWZOBO-UHFFFAOYSA-N -1 3 315.245 0.689 20 5 DCBDHM CN(CCNC(=O)c1ccccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099896827 768086815 /nfs/dbraw/zinc/08/68/15/768086815.db2.gz KJCIIPXSSNDXRZ-UHFFFAOYSA-N -1 3 317.305 0.957 20 5 DCBDHM CN(CCNC(=O)C1=CCOCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100072879 763282454 /nfs/dbraw/zinc/28/24/54/763282454.db2.gz HZKYXNVOFRYGGZ-UHFFFAOYSA-N -1 3 322.321 0.595 20 5 DCBDHM CCN(CCNC(=O)c1cn[nH]c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100454216 763587708 /nfs/dbraw/zinc/58/77/08/763587708.db2.gz LEUXMOKRWGXSHX-UHFFFAOYSA-N -1 3 320.309 0.675 20 5 DCBDHM C[C@@H](O)c1cn(C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nn1 ZINC001118590790 766367640 /nfs/dbraw/zinc/36/76/40/766367640.db2.gz COBMVLDWMPSCCY-SSDOTTSWSA-N -1 3 306.282 0.402 20 5 DCBDHM CS(=O)(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001118592984 766368354 /nfs/dbraw/zinc/36/83/54/766368354.db2.gz OUZTYUCPFDOFNO-QMMMGPOBSA-N -1 3 301.324 0.709 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])cc([N-]c2nccnc2CN)n1 ZINC001171444871 769065633 /nfs/dbraw/zinc/06/56/33/769065633.db2.gz QYJHIATUQXRDMB-UHFFFAOYSA-N -1 3 304.266 0.769 20 5 DCBDHM COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CO[N-]C2=O)c1F ZINC001173176277 769555281 /nfs/dbraw/zinc/55/52/81/769555281.db2.gz FRSMESFHGFGVHY-IONNQARKSA-N -1 3 313.285 0.693 20 5 DCBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1ncc([N+](=O)[O-])cc1F ZINC001155444619 770506199 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318.293 0.180 20 5 DCBDHM C[C@H](CC(N)=O)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592451537 978136388 /nfs/dbraw/zinc/13/63/88/978136388.db2.gz FLJATRPUUVDLNB-MRVPVSSYSA-N -1 3 311.294 0.412 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001472895877 1016868990 /nfs/dbraw/zinc/86/89/90/1016868990.db2.gz LLYWXMHXTMRDDK-MRVPVSSYSA-N -1 3 305.298 0.515 20 5 DCBDHM O=C([O-])CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001606201344 1170109287 /nfs/dbraw/zinc/10/92/87/1170109287.db2.gz KLRFKBCLAHQUSO-UHFFFAOYSA-N -1 3 302.308 0.433 20 5 DCBDHM COCC(COC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451886271 536798296 /nfs/dbraw/zinc/79/82/96/536798296.db2.gz CUYLCPQYNZUWSX-UHFFFAOYSA-N -1 3 318.351 0.843 20 5 DCBDHM O=C([N-]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000280113370 215385325 /nfs/dbraw/zinc/38/53/25/215385325.db2.gz FHLNWDPNGOHNQY-UHFFFAOYSA-N -1 3 308.262 0.750 20 5 DCBDHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000106447198 194216384 /nfs/dbraw/zinc/21/63/84/194216384.db2.gz XVCIRQMLDWJGLZ-SNVBAGLBSA-N -1 3 315.351 0.773 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345116305 253885892 /nfs/dbraw/zinc/88/58/92/253885892.db2.gz CGUFTMKZWYZJCX-UHFFFAOYSA-N -1 3 320.309 0.610 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccco2)n1 ZINC000347162057 254134920 /nfs/dbraw/zinc/13/49/20/254134920.db2.gz UVFSRYGONWVKOT-UHFFFAOYSA-N -1 3 303.238 0.959 20 5 DCBDHM CCC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000285344762 131159623 /nfs/dbraw/zinc/15/96/23/131159623.db2.gz KVSLMHSFAPTQIY-JTQLQIEISA-N -1 3 315.351 0.668 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCO)cc1C ZINC000052925259 395873683 /nfs/dbraw/zinc/87/36/83/395873683.db2.gz BAWAFWYSPPETTB-UHFFFAOYSA-N -1 3 318.351 0.499 20 5 DCBDHM CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000287966323 396434029 /nfs/dbraw/zinc/43/40/29/396434029.db2.gz HZGUXEZGRNSRBA-UHFFFAOYSA-N -1 3 323.353 0.063 20 5 DCBDHM O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000288398682 396446455 /nfs/dbraw/zinc/44/64/55/396446455.db2.gz FXVKXMLWYKUUAL-NSHDSACASA-N -1 3 323.349 0.877 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C/C=C\CO ZINC000594819619 396521667 /nfs/dbraw/zinc/52/16/67/396521667.db2.gz MAVORXIYBKVYJB-IHWYPQMZSA-N -1 3 302.308 0.430 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373110615 396567139 /nfs/dbraw/zinc/56/71/39/396567139.db2.gz IWWKJUDCJJJXFA-WDEREUQCSA-N -1 3 322.321 0.288 20 5 DCBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863709 396695861 /nfs/dbraw/zinc/69/58/61/396695861.db2.gz UNGAPFRHKFXQBP-GHMZBOCLSA-N -1 3 321.333 0.582 20 5 DCBDHM CNS(=O)(=O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596127468 396721671 /nfs/dbraw/zinc/72/16/71/396721671.db2.gz XBYCBYWVSHFDGE-MRVPVSSYSA-N -1 3 316.339 0.213 20 5 DCBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000596224277 396736540 /nfs/dbraw/zinc/73/65/40/396736540.db2.gz YOTKKUMITIQINE-SNVBAGLBSA-N -1 3 310.354 0.977 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619482921 397136594 /nfs/dbraw/zinc/13/65/94/397136594.db2.gz SSNQKRRTDLTDOB-UHFFFAOYSA-N -1 3 318.307 0.445 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)n1 ZINC000592969421 397308888 /nfs/dbraw/zinc/30/88/88/397308888.db2.gz LGBGIPOMVMZSIE-SNVBAGLBSA-N -1 3 324.337 0.947 20 5 DCBDHM NC(=O)[C@@H]1CCCN1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599131334 397345363 /nfs/dbraw/zinc/34/53/63/397345363.db2.gz UVSKPYQZVHPGEH-JTQLQIEISA-N -1 3 309.326 0.447 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599936738 397544291 /nfs/dbraw/zinc/54/42/91/397544291.db2.gz BNNLGJUUQSGJGQ-VXGBXAGGSA-N -1 3 321.333 0.582 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342493945 415191746 /nfs/dbraw/zinc/19/17/46/415191746.db2.gz SHNBVWANSNKHEO-RXMQYKEDSA-N -1 3 308.337 0.805 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000280133904 415520024 /nfs/dbraw/zinc/52/00/24/415520024.db2.gz DQWGIEJZVBIEPV-NSHDSACASA-N -1 3 318.351 0.064 20 5 DCBDHM Cc1ncc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c(=O)[n-]1 ZINC000345173906 416056872 /nfs/dbraw/zinc/05/68/72/416056872.db2.gz WOHREMRTEAXWDS-UHFFFAOYSA-N -1 3 304.266 0.537 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C[S@@](C)=O ZINC000183200830 416238498 /nfs/dbraw/zinc/23/84/98/416238498.db2.gz AQQUXKOYXZPKBD-AYLIAGHASA-N -1 3 320.392 0.949 20 5 DCBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000532829219 416459862 /nfs/dbraw/zinc/45/98/62/416459862.db2.gz UIGFFHFCVWUMJK-MRVPVSSYSA-N -1 3 322.364 0.306 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000541187751 416605260 /nfs/dbraw/zinc/60/52/60/416605260.db2.gz VWZBTVIOPWCQGG-RXMQYKEDSA-N -1 3 307.353 0.606 20 5 DCBDHM COC[C@@H](C)n1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445210233 416889732 /nfs/dbraw/zinc/88/97/32/416889732.db2.gz HOMHPFANFQYERJ-MRVPVSSYSA-N -1 3 321.293 1.352 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1 ZINC000427610007 416831151 /nfs/dbraw/zinc/83/11/51/416831151.db2.gz SBXWVTBCNKEARF-UHFFFAOYSA-N -1 3 308.254 0.573 20 5 DCBDHM Nc1nccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1[N+](=O)[O-] ZINC000569116266 417216538 /nfs/dbraw/zinc/21/65/38/417216538.db2.gz FMDOYYGRXZMEAG-SECBINFHSA-N -1 3 318.293 0.821 20 5 DCBDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000576513727 341850058 /nfs/dbraw/zinc/85/00/58/341850058.db2.gz CWWBFIOIMMIDDG-VXNVDRBHSA-N -1 3 322.364 0.657 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCn2ccnc2)c(-c2nnn[n-]2)c1 ZINC000823651458 599255486 /nfs/dbraw/zinc/25/54/86/599255486.db2.gz KLRKRKCODPAPMZ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCn2ccnc2)c(-c2nn[n-]n2)c1 ZINC000823651458 599255489 /nfs/dbraw/zinc/25/54/89/599255489.db2.gz KLRKRKCODPAPMZ-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM C[C@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736142304 598679842 /nfs/dbraw/zinc/67/98/42/598679842.db2.gz DRYFSGJSASRKSS-QMMMGPOBSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736142304 598679844 /nfs/dbraw/zinc/67/98/44/598679844.db2.gz DRYFSGJSASRKSS-QMMMGPOBSA-N -1 3 319.325 0.767 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737986190 598803923 /nfs/dbraw/zinc/80/39/23/598803923.db2.gz DQAXYUZFTIFTCV-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737986190 598803924 /nfs/dbraw/zinc/80/39/24/598803924.db2.gz DQAXYUZFTIFTCV-UHFFFAOYSA-N -1 3 315.253 0.005 20 5 DCBDHM COC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000821684809 599587539 /nfs/dbraw/zinc/58/75/39/599587539.db2.gz LEGJTJABPCFMFU-VIFPVBQESA-N -1 3 321.297 0.022 20 5 DCBDHM COC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000821684809 599587540 /nfs/dbraw/zinc/58/75/40/599587540.db2.gz LEGJTJABPCFMFU-VIFPVBQESA-N -1 3 321.297 0.022 20 5 DCBDHM COCCN(CCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821689579 606164856 /nfs/dbraw/zinc/16/48/56/606164856.db2.gz DASLKOVEBRCGPN-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM COCCN(CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821689579 606164858 /nfs/dbraw/zinc/16/48/58/606164858.db2.gz DASLKOVEBRCGPN-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM CC(C)NC(=O)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820132836 606645406 /nfs/dbraw/zinc/64/54/06/606645406.db2.gz LLXSJDMOVKICSS-UHFFFAOYSA-N -1 3 319.325 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCOCCO ZINC000826497266 609581643 /nfs/dbraw/zinc/58/16/43/609581643.db2.gz ADPKTOSJQLQHCQ-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCOCCO ZINC000826497266 609581645 /nfs/dbraw/zinc/58/16/45/609581645.db2.gz ADPKTOSJQLQHCQ-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM CC1(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)OCCO1 ZINC000768547580 668614637 /nfs/dbraw/zinc/61/46/37/668614637.db2.gz UEPXLHYMPOXYHD-UHFFFAOYSA-N -1 3 316.335 0.777 20 5 DCBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000770456685 668694651 /nfs/dbraw/zinc/69/46/51/668694651.db2.gz DFURZCPPFUYVLQ-UHFFFAOYSA-N -1 3 308.210 0.882 20 5 DCBDHM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849387454 670786120 /nfs/dbraw/zinc/78/61/20/670786120.db2.gz MGSAGCNWYLUWDB-JTQLQIEISA-N -1 3 314.367 0.752 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)nc1 ZINC000849449187 670802534 /nfs/dbraw/zinc/80/25/34/670802534.db2.gz YKOPGLVOAAYXDR-VIFPVBQESA-N -1 3 313.335 0.980 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCOCC3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826500793 671490103 /nfs/dbraw/zinc/49/01/03/671490103.db2.gz MKVBWWPKDBBMQV-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCOCC3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826500793 671490105 /nfs/dbraw/zinc/49/01/05/671490105.db2.gz MKVBWWPKDBBMQV-UHFFFAOYSA-N -1 3 317.309 0.787 20 5 DCBDHM CC(C)OC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845850869 672278670 /nfs/dbraw/zinc/27/86/70/672278670.db2.gz OQOPKNJEJWPVNM-UHFFFAOYSA-N -1 3 303.296 0.220 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1Cc2cncn2C1 ZINC001582802485 1166086199 /nfs/dbraw/zinc/08/61/99/1166086199.db2.gz WAOLVKXKYSNYJT-SSDOTTSWSA-N -1 3 313.281 0.403 20 5 DCBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1Cc2cncn2C1 ZINC001582802485 1166086202 /nfs/dbraw/zinc/08/62/02/1166086202.db2.gz WAOLVKXKYSNYJT-SSDOTTSWSA-N -1 3 313.281 0.403 20 5 DCBDHM C[C@H](O)[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589997001 1166742471 /nfs/dbraw/zinc/74/24/71/1166742471.db2.gz VGSACSUYTYNJJU-UFBFGSQYSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H](O)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589997001 1166742475 /nfs/dbraw/zinc/74/24/75/1166742475.db2.gz VGSACSUYTYNJJU-UFBFGSQYSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC(=O)N1 ZINC001590134317 1166786249 /nfs/dbraw/zinc/78/62/49/1166786249.db2.gz VNQFCJXUHUVWLF-CYBMUJFWSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC(=O)N1 ZINC001590134317 1166786255 /nfs/dbraw/zinc/78/62/55/1166786255.db2.gz VNQFCJXUHUVWLF-CYBMUJFWSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@@H]1C(=O)N(C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590163646 1166792212 /nfs/dbraw/zinc/79/22/12/1166792212.db2.gz KRWCGKOCSPSTOF-MRVPVSSYSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@@H]1C(=O)N(C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590163646 1166792217 /nfs/dbraw/zinc/79/22/17/1166792217.db2.gz KRWCGKOCSPSTOF-MRVPVSSYSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001590275622 1166837109 /nfs/dbraw/zinc/83/71/09/1166837109.db2.gz CWQANRKSMSLFIY-MRVPVSSYSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001590275622 1166837111 /nfs/dbraw/zinc/83/71/11/1166837111.db2.gz CWQANRKSMSLFIY-MRVPVSSYSA-N -1 3 305.298 0.785 20 5 DCBDHM CN(CC1(CO)CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591053501 1167095220 /nfs/dbraw/zinc/09/52/20/1167095220.db2.gz SLTPAUPWRLTYNY-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM CN(CC1(CO)CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591053501 1167095225 /nfs/dbraw/zinc/09/52/25/1167095225.db2.gz SLTPAUPWRLTYNY-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM CN1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001591194353 1167146206 /nfs/dbraw/zinc/14/62/06/1167146206.db2.gz XFXPDPCPCXCJQB-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM CN1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O ZINC001591194353 1167146210 /nfs/dbraw/zinc/14/62/10/1167146210.db2.gz XFXPDPCPCXCJQB-UHFFFAOYSA-N -1 3 303.282 0.053 20 5 DCBDHM CNC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591201416 1167149542 /nfs/dbraw/zinc/14/95/42/1167149542.db2.gz CUTUUGVAJYIXSZ-SECBINFHSA-N -1 3 317.309 0.347 20 5 DCBDHM CNC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591201416 1167149544 /nfs/dbraw/zinc/14/95/44/1167149544.db2.gz CUTUUGVAJYIXSZ-SECBINFHSA-N -1 3 317.309 0.347 20 5 DCBDHM COC(OC)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591335350 1167219890 /nfs/dbraw/zinc/21/98/90/1167219890.db2.gz UNEKZHRIXBMIAU-ZCFIWIBFSA-N -1 3 309.286 0.589 20 5 DCBDHM COC(OC)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591335350 1167219898 /nfs/dbraw/zinc/21/98/98/1167219898.db2.gz UNEKZHRIXBMIAU-ZCFIWIBFSA-N -1 3 309.286 0.589 20 5 DCBDHM CO[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1OC ZINC001591472613 1167303450 /nfs/dbraw/zinc/30/34/50/1167303450.db2.gz AEKFOBLADHQQQY-AOOOYVTPSA-N -1 3 321.297 0.020 20 5 DCBDHM CO[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1OC ZINC001591472613 1167303457 /nfs/dbraw/zinc/30/34/57/1167303457.db2.gz AEKFOBLADHQQQY-AOOOYVTPSA-N -1 3 321.297 0.020 20 5 DCBDHM CSC[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591696223 1167356181 /nfs/dbraw/zinc/35/61/81/1167356181.db2.gz QEQXARNTXZNFAY-ZETCQYMHSA-N -1 3 311.323 0.878 20 5 DCBDHM CSC[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591696223 1167356184 /nfs/dbraw/zinc/35/61/84/1167356184.db2.gz QEQXARNTXZNFAY-ZETCQYMHSA-N -1 3 311.323 0.878 20 5 DCBDHM Cc1nn(C)cc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592435989 1167522637 /nfs/dbraw/zinc/52/26/37/1167522637.db2.gz KRPUUWXPBUHJSY-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1nn(C)cc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592435989 1167522643 /nfs/dbraw/zinc/52/26/43/1167522643.db2.gz KRPUUWXPBUHJSY-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001592442793 1167525172 /nfs/dbraw/zinc/52/51/72/1167525172.db2.gz BARVXLCQJSINFJ-UHFFFAOYSA-N -1 3 303.242 0.473 20 5 DCBDHM Cc1nnc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001592442793 1167525174 /nfs/dbraw/zinc/52/51/74/1167525174.db2.gz BARVXLCQJSINFJ-UHFFFAOYSA-N -1 3 303.242 0.473 20 5 DCBDHM Cn1ncc2c1CN(c1ncc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001592603296 1167582753 /nfs/dbraw/zinc/58/27/53/1167582753.db2.gz NNPYABBLHUAJCI-UHFFFAOYSA-N -1 3 313.281 0.424 20 5 DCBDHM Cn1ncc2c1CN(c1ncc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001592603296 1167582756 /nfs/dbraw/zinc/58/27/56/1167582756.db2.gz NNPYABBLHUAJCI-UHFFFAOYSA-N -1 3 313.281 0.424 20 5 DCBDHM NC(CCO)=NOCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592738582 1167623597 /nfs/dbraw/zinc/62/35/97/1167623597.db2.gz CJRAHAWSEBSVDH-UHFFFAOYSA-N -1 3 307.270 0.156 20 5 DCBDHM NC(CCO)=NOCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592738582 1167623600 /nfs/dbraw/zinc/62/36/00/1167623600.db2.gz CJRAHAWSEBSVDH-UHFFFAOYSA-N -1 3 307.270 0.156 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC3(C2)CCOC3)c1-c1nnn[n-]1 ZINC001592757226 1167633782 /nfs/dbraw/zinc/63/37/82/1167633782.db2.gz OANUIVJUEMCZKC-UHFFFAOYSA-N -1 3 317.309 0.584 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC3(C2)CCOC3)c1-c1nn[n-]n1 ZINC001592757226 1167633785 /nfs/dbraw/zinc/63/37/85/1167633785.db2.gz OANUIVJUEMCZKC-UHFFFAOYSA-N -1 3 317.309 0.584 20 5 DCBDHM O=C(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)N1CCCC1 ZINC001592875091 1167653544 /nfs/dbraw/zinc/65/35/44/1167653544.db2.gz YDBSVKKGKBFOEQ-UHFFFAOYSA-N -1 3 317.309 0.809 20 5 DCBDHM O=C1OC[C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@@H]12 ZINC001593413794 1167824308 /nfs/dbraw/zinc/82/43/08/1167824308.db2.gz ZXTAZTSFJDXVQE-RKDXNWHRSA-N -1 3 316.277 0.384 20 5 DCBDHM O=C1OC[C@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@@H]12 ZINC001593413794 1167824320 /nfs/dbraw/zinc/82/43/20/1167824320.db2.gz ZXTAZTSFJDXVQE-RKDXNWHRSA-N -1 3 316.277 0.384 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(n2cncn2)C1 ZINC001593468639 1167857081 /nfs/dbraw/zinc/85/70/81/1167857081.db2.gz QLDUWXCTAFRZOS-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(n2cncn2)C1 ZINC001593468639 1167857085 /nfs/dbraw/zinc/85/70/85/1167857085.db2.gz QLDUWXCTAFRZOS-UHFFFAOYSA-N -1 3 313.281 0.428 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCn1ccnn1 ZINC001593468174 1167857784 /nfs/dbraw/zinc/85/77/84/1167857784.db2.gz IPZRXGSNPWNXQF-UHFFFAOYSA-N -1 3 319.260 0.618 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCn1ccnn1 ZINC001593468174 1167857790 /nfs/dbraw/zinc/85/77/90/1167857790.db2.gz IPZRXGSNPWNXQF-UHFFFAOYSA-N -1 3 319.260 0.618 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2C[C@]2(CO)C1 ZINC001593469027 1167858779 /nfs/dbraw/zinc/85/87/79/1167858779.db2.gz KDEVMIZSZMVRJC-WPPNPWJKSA-N -1 3 320.284 0.733 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2C[C@]2(CO)C1 ZINC001593469027 1167858785 /nfs/dbraw/zinc/85/87/85/1167858785.db2.gz KDEVMIZSZMVRJC-WPPNPWJKSA-N -1 3 320.284 0.733 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1COCCO1 ZINC001593475749 1167865211 /nfs/dbraw/zinc/86/52/11/1167865211.db2.gz SUGGQPQSMCQAEG-VIFPVBQESA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1COCCO1 ZINC001593475749 1167865220 /nfs/dbraw/zinc/86/52/20/1167865220.db2.gz SUGGQPQSMCQAEG-VIFPVBQESA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC[C@@H](O)C(F)F)c(-c2nnn[n-]2)c1 ZINC001593485103 1167868968 /nfs/dbraw/zinc/86/89/68/1167868968.db2.gz RNGCHZMZQVXQES-SSDOTTSWSA-N -1 3 315.240 0.598 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC[C@@H](O)C(F)F)c(-c2nn[n-]n2)c1 ZINC001593485103 1167868973 /nfs/dbraw/zinc/86/89/73/1167868973.db2.gz RNGCHZMZQVXQES-SSDOTTSWSA-N -1 3 315.240 0.598 20 5 DCBDHM N[C@@H](CCC(=O)[O-])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001601175238 1168624055 /nfs/dbraw/zinc/62/40/55/1168624055.db2.gz ZGZGXKNYCWMIRE-NSHDSACASA-N -1 3 311.294 0.282 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603954352 1169451884 /nfs/dbraw/zinc/45/18/84/1169451884.db2.gz NYAXVDKQAWJTOX-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603954352 1169451891 /nfs/dbraw/zinc/45/18/91/1169451891.db2.gz NYAXVDKQAWJTOX-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001604111754 1169496130 /nfs/dbraw/zinc/49/61/30/1169496130.db2.gz JTWCXHCLXFSBMX-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001604111754 1169496137 /nfs/dbraw/zinc/49/61/37/1169496137.db2.gz JTWCXHCLXFSBMX-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@@H](NCCn1cc(C(=O)[O-])nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001604339961 1169559142 /nfs/dbraw/zinc/55/91/42/1169559142.db2.gz FBHRALBUGPNLFK-MRVPVSSYSA-N -1 3 320.309 0.818 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001604829634 1169699649 /nfs/dbraw/zinc/69/96/49/1169699649.db2.gz GXPLVFGEQQZUDM-OTSSQURYSA-N -1 3 317.309 0.475 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001604829634 1169699657 /nfs/dbraw/zinc/69/96/57/1169699657.db2.gz GXPLVFGEQQZUDM-OTSSQURYSA-N -1 3 317.309 0.475 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604957196 1169763582 /nfs/dbraw/zinc/76/35/82/1169763582.db2.gz AZJDIWSKWYBYMT-ZETCQYMHSA-N -1 3 310.245 0.698 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604957196 1169763583 /nfs/dbraw/zinc/76/35/83/1169763583.db2.gz AZJDIWSKWYBYMT-ZETCQYMHSA-N -1 3 310.245 0.698 20 5 DCBDHM COC[C@](C)(O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605044028 1169792544 /nfs/dbraw/zinc/79/25/44/1169792544.db2.gz HJVQGGRLRSHOQF-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM COC[C@](C)(O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605044028 1169792549 /nfs/dbraw/zinc/79/25/49/1169792549.db2.gz HJVQGGRLRSHOQF-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC001606277365 1170145455 /nfs/dbraw/zinc/14/54/55/1170145455.db2.gz RNSRGSLDHPSSMG-UHFFFAOYSA-N -1 3 320.294 0.822 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1sccc1-c1nn[n-]n1 ZINC001606277365 1170145457 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O=[N+]([O-])c1cnc(N2CCn3cncc3C2)c(-c2nn[n-]n2)c1 ZINC001609603645 1171040404 /nfs/dbraw/zinc/04/04/04/1171040404.db2.gz UMLQQFZKSHZTCY-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM CC1(C(=O)[O-])CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001609811588 1171091786 /nfs/dbraw/zinc/09/17/86/1171091786.db2.gz AZIKJYRZGHDBNP-NSHDSACASA-N -1 3 310.306 0.741 20 5 DCBDHM O=c1[n-]ccc(N2CCO[C@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC001612633746 1171362544 /nfs/dbraw/zinc/36/25/44/1171362544.db2.gz IRKVUCZDMWPGEE-VIFPVBQESA-N -1 3 306.282 0.192 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)n1 ZINC001631842242 1171601368 /nfs/dbraw/zinc/60/13/68/1171601368.db2.gz DROWYZZCEPBTQM-UHFFFAOYSA-N -1 3 324.322 0.526 20 5 DCBDHM O=c1[n-]ccc(N2CCC3(CC2)C[C@@H](O)CNC3=O)c1[N+](=O)[O-] ZINC001640490320 1171880900 /nfs/dbraw/zinc/88/09/00/1171880900.db2.gz ZJEZEZNGXNMEQO-SECBINFHSA-N -1 3 322.321 0.163 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])n[nH]1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001651279350 1173746122 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O=C1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])N1 ZINC000433443857 262658997 /nfs/dbraw/zinc/65/89/97/262658997.db2.gz OJGLMLIXYPLMON-SECBINFHSA-N -1 3 313.335 0.542 20 5 DCBDHM Cn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000548647199 288163204 /nfs/dbraw/zinc/16/32/04/288163204.db2.gz DUXMKHBYDFGTPX-UHFFFAOYSA-N -1 3 305.250 0.747 20 5 DCBDHM CCc1[nH]nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000551786943 288235606 /nfs/dbraw/zinc/23/56/06/288235606.db2.gz QHTBTGGFKVMDCC-ZETCQYMHSA-N -1 3 320.313 0.413 20 5 DCBDHM CCc1n[nH]c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000551786943 288235608 /nfs/dbraw/zinc/23/56/08/288235608.db2.gz QHTBTGGFKVMDCC-ZETCQYMHSA-N -1 3 320.313 0.413 20 5 DCBDHM CCc1[nH]nc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000551786943 288235609 /nfs/dbraw/zinc/23/56/09/288235609.db2.gz QHTBTGGFKVMDCC-ZETCQYMHSA-N -1 3 320.313 0.413 20 5 DCBDHM COC[C@](C)(O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000394609103 337123086 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CN1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1=O ZINC000736846585 599530941 /nfs/dbraw/zinc/53/09/41/599530941.db2.gz RRVMFWNZVYEIOT-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1=O ZINC000736846585 599530943 /nfs/dbraw/zinc/53/09/43/599530943.db2.gz RRVMFWNZVYEIOT-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM O=C([O-])NC[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834226357 605648563 /nfs/dbraw/zinc/64/85/63/605648563.db2.gz WHDSRRIFNNOCPN-JTQLQIEISA-N -1 3 310.310 0.346 20 5 DCBDHM O=[N+]([O-])c1ccc(N(CCO)CC2CC2)c(-c2nnn[n-]2)c1 ZINC000823640216 606163673 /nfs/dbraw/zinc/16/36/73/606163673.db2.gz XTULHDOGRXWSOM-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(N(CCO)CC2CC2)c(-c2nn[n-]n2)c1 ZINC000823640216 606163675 /nfs/dbraw/zinc/16/36/75/606163675.db2.gz XTULHDOGRXWSOM-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM CCOC(=O)CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825512056 607986806 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DCBDHM COC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001579746838 1165385046 /nfs/dbraw/zinc/38/50/46/1165385046.db2.gz ILYDPMCTIZFVIQ-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])o2)nn1C ZINC001580523923 1165629820 /nfs/dbraw/zinc/62/98/20/1165629820.db2.gz OSOUTYBVYAWXQB-UHFFFAOYSA-N -1 3 318.253 0.662 20 5 DCBDHM CC(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589406178 1166656199 /nfs/dbraw/zinc/65/61/99/1166656199.db2.gz RHZZLQYXDHCIGN-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589406178 1166656207 /nfs/dbraw/zinc/65/62/07/1166656207.db2.gz RHZZLQYXDHCIGN-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC(C)CNC(=O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589635196 1166668727 /nfs/dbraw/zinc/66/87/27/1166668727.db2.gz WKFDFSAOZNUGLZ-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM C[C@@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590073442 1166766488 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319.325 0.737 20 5 DCBDHM CCOC(=O)CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590764444 1167011895 /nfs/dbraw/zinc/01/18/95/1167011895.db2.gz ANBCQSBDMOTIGN-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM CCOC(=O)CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590764444 1167011903 /nfs/dbraw/zinc/01/19/03/1167011903.db2.gz ANBCQSBDMOTIGN-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM COC(=O)C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591242575 1167173095 /nfs/dbraw/zinc/17/30/95/1167173095.db2.gz RCHWEYBHUGAYPZ-UHFFFAOYSA-N -1 3 319.281 0.535 20 5 DCBDHM COC(=O)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591242575 1167173101 /nfs/dbraw/zinc/17/31/01/1167173101.db2.gz RCHWEYBHUGAYPZ-UHFFFAOYSA-N -1 3 319.281 0.535 20 5 DCBDHM CO[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC001591342430 1167223244 /nfs/dbraw/zinc/22/32/44/1167223244.db2.gz HGEQAQVRGSBVAE-CYBMUJFWSA-N -1 3 320.309 0.992 20 5 DCBDHM CO[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC001591342430 1167223251 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ZINC001591774778 1167373733 /nfs/dbraw/zinc/37/37/33/1167373733.db2.gz MTNDGXVFOUPYGA-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM Nc1c([N+](=O)[O-])cnn1CCOc1cccc(-c2nnn[n-]2)c1 ZINC001592758698 1167635935 /nfs/dbraw/zinc/63/59/35/1167635935.db2.gz IKOLAUBIVNLGFD-UHFFFAOYSA-N -1 3 316.281 0.633 20 5 DCBDHM Nc1c([N+](=O)[O-])cnn1CCOc1cccc(-c2nn[n-]n2)c1 ZINC001592758698 1167635941 /nfs/dbraw/zinc/63/59/41/1167635941.db2.gz IKOLAUBIVNLGFD-UHFFFAOYSA-N -1 3 316.281 0.633 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1COCCOC1 ZINC001593471324 1167860727 /nfs/dbraw/zinc/86/07/27/1167860727.db2.gz RVIMFEGXCWLULE-UHFFFAOYSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1COCCOC1 ZINC001593471324 1167860733 /nfs/dbraw/zinc/86/07/33/1167860733.db2.gz RVIMFEGXCWLULE-UHFFFAOYSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[S@](=O)C1 ZINC001593474131 1167863425 /nfs/dbraw/zinc/86/34/25/1167863425.db2.gz FUZZPVBMCSVOEI-ZEDNOMKYSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[S@](=O)C1 ZINC001593474131 1167863439 /nfs/dbraw/zinc/86/34/39/1167863439.db2.gz FUZZPVBMCSVOEI-ZEDNOMKYSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H](O)C12CCC2 ZINC001593471785 1167864630 /nfs/dbraw/zinc/86/46/30/1167864630.db2.gz UOBASHMCDUFAHM-NXEZZACHSA-N -1 3 317.309 0.885 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H](O)C12CCC2 ZINC001593471785 1167864633 /nfs/dbraw/zinc/86/46/33/1167864633.db2.gz UOBASHMCDUFAHM-NXEZZACHSA-N -1 3 317.309 0.885 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593485048 1167870029 /nfs/dbraw/zinc/87/00/29/1167870029.db2.gz OXRUXBCVPONSMQ-ZCFIWIBFSA-N -1 3 319.203 0.505 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593485048 1167870037 /nfs/dbraw/zinc/87/00/37/1167870037.db2.gz OXRUXBCVPONSMQ-ZCFIWIBFSA-N -1 3 319.203 0.505 20 5 DCBDHM CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC001603262258 1169285196 /nfs/dbraw/zinc/28/51/96/1169285196.db2.gz DLIIHWKGEPGWJQ-UHFFFAOYSA-N -1 3 310.310 0.544 20 5 DCBDHM C[C@H](O)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603694827 1169358065 /nfs/dbraw/zinc/35/80/65/1169358065.db2.gz AKJDUFVUIBBOEZ-ZETCQYMHSA-N -1 3 307.314 0.930 20 5 DCBDHM C[C@H](O)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603694827 1169358073 /nfs/dbraw/zinc/35/80/73/1169358073.db2.gz AKJDUFVUIBBOEZ-ZETCQYMHSA-N -1 3 307.314 0.930 20 5 DCBDHM CC1(C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001603788215 1169392015 /nfs/dbraw/zinc/39/20/15/1169392015.db2.gz QPLSIDXPGCYXRL-SNVBAGLBSA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001603788215 1169392022 /nfs/dbraw/zinc/39/20/22/1169392022.db2.gz QPLSIDXPGCYXRL-SNVBAGLBSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001603939433 1169444228 /nfs/dbraw/zinc/44/42/28/1169444228.db2.gz UDPZNDLICMWOJY-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001603939433 1169444233 /nfs/dbraw/zinc/44/42/33/1169444233.db2.gz UDPZNDLICMWOJY-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604877655 1169727782 /nfs/dbraw/zinc/72/77/82/1169727782.db2.gz DHPVVBFERUVXJU-SSDOTTSWSA-N -1 3 305.298 0.711 20 5 DCBDHM CNC(=O)C[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604877655 1169727785 /nfs/dbraw/zinc/72/77/85/1169727785.db2.gz DHPVVBFERUVXJU-SSDOTTSWSA-N -1 3 305.298 0.711 20 5 DCBDHM COC(=O)[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604904050 1169739928 /nfs/dbraw/zinc/73/99/28/1169739928.db2.gz RIYAIOFKGXCHTN-LBPRGKRZSA-N -1 3 322.281 0.111 20 5 DCBDHM CO[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC001605021677 1169782874 /nfs/dbraw/zinc/78/28/74/1169782874.db2.gz XINWIHMPDABHSM-ZDUSSCGKSA-N -1 3 320.309 0.992 20 5 DCBDHM CO[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC001605021677 1169782878 /nfs/dbraw/zinc/78/28/78/1169782878.db2.gz XINWIHMPDABHSM-ZDUSSCGKSA-N -1 3 320.309 0.992 20 5 DCBDHM Cc1nnc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[nH]1 ZINC001606010774 1170047270 /nfs/dbraw/zinc/04/72/70/1170047270.db2.gz MGJMILKAFCVKQE-UHFFFAOYSA-N -1 3 307.299 0.875 20 5 DCBDHM CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])C1 ZINC001606233578 1170128071 /nfs/dbraw/zinc/12/80/71/1170128071.db2.gz VCUYUUCARGFNJF-GFCCVEGCSA-N -1 3 321.333 0.612 20 5 DCBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(O)CCC1 ZINC001606976997 1170343569 /nfs/dbraw/zinc/34/35/69/1170343569.db2.gz BDAJRORADVEZMH-UHFFFAOYSA-N -1 3 319.277 0.733 20 5 DCBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(O)CCC1 ZINC001606976997 1170343575 /nfs/dbraw/zinc/34/35/75/1170343575.db2.gz BDAJRORADVEZMH-UHFFFAOYSA-N -1 3 319.277 0.733 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC(O)(C2CC2)C1 ZINC001607078300 1170382605 /nfs/dbraw/zinc/38/26/05/1170382605.db2.gz TZDSHVZLEOZQMO-UHFFFAOYSA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC(O)(C2CC2)C1 ZINC001607078300 1170382617 /nfs/dbraw/zinc/38/26/17/1170382617.db2.gz TZDSHVZLEOZQMO-UHFFFAOYSA-N -1 3 320.284 0.875 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2C[C@]2(CO)C1 ZINC001607081934 1170384632 /nfs/dbraw/zinc/38/46/32/1170384632.db2.gz LNUKLBYIFFKRQV-TVQRCGJNSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2C[C@]2(CO)C1 ZINC001607081934 1170384635 /nfs/dbraw/zinc/38/46/35/1170384635.db2.gz LNUKLBYIFFKRQV-TVQRCGJNSA-N -1 3 302.294 0.594 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001609174895 1170845816 /nfs/dbraw/zinc/84/58/16/1170845816.db2.gz DCYYPHUJJABCCE-BDAKNGLRSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001609174895 1170845821 /nfs/dbraw/zinc/84/58/21/1170845821.db2.gz DCYYPHUJJABCCE-BDAKNGLRSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCO1 ZINC001609176105 1170850854 /nfs/dbraw/zinc/85/08/54/1170850854.db2.gz KAELVHRPAPLCBY-MRVPVSSYSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCO1 ZINC001609176105 1170850863 /nfs/dbraw/zinc/85/08/63/1170850863.db2.gz KAELVHRPAPLCBY-MRVPVSSYSA-N -1 3 305.298 0.785 20 5 DCBDHM NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609502713 1171002920 /nfs/dbraw/zinc/00/29/20/1171002920.db2.gz QFFACFKQZAJBEX-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609502713 1171002928 /nfs/dbraw/zinc/00/29/28/1171002928.db2.gz QFFACFKQZAJBEX-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@@H](O)C3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001609603598 1171039304 /nfs/dbraw/zinc/03/93/04/1171039304.db2.gz PSPHSODEJLWJKB-SECBINFHSA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cnc(N2C[C@@H](O)C3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001609603598 1171039311 /nfs/dbraw/zinc/03/93/11/1171039311.db2.gz PSPHSODEJLWJKB-SECBINFHSA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC[C@@](F)(CO)C1 ZINC001609600247 1171040120 /nfs/dbraw/zinc/04/01/20/1171040120.db2.gz YZOZITGWWLCJJT-ZDUSSCGKSA-N -1 3 322.300 0.681 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC[C@@](F)(CO)C1 ZINC001609600247 1171040127 /nfs/dbraw/zinc/04/01/27/1171040127.db2.gz YZOZITGWWLCJJT-ZDUSSCGKSA-N -1 3 322.300 0.681 20 5 DCBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631479 1171576167 /nfs/dbraw/zinc/57/61/67/1171576167.db2.gz JOBOESBOANQGJU-QMMMGPOBSA-N -1 3 305.294 0.419 20 5 DCBDHM CC(C)(C(=O)NCCCc1c[n-][nH]c1=O)n1cc([N+](=O)[O-])cn1 ZINC001647859351 1173057759 /nfs/dbraw/zinc/05/77/59/1173057759.db2.gz PAEKCTRHXRBXEW-VIFPVBQESA-N -1 3 322.325 0.155 20 5 DCBDHM COCC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057272173 757411895 /nfs/dbraw/zinc/41/18/95/757411895.db2.gz KMUQWKFINKEGQE-UHFFFAOYSA-N -1 3 310.310 0.745 20 5 DCBDHM CN(CCNC(=O)c1cnccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099936130 763141589 /nfs/dbraw/zinc/14/15/89/763141589.db2.gz AGWUZKZWBVJMJZ-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ccncn1 ZINC001101722500 764278454 /nfs/dbraw/zinc/27/84/54/764278454.db2.gz GAQNAZGCWMMSCO-UHFFFAOYSA-N -1 3 318.293 0.670 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001101728674 764281969 /nfs/dbraw/zinc/28/19/69/764281969.db2.gz HCAQUPBSXQPWFO-UHFFFAOYSA-N -1 3 320.309 0.532 20 5 DCBDHM Nc1nc(NCCNC(=O)c2ccccc2[O-])ncc1[N+](=O)[O-] ZINC001093482847 768581723 /nfs/dbraw/zinc/58/17/23/768581723.db2.gz RXEGEUWLMIWQLS-UHFFFAOYSA-N -1 3 318.293 0.515 20 5 DCBDHM CCc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]n1 ZINC001093484131 768582536 /nfs/dbraw/zinc/58/25/36/768582536.db2.gz RCUQNMYBDPWGDL-UHFFFAOYSA-N -1 3 320.309 0.823 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnns1 ZINC001093491318 768586583 /nfs/dbraw/zinc/58/65/83/768586583.db2.gz WGLQHOQMMYSUNF-UHFFFAOYSA-N -1 3 310.295 0.389 20 5 DCBDHM O=C(CCc1ncc[nH]1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093581818 768635894 /nfs/dbraw/zinc/63/58/94/768635894.db2.gz CDQPJNRGVOZNPO-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM O=C(Cc1ncc[nH]1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094550918 769115935 /nfs/dbraw/zinc/11/59/35/769115935.db2.gz PINMNPZSXLRUJQ-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213512324 773855494 /nfs/dbraw/zinc/85/54/94/773855494.db2.gz LHHBQCCNIQUMPZ-SECBINFHSA-N -1 3 300.340 0.362 20 5 DCBDHM O=C(C1CCC1)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111419251 775860483 /nfs/dbraw/zinc/86/04/83/775860483.db2.gz GMVJHHYIFZYMMU-UHFFFAOYSA-N -1 3 324.337 0.728 20 5 DCBDHM Cc1nc(C)c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]1 ZINC001094127786 947778879 /nfs/dbraw/zinc/77/88/79/947778879.db2.gz NODJNCSFKFWBKT-UHFFFAOYSA-N -1 3 320.309 0.877 20 5 DCBDHM COCCN(C)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001263494247 948725711 /nfs/dbraw/zinc/72/57/11/948725711.db2.gz BXZUIBMCWNRBDN-UHFFFAOYSA-N -1 3 308.298 0.574 20 5 DCBDHM CC[S@@](=O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604475997 1169600064 /nfs/dbraw/zinc/60/00/64/1169600064.db2.gz DEBQIWHDCICXEK-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@@](=O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604475997 1169600066 /nfs/dbraw/zinc/60/00/66/1169600066.db2.gz DEBQIWHDCICXEK-OAQYLSRUSA-N -1 3 310.339 0.955 20 5 DCBDHM O=c1[n-]ccc(NC[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC001333727347 952140981 /nfs/dbraw/zinc/14/09/81/952140981.db2.gz XKZAHEKVOBSWQE-QMMMGPOBSA-N -1 3 301.324 0.932 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cscn2)nc1 ZINC001463294503 1013122212 /nfs/dbraw/zinc/12/22/12/1013122212.db2.gz NEGBRUZBXXCAOI-UHFFFAOYSA-N -1 3 314.348 0.967 20 5 DCBDHM CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001351465923 955306979 /nfs/dbraw/zinc/30/69/79/955306979.db2.gz FNEMZMRDMSJGOQ-NXEZZACHSA-N -1 3 322.321 0.031 20 5 DCBDHM Cn1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001355914075 956744397 /nfs/dbraw/zinc/74/43/97/956744397.db2.gz MACLRNSHUHDBEK-UHFFFAOYSA-N -1 3 314.208 0.972 20 5 DCBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC001295172896 957652684 /nfs/dbraw/zinc/65/26/84/957652684.db2.gz JSRJUAJSXWONSX-UHFFFAOYSA-N -1 3 324.318 0.856 20 5 DCBDHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001309808461 960210595 /nfs/dbraw/zinc/21/05/95/960210595.db2.gz LRXZZFNXILHUCC-DTORHVGOSA-N -1 3 301.324 0.693 20 5 DCBDHM C[C@](NCCn1cncn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286384 994643731 /nfs/dbraw/zinc/64/37/31/994643731.db2.gz RLOYECOIRINVQR-CYBMUJFWSA-N -1 3 305.294 0.776 20 5 DCBDHM CS(=O)(=O)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001472791154 1016854839 /nfs/dbraw/zinc/85/48/39/1016854839.db2.gz VQLCPMCSQBAMQC-MRVPVSSYSA-N -1 3 301.324 0.566 20 5 DCBDHM Nc1c(C(=O)NCCCc2c[n-][nH]c2=O)cc(F)cc1[N+](=O)[O-] ZINC001454187116 1008986674 /nfs/dbraw/zinc/98/66/74/1008986674.db2.gz QTTFRGZZGJGRCL-ZETCQYMHSA-N -1 3 323.284 0.558 20 5 DCBDHM CNC(=O)[C@H](C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000294673224 529914489 /nfs/dbraw/zinc/91/44/89/529914489.db2.gz OWSNDYWWGWSAJX-ZETCQYMHSA-N -1 3 301.249 0.937 20 5 DCBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000152826868 237012802 /nfs/dbraw/zinc/01/28/02/237012802.db2.gz YVOXIKNDYDAFQB-UHFFFAOYSA-N -1 3 302.337 0.831 20 5 DCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c1 ZINC000420437392 240029978 /nfs/dbraw/zinc/02/99/78/240029978.db2.gz CJHNUVOUNWLIHU-JTQLQIEISA-N -1 3 321.305 0.870 20 5 DCBDHM NC(=O)c1nn[n-]c1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800524 241160693 /nfs/dbraw/zinc/16/06/93/241160693.db2.gz BBWAXSZRVYIFMV-WAYWQWQTSA-N -1 3 302.250 0.464 20 5 DCBDHM NC(=O)c1[n-]nnc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800524 241160700 /nfs/dbraw/zinc/16/07/00/241160700.db2.gz BBWAXSZRVYIFMV-WAYWQWQTSA-N -1 3 302.250 0.464 20 5 DCBDHM NC(=O)c1n[n-]nc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000493800524 241160703 /nfs/dbraw/zinc/16/07/03/241160703.db2.gz BBWAXSZRVYIFMV-WAYWQWQTSA-N -1 3 302.250 0.464 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CO)cc1[N+](=O)[O-] ZINC000275122970 212133663 /nfs/dbraw/zinc/13/36/63/212133663.db2.gz YUWWNTFHTVNOKS-ZCFIWIBFSA-N -1 3 308.287 0.402 20 5 DCBDHM CC[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275120128 212131617 /nfs/dbraw/zinc/13/16/17/212131617.db2.gz YJEKTVLTLSIICA-SSDOTTSWSA-N -1 3 322.314 0.792 20 5 DCBDHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3ccccc3[N+](=O)[O-])C2)N1 ZINC000192682312 296359042 /nfs/dbraw/zinc/35/90/42/296359042.db2.gz RBXWWTVCHGHUJU-CQSZACIVSA-N -1 3 304.306 0.769 20 5 DCBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000352109854 254399453 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COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000231599597 395884595 /nfs/dbraw/zinc/88/45/95/395884595.db2.gz CZYQFTYOVHCJPM-VIFPVBQESA-N -1 3 322.314 0.410 20 5 DCBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000276717322 396023287 /nfs/dbraw/zinc/02/32/87/396023287.db2.gz PLHQBCPATCAQAG-MRVPVSSYSA-N -1 3 311.323 0.763 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c(F)c1 ZINC000071304148 396112792 /nfs/dbraw/zinc/11/27/92/396112792.db2.gz HURBXPCJWRDQEX-JTQLQIEISA-N -1 3 304.299 0.783 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000269839697 396450605 /nfs/dbraw/zinc/45/06/05/396450605.db2.gz VSGSAPNKCPBZFE-NXEZZACHSA-N -1 3 316.335 0.795 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]C/C=C\CO)c([N+](=O)[O-])c1 ZINC000594820098 396521475 /nfs/dbraw/zinc/52/14/75/396521475.db2.gz QIGXKBFEMDOJLQ-IHWYPQMZSA-N -1 3 302.308 0.430 20 5 DCBDHM O=C(N[C@@H](CO)CN1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293628760 396621785 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Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000237136307 287065729 /nfs/dbraw/zinc/06/57/29/287065729.db2.gz SBNTUKAQUZIFRL-UHFFFAOYSA-N -1 3 309.322 0.992 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]CCn2cncn2)c([N+](=O)[O-])c1 ZINC000342999893 415399887 /nfs/dbraw/zinc/39/98/87/415399887.db2.gz DXYLSIAPMRQWKB-UHFFFAOYSA-N -1 3 311.323 0.473 20 5 DCBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000107311433 415663027 /nfs/dbraw/zinc/66/30/27/415663027.db2.gz QKKXTCPMEZTDGE-JTQLQIEISA-N -1 3 319.314 0.522 20 5 DCBDHM CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000298054526 415989264 /nfs/dbraw/zinc/98/92/64/415989264.db2.gz AZWLHINJJPJTLK-UHFFFAOYSA-N -1 3 322.365 0.620 20 5 DCBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCNC1 ZINC000193351452 416315708 /nfs/dbraw/zinc/31/57/08/416315708.db2.gz KGPIHZDBEXBGOO-QMMMGPOBSA-N -1 3 303.315 0.764 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000351883779 416282892 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COC(=O)Cc1nnc(NC(=O)c2c(N)cccc2[N+](=O)[O-])[n-]1 ZINC000354742898 261265829 /nfs/dbraw/zinc/26/58/29/261265829.db2.gz QHMVXFHAURSQBG-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000354742898 261265832 /nfs/dbraw/zinc/26/58/32/261265832.db2.gz QHMVXFHAURSQBG-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2c(N)cccc2[N+](=O)[O-])n[n-]1 ZINC000354742898 261265833 /nfs/dbraw/zinc/26/58/33/261265833.db2.gz QHMVXFHAURSQBG-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)NC ZINC000452092237 271908451 /nfs/dbraw/zinc/90/84/51/271908451.db2.gz UGUZGRLNWKSREY-VIFPVBQESA-N -1 3 315.351 0.706 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000541857240 287929281 /nfs/dbraw/zinc/92/92/81/287929281.db2.gz CANWTMZFVYFMDA-QMMMGPOBSA-N -1 3 305.294 0.419 20 5 DCBDHM Cc1nc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000549201445 288194573 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DCBDHM C[C@@H]1CO[C@H](CO)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820804672 607028972 /nfs/dbraw/zinc/02/89/72/607028972.db2.gz XIDSKANCIRDCFX-SCZZXKLOSA-N -1 3 320.309 0.361 20 5 DCBDHM CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000826044173 607840420 /nfs/dbraw/zinc/84/04/20/607840420.db2.gz AUWSNMQPQPTONC-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000826044173 607840421 /nfs/dbraw/zinc/84/04/21/607840421.db2.gz AUWSNMQPQPTONC-JTQLQIEISA-N -1 3 319.325 0.517 20 5 DCBDHM Cn1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000826363654 608232670 /nfs/dbraw/zinc/23/26/70/608232670.db2.gz WEVLUKXYPUGFML-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000826363654 608232671 /nfs/dbraw/zinc/23/26/71/608232671.db2.gz WEVLUKXYPUGFML-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN2C)c([N+](=O)[O-])s1 ZINC000921412778 665301355 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CC(=O)NCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588862770 1166611571 /nfs/dbraw/zinc/61/15/71/1166611571.db2.gz XPGFHPRGUKISHV-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590105611 1166773459 /nfs/dbraw/zinc/77/34/59/1166773459.db2.gz DOEXATBRQAOROZ-NSHDSACASA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590105611 1166773465 /nfs/dbraw/zinc/77/34/65/1166773465.db2.gz DOEXATBRQAOROZ-NSHDSACASA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(C)OC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC001590115867 1166778873 /nfs/dbraw/zinc/77/88/73/1166778873.db2.gz YDARRVLDEOTVJH-QMMMGPOBSA-N -1 3 321.297 0.733 20 5 DCBDHM CC1(C)OC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC001590115867 1166778878 /nfs/dbraw/zinc/77/88/78/1166778878.db2.gz YDARRVLDEOTVJH-QMMMGPOBSA-N -1 3 321.297 0.733 20 5 DCBDHM CCn1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001590959396 1167059345 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O=[N+]([O-])c1cc(NCC2OCCCO2)ccc1-c1nnn[n-]1 ZINC001593474495 1167863483 /nfs/dbraw/zinc/86/34/83/1167863483.db2.gz QHBQBRKNWHEODM-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM O=c1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n[nH]1 ZINC001593497612 1167879278 /nfs/dbraw/zinc/87/92/78/1167879278.db2.gz LWGYUUSDUDZIBJ-UHFFFAOYSA-N -1 3 315.253 0.278 20 5 DCBDHM O=c1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n[nH]1 ZINC001593497612 1167879282 /nfs/dbraw/zinc/87/92/82/1167879282.db2.gz LWGYUUSDUDZIBJ-UHFFFAOYSA-N -1 3 315.253 0.278 20 5 DCBDHM Cn1cc(CN(CCC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])n1 ZINC001600949803 1168527979 /nfs/dbraw/zinc/52/79/79/1168527979.db2.gz AJJHVPYTMNRRFA-UHFFFAOYSA-N -1 3 312.326 0.784 20 5 DCBDHM CC1(C)[C@H](O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603757773 1169379986 /nfs/dbraw/zinc/37/99/86/1169379986.db2.gz RDBDFHLYWYZMMZ-DTWKUNHWSA-N -1 3 305.298 0.741 20 5 DCBDHM CC1(C)[C@H](O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603757773 1169379992 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O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCn1ccnn1 ZINC001609600517 1171040418 /nfs/dbraw/zinc/04/04/18/1171040418.db2.gz OBQVLVKQLFZLBT-UHFFFAOYSA-N -1 3 316.285 0.264 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCn1ccnn1 ZINC001609600517 1171040425 /nfs/dbraw/zinc/04/04/25/1171040425.db2.gz OBQVLVKQLFZLBT-UHFFFAOYSA-N -1 3 316.285 0.264 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC2=O)c([N+](=O)[O-])s1 ZINC001622272868 1171421046 /nfs/dbraw/zinc/42/10/46/1171421046.db2.gz MKDURLXINQWHPO-LURJTMIESA-N -1 3 306.321 0.559 20 5 DCBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001638537533 1171800446 /nfs/dbraw/zinc/80/04/46/1171800446.db2.gz LMGONKWOGKRFSY-UHFFFAOYSA-N -1 3 315.289 0.871 20 5 DCBDHM O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001059459063 749199766 /nfs/dbraw/zinc/19/97/66/749199766.db2.gz ZTLDFUCIKORKIR-ZKCHVHJHSA-N -1 3 303.282 0.481 20 5 DCBDHM CC(C)OCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101516170 749542040 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DCBDHM Cc1c[nH]nc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094399727 769033368 /nfs/dbraw/zinc/03/33/68/769033368.db2.gz ACCZNDHPMXYBEK-UHFFFAOYSA-N -1 3 320.309 0.959 20 5 DCBDHM O=C(Cc1c[nH]cn1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094807818 769303145 /nfs/dbraw/zinc/30/31/45/769303145.db2.gz DFXYPZLUDJMNCW-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001164370896 772651211 /nfs/dbraw/zinc/65/12/11/772651211.db2.gz PFPPMSLDISNYKS-SSDOTTSWSA-N -1 3 306.282 0.013 20 5 DCBDHM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2NC)c1=O ZINC001261742734 947426478 /nfs/dbraw/zinc/42/64/78/947426478.db2.gz FDFADDFZZAVAFT-UHFFFAOYSA-N -1 3 306.282 0.399 20 5 DCBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1(=O)=O ZINC001347230869 954051804 /nfs/dbraw/zinc/05/18/04/954051804.db2.gz HTRRXFXDVUOKTL-MRVPVSSYSA-N -1 3 301.324 0.709 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nnc[nH]1 ZINC001470366305 1016426393 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DCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC(F)F ZINC000281064986 216055987 /nfs/dbraw/zinc/05/59/87/216055987.db2.gz UCVIDHNGKLGQFC-UHFFFAOYSA-N -1 3 323.277 0.254 20 5 DCBDHM CN(C)CCN(CCN(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160272440 291238106 /nfs/dbraw/zinc/23/81/06/291238106.db2.gz NTMSTWXVGJJTOA-UHFFFAOYSA-N -1 3 324.381 0.866 20 5 DCBDHM Cc1nn(C)c([N-]c2ccn(CC(=O)N(C)C)n2)c1[N+](=O)[O-] ZINC000266059586 205066255 /nfs/dbraw/zinc/06/62/55/205066255.db2.gz YTERJGIPXVUNEG-UHFFFAOYSA-N -1 3 307.314 0.665 20 5 DCBDHM CCOc1cc(N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000351887614 254378587 /nfs/dbraw/zinc/37/85/87/254378587.db2.gz MKJCRWKGGDXTRZ-NSHDSACASA-N -1 3 320.305 0.734 20 5 DCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nnc(SCCO)[n-]1 ZINC000270899565 395820635 /nfs/dbraw/zinc/82/06/35/395820635.db2.gz RXBKAEKUCBVRNZ-UHFFFAOYSA-N -1 3 323.334 0.979 20 5 DCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(SCCO)n[n-]1 ZINC000270899565 395820637 /nfs/dbraw/zinc/82/06/37/395820637.db2.gz RXBKAEKUCBVRNZ-UHFFFAOYSA-N -1 3 323.334 0.979 20 5 DCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(SCCO)n1 ZINC000270899565 395820638 /nfs/dbraw/zinc/82/06/38/395820638.db2.gz RXBKAEKUCBVRNZ-UHFFFAOYSA-N -1 3 323.334 0.979 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000049154864 395828790 /nfs/dbraw/zinc/82/87/90/395828790.db2.gz UKKLYJBDXOVOSV-UHFFFAOYSA-N -1 3 301.324 0.318 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000234878873 395891165 /nfs/dbraw/zinc/89/11/65/395891165.db2.gz ANDJHUQUHFLKMK-SNVBAGLBSA-N -1 3 304.324 0.022 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(CC2CC2)CC1 ZINC000125842164 395906568 /nfs/dbraw/zinc/90/65/68/395906568.db2.gz WKYWSAAWWRPCLW-UHFFFAOYSA-N -1 3 306.322 0.863 20 5 DCBDHM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000231598957 395884185 /nfs/dbraw/zinc/88/41/85/395884185.db2.gz HYVYAWNFYGLDDE-VIFPVBQESA-N -1 3 304.324 0.271 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000167186222 396089544 /nfs/dbraw/zinc/08/95/44/396089544.db2.gz KLDVKAZMXLFBLY-UHFFFAOYSA-N -1 3 316.335 0.654 20 5 DCBDHM CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192930768 396441094 /nfs/dbraw/zinc/44/10/94/396441094.db2.gz RPJIBZOBYPYWMK-ZDUSSCGKSA-N -1 3 322.325 0.298 20 5 DCBDHM O=c1[n-]ccc(N2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596053640 396712443 /nfs/dbraw/zinc/71/24/43/396712443.db2.gz OVVYYEYYKZZPEB-NSHDSACASA-N -1 3 308.338 0.996 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)CO)c(F)cc1[N+](=O)[O-] ZINC000590591688 396806906 /nfs/dbraw/zinc/80/69/06/396806906.db2.gz XOCCZEMCUBARDH-ZETCQYMHSA-N -1 3 306.315 0.949 20 5 DCBDHM COCc1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000598051181 397165615 /nfs/dbraw/zinc/16/56/15/397165615.db2.gz RKMAYMJHPCMXCT-UHFFFAOYSA-N -1 3 307.266 0.495 20 5 DCBDHM Cc1noc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000593539806 397386172 /nfs/dbraw/zinc/38/61/72/397386172.db2.gz ZNSOEQAREVVFIO-UHFFFAOYSA-N -1 3 313.295 0.202 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)CCF ZINC000593659131 397421441 /nfs/dbraw/zinc/42/14/41/397421441.db2.gz XVOGCGUVDHQXDO-MRVPVSSYSA-N -1 3 322.314 0.602 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000599477336 397452122 /nfs/dbraw/zinc/45/21/22/397452122.db2.gz GJNYGWJAXNZXFM-WAAGHKOSSA-N -1 3 316.335 0.653 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)nc1 ZINC000593549212 397389712 /nfs/dbraw/zinc/38/97/12/397389712.db2.gz CYGCLZQMQKCTTB-NXEZZACHSA-N -1 3 301.324 0.572 20 5 DCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594321362 397526524 /nfs/dbraw/zinc/52/65/24/397526524.db2.gz BOOTZVWRVYBEBR-UHFFFAOYSA-N -1 3 318.293 0.594 20 5 DCBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599937655 397545458 /nfs/dbraw/zinc/54/54/58/397545458.db2.gz HUKAUPDYFIYOPC-DGCLKSJQSA-N -1 3 321.333 0.582 20 5 DCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOCCO ZINC000052925256 158016164 /nfs/dbraw/zinc/01/61/64/158016164.db2.gz PTWSYGXDBCJZDE-UHFFFAOYSA-N -1 3 324.742 0.535 20 5 DCBDHM CCNC(=O)C[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000125900732 158260154 /nfs/dbraw/zinc/26/01/54/158260154.db2.gz ZGHYACLQUNODDW-UHFFFAOYSA-N -1 3 307.353 0.608 20 5 DCBDHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000126208284 158263256 /nfs/dbraw/zinc/26/32/56/158263256.db2.gz XRYBXMHJWXBMHD-SECBINFHSA-N -1 3 304.324 0.653 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000342514821 287154129 /nfs/dbraw/zinc/15/41/29/287154129.db2.gz HZTNXPVRNLXLEX-LLVKDONJSA-N -1 3 308.269 0.470 20 5 DCBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279139833 415517591 /nfs/dbraw/zinc/51/75/91/415517591.db2.gz RUPDGROMWSERFC-CYBMUJFWSA-N -1 3 305.294 0.477 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(N)=O)c1C ZINC000119447912 415747428 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Cc1ccc(-c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)cc1[N+](=O)[O-] ZINC000355970336 261380247 /nfs/dbraw/zinc/38/02/47/261380247.db2.gz CRMROPZUQAWDRL-QMMMGPOBSA-N -1 3 317.261 0.704 20 5 DCBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000362120390 262001520 /nfs/dbraw/zinc/00/15/20/262001520.db2.gz VGLSSAFAUYURDS-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000362120390 262001521 /nfs/dbraw/zinc/00/15/21/262001521.db2.gz VGLSSAFAUYURDS-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC000420445991 271371678 /nfs/dbraw/zinc/37/16/78/271371678.db2.gz NQTQZDMMVSTCGS-SNVBAGLBSA-N -1 3 321.305 0.870 20 5 DCBDHM NC(=O)CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537169739 287864072 /nfs/dbraw/zinc/86/40/72/287864072.db2.gz AFOIGIACWACOBB-UHFFFAOYSA-N -1 3 301.324 0.529 20 5 DCBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548369800 288136592 /nfs/dbraw/zinc/13/65/92/288136592.db2.gz VZXATMMQJVHDAX-UHFFFAOYSA-N -1 3 302.356 0.608 20 5 DCBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c1 ZINC001656568336 1173869179 /nfs/dbraw/zinc/86/91/79/1173869179.db2.gz UDZVYLNRTJGKFW-VXGBXAGGSA-N -1 3 316.335 0.164 20 5 DCBDHM Cn1c(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000411103287 534679412 /nfs/dbraw/zinc/67/94/12/534679412.db2.gz GSKOCFCJWUZCJF-UHFFFAOYSA-N -1 3 319.281 0.196 20 5 DCBDHM Cn1c(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000411103287 534679416 /nfs/dbraw/zinc/67/94/16/534679416.db2.gz GSKOCFCJWUZCJF-UHFFFAOYSA-N -1 3 319.281 0.196 20 5 DCBDHM Cn1c(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000411103287 534679419 /nfs/dbraw/zinc/67/94/19/534679419.db2.gz GSKOCFCJWUZCJF-UHFFFAOYSA-N -1 3 319.281 0.196 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC000229635017 524909379 /nfs/dbraw/zinc/90/93/79/524909379.db2.gz FGWWDEGAXKZUTG-LBPRGKRZSA-N -1 3 316.335 0.333 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccn(CCO)n1 ZINC000738360480 599118969 /nfs/dbraw/zinc/11/89/69/599118969.db2.gz XHIRGOVSBSFISC-UHFFFAOYSA-N -1 3 316.281 0.707 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736100436 598500331 /nfs/dbraw/zinc/50/03/31/598500331.db2.gz YPWYOQWULYMTKC-ZETCQYMHSA-N -1 3 316.285 0.262 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736100436 598500332 /nfs/dbraw/zinc/50/03/32/598500332.db2.gz YPWYOQWULYMTKC-ZETCQYMHSA-N -1 3 316.285 0.262 20 5 DCBDHM CNC(=O)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821631270 607382938 /nfs/dbraw/zinc/38/29/38/607382938.db2.gz DENYLQCJTBFQQM-NSHDSACASA-N -1 3 319.325 0.957 20 5 DCBDHM CNC(=O)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821631270 607382940 /nfs/dbraw/zinc/38/29/40/607382940.db2.gz DENYLQCJTBFQQM-NSHDSACASA-N -1 3 319.325 0.957 20 5 DCBDHM CNC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000821631269 607382980 /nfs/dbraw/zinc/38/29/80/607382980.db2.gz DENYLQCJTBFQQM-LLVKDONJSA-N -1 3 319.325 0.957 20 5 DCBDHM CNC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000821631269 607382982 /nfs/dbraw/zinc/38/29/82/607382982.db2.gz DENYLQCJTBFQQM-LLVKDONJSA-N -1 3 319.325 0.957 20 5 DCBDHM C[C@H]1CN(CCC(=O)[O-])CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000833628217 605188068 /nfs/dbraw/zinc/18/80/68/605188068.db2.gz DLZSSZWCYMEWAX-NSHDSACASA-N -1 3 311.342 0.272 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821595508 606200221 /nfs/dbraw/zinc/20/02/21/606200221.db2.gz ZLHHUAOHMMYVPP-SNVBAGLBSA-N -1 3 305.298 0.377 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821595508 606200223 /nfs/dbraw/zinc/20/02/23/606200223.db2.gz ZLHHUAOHMMYVPP-SNVBAGLBSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820643430 606474776 /nfs/dbraw/zinc/47/47/76/606474776.db2.gz WGZYIIBFALRKGN-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820643430 606474778 /nfs/dbraw/zinc/47/47/78/606474778.db2.gz WGZYIIBFALRKGN-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825846344 608211989 /nfs/dbraw/zinc/21/19/89/608211989.db2.gz XEBNXGMZBCHNJP-UHFFFAOYSA-N -1 3 320.313 0.458 20 5 DCBDHM CN(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825846344 608211991 /nfs/dbraw/zinc/21/19/91/608211991.db2.gz XEBNXGMZBCHNJP-UHFFFAOYSA-N -1 3 320.313 0.458 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)c([O-])co2)n1 ZINC000755573912 668062276 /nfs/dbraw/zinc/06/22/76/668062276.db2.gz IOEXZNSGPKHKLC-UHFFFAOYSA-N -1 3 309.234 0.827 20 5 DCBDHM C[C@@H]1CCCN1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000769870528 668667747 /nfs/dbraw/zinc/66/77/47/668667747.db2.gz SMXIMKYSXRYOLJ-MRVPVSSYSA-N -1 3 301.328 0.635 20 5 DCBDHM Nc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1[N+](=O)[O-] ZINC000808256786 670402731 /nfs/dbraw/zinc/40/27/31/670402731.db2.gz GZOUVSONKSJRBN-UHFFFAOYSA-N -1 3 305.294 0.563 20 5 DCBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC ZINC000845908590 672282070 /nfs/dbraw/zinc/28/20/70/672282070.db2.gz WQFQRBZDWXEQPL-SECBINFHSA-N -1 3 317.323 0.610 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590279266 1166840565 /nfs/dbraw/zinc/84/05/65/1166840565.db2.gz YNTAIICRCKVGIG-HQJQHLMTSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC[C@H]1O ZINC001590314410 1166861258 /nfs/dbraw/zinc/86/12/58/1166861258.db2.gz QSZFFXDSCXTJLA-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC[C@H]1O ZINC001590314410 1166861261 /nfs/dbraw/zinc/86/12/61/1166861261.db2.gz QSZFFXDSCXTJLA-QPUJVOFHSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CO[C@@H](CO)CN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590323670 1166866824 /nfs/dbraw/zinc/86/68/24/1166866824.db2.gz NGOPCERZNJJYNU-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM CCC1(O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590499905 1166925300 /nfs/dbraw/zinc/92/53/00/1166925300.db2.gz MJMNPTYVOQMLII-UHFFFAOYSA-N -1 3 305.298 0.318 20 5 DCBDHM CCC1(O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590499905 1166925305 /nfs/dbraw/zinc/92/53/05/1166925305.db2.gz MJMNPTYVOQMLII-UHFFFAOYSA-N -1 3 305.298 0.318 20 5 DCBDHM CCCNC(=O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590638310 1166961095 /nfs/dbraw/zinc/96/10/95/1166961095.db2.gz YBPCMEMQXRAALX-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCCNC(=O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590638310 1166961101 /nfs/dbraw/zinc/96/11/01/1166961101.db2.gz YBPCMEMQXRAALX-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCn1nncc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590971926 1167064226 /nfs/dbraw/zinc/06/42/26/1167064226.db2.gz KFDNWBNIWINXAF-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1nncc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590971926 1167064230 /nfs/dbraw/zinc/06/42/30/1167064230.db2.gz KFDNWBNIWINXAF-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(Cc1c[nH]cn1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591126852 1167111940 /nfs/dbraw/zinc/11/19/40/1167111940.db2.gz KERXZMKZXBDSKZ-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM COC(=O)NC1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591272629 1167191162 /nfs/dbraw/zinc/19/11/62/1167191162.db2.gz DWJZZMMXGULDJH-UHFFFAOYSA-N -1 3 319.281 0.320 20 5 DCBDHM COC(=O)NC1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591272629 1167191165 /nfs/dbraw/zinc/19/11/65/1167191165.db2.gz DWJZZMMXGULDJH-UHFFFAOYSA-N -1 3 319.281 0.320 20 5 DCBDHM COC(=O)[C@@H]1C[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591280977 1167198522 /nfs/dbraw/zinc/19/85/22/1167198522.db2.gz MNHIQIYEXVTYFT-VXNVDRBHSA-N -1 3 318.293 0.996 20 5 DCBDHM COC(=O)[C@@H]1C[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591280977 1167198524 /nfs/dbraw/zinc/19/85/24/1167198524.db2.gz MNHIQIYEXVTYFT-VXNVDRBHSA-N -1 3 318.293 0.996 20 5 DCBDHM COC(OC)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591335348 1167221070 /nfs/dbraw/zinc/22/10/70/1167221070.db2.gz UNEKZHRIXBMIAU-LURJTMIESA-N -1 3 309.286 0.589 20 5 DCBDHM COC(OC)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591335348 1167221075 /nfs/dbraw/zinc/22/10/75/1167221075.db2.gz UNEKZHRIXBMIAU-LURJTMIESA-N -1 3 309.286 0.589 20 5 DCBDHM Cc1nc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1-c1nnn[n-]1 ZINC001592350559 1167502996 /nfs/dbraw/zinc/50/29/96/1167502996.db2.gz MMOTWZNKVYFGCM-UHFFFAOYSA-N -1 3 315.253 0.454 20 5 DCBDHM Cc1nc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1-c1nn[n-]n1 ZINC001592350559 1167503001 /nfs/dbraw/zinc/50/30/01/1167503001.db2.gz MMOTWZNKVYFGCM-UHFFFAOYSA-N -1 3 315.253 0.454 20 5 DCBDHM Cn1ccnc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592585296 1167570021 /nfs/dbraw/zinc/57/00/21/1167570021.db2.gz AFBWJFLYZIQVFL-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1ccnc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592585296 1167570025 /nfs/dbraw/zinc/57/00/25/1167570025.db2.gz AFBWJFLYZIQVFL-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592731700 1167618033 /nfs/dbraw/zinc/61/80/33/1167618033.db2.gz IKBCLMHDEBGFPJ-ZETCQYMHSA-N -1 3 318.297 0.022 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](O)[C@H](F)C2)c1-c1nnn[n-]1 ZINC001592755885 1167633569 /nfs/dbraw/zinc/63/35/69/1167633569.db2.gz CEIHJQLTTWIFKB-HZGVNTEJSA-N -1 3 323.288 0.266 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](O)[C@H](F)C2)c1-c1nn[n-]n1 ZINC001592755885 1167633571 /nfs/dbraw/zinc/63/35/71/1167633571.db2.gz CEIHJQLTTWIFKB-HZGVNTEJSA-N -1 3 323.288 0.266 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H]3OCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593485690 1167865707 /nfs/dbraw/zinc/86/57/07/1167865707.db2.gz FSUFZXLFJHWOLK-KCJUWKMLSA-N -1 3 317.309 0.785 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H]3OCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593485690 1167865712 /nfs/dbraw/zinc/86/57/12/1167865712.db2.gz FSUFZXLFJHWOLK-KCJUWKMLSA-N -1 3 317.309 0.785 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H](O)[C@@H]1CCCO1 ZINC001593481654 1167869511 /nfs/dbraw/zinc/86/95/11/1167869511.db2.gz TXBGNGXVWRXYNF-MNOVXSKESA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H](O)[C@@H]1CCCO1 ZINC001593481654 1167869519 /nfs/dbraw/zinc/86/95/19/1167869519.db2.gz TXBGNGXVWRXYNF-MNOVXSKESA-N -1 3 320.309 0.727 20 5 DCBDHM O=c1[nH]ccc(NCc2cncc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001593490302 1167876374 /nfs/dbraw/zinc/87/63/74/1167876374.db2.gz YOBMNOBWLYDKHL-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM O=c1[nH]ccc(NCc2cncc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001593490302 1167876379 /nfs/dbraw/zinc/87/63/79/1167876379.db2.gz YOBMNOBWLYDKHL-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM O=C([O-])COc1ccc(CNC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC001602083210 1168991356 /nfs/dbraw/zinc/99/13/56/1168991356.db2.gz KFMUIVPEVAABLF-JTQLQIEISA-N -1 3 323.305 0.426 20 5 DCBDHM C[C@@]1(O)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603819144 1169404126 /nfs/dbraw/zinc/40/41/26/1169404126.db2.gz DJUWTTPDKRODKV-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM C[C@@]1(O)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603819144 1169404129 /nfs/dbraw/zinc/40/41/29/1169404129.db2.gz DJUWTTPDKRODKV-GFCCVEGCSA-N -1 3 305.298 0.521 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1O ZINC001603908327 1169428615 /nfs/dbraw/zinc/42/86/15/1169428615.db2.gz BTNOBUVTNUQRAI-XVKPBYJWSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1O ZINC001603908327 1169428620 /nfs/dbraw/zinc/42/86/20/1169428620.db2.gz BTNOBUVTNUQRAI-XVKPBYJWSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC001603942086 1169446099 /nfs/dbraw/zinc/44/60/99/1169446099.db2.gz ZBKNIELSOBCGPX-ISVAXAHUSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC001603942086 1169446103 /nfs/dbraw/zinc/44/61/03/1169446103.db2.gz ZBKNIELSOBCGPX-ISVAXAHUSA-N -1 3 319.325 0.625 20 5 DCBDHM CN(CC(C)(CO)CO)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604714649 1169661253 /nfs/dbraw/zinc/66/12/53/1169661253.db2.gz JYSIIUZIZMQEON-UHFFFAOYSA-N -1 3 322.325 0.202 20 5 DCBDHM CN(CC(C)(CO)CO)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604714649 1169661256 /nfs/dbraw/zinc/66/12/56/1169661256.db2.gz JYSIIUZIZMQEON-UHFFFAOYSA-N -1 3 322.325 0.202 20 5 DCBDHM CN1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1=O ZINC001604845139 1169706225 /nfs/dbraw/zinc/70/62/25/1169706225.db2.gz BKSIQNFJEVIUHG-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1=O ZINC001604845139 1169706232 /nfs/dbraw/zinc/70/62/32/1169706232.db2.gz BKSIQNFJEVIUHG-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM CON(C)C(=O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605140954 1169841008 /nfs/dbraw/zinc/84/10/08/1169841008.db2.gz KCSFXJZPXZXMNT-UHFFFAOYSA-N -1 3 307.270 0.207 20 5 DCBDHM CON(C)C(=O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605140954 1169841016 /nfs/dbraw/zinc/84/10/16/1169841016.db2.gz KCSFXJZPXZXMNT-UHFFFAOYSA-N -1 3 307.270 0.207 20 5 DCBDHM Cc1cc(NC2COCCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723165 1169992234 /nfs/dbraw/zinc/99/22/34/1169992234.db2.gz HIPXKADLFKYLIM-UHFFFAOYSA-N -1 3 320.309 0.911 20 5 DCBDHM Cc1cc(NC2COCCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723165 1169992239 /nfs/dbraw/zinc/99/22/39/1169992239.db2.gz HIPXKADLFKYLIM-UHFFFAOYSA-N -1 3 320.309 0.911 20 5 DCBDHM Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c[n+]1[O-] ZINC001605879140 1170020186 /nfs/dbraw/zinc/02/01/86/1170020186.db2.gz BQORTQVCVRYNBC-UHFFFAOYSA-N -1 3 315.249 0.904 20 5 DCBDHM Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c[n+]1[O-] ZINC001605879140 1170020193 /nfs/dbraw/zinc/02/01/93/1170020193.db2.gz BQORTQVCVRYNBC-UHFFFAOYSA-N -1 3 315.249 0.904 20 5 DCBDHM Cn1c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]c1=O ZINC001606216160 1170118013 /nfs/dbraw/zinc/11/80/13/1170118013.db2.gz GYTXSZCNDRUANE-UHFFFAOYSA-N -1 3 317.269 0.221 20 5 DCBDHM Cn1c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]c1=O ZINC001606216160 1170118018 /nfs/dbraw/zinc/11/80/18/1170118018.db2.gz GYTXSZCNDRUANE-UHFFFAOYSA-N -1 3 317.269 0.221 20 5 DCBDHM O=C(Cn1nccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC001606625270 1170247019 /nfs/dbraw/zinc/24/70/19/1170247019.db2.gz LQOSKBXFFRHOHW-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=C(Cn1nccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC001606625270 1170247021 /nfs/dbraw/zinc/24/70/21/1170247021.db2.gz LQOSKBXFFRHOHW-UHFFFAOYSA-N -1 3 314.265 0.610 20 5 DCBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC001606932577 1170332746 /nfs/dbraw/zinc/33/27/46/1170332746.db2.gz QOHMVTQITFKEEQ-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC001606932577 1170332753 /nfs/dbraw/zinc/33/27/53/1170332753.db2.gz QOHMVTQITFKEEQ-UHFFFAOYSA-N -1 3 300.238 0.750 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CC12CC(O)C2 ZINC001607080925 1170384280 /nfs/dbraw/zinc/38/42/80/1170384280.db2.gz UVUYOZHXOKDABO-AZOHRERUSA-N -1 3 303.282 0.495 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CC12CC(O)C2 ZINC001607080925 1170384285 /nfs/dbraw/zinc/38/42/85/1170384285.db2.gz UVUYOZHXOKDABO-AZOHRERUSA-N -1 3 303.282 0.495 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609128929 1170820308 /nfs/dbraw/zinc/82/03/08/1170820308.db2.gz VDDJHJDIPTZEEG-RKDXNWHRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609128929 1170820312 /nfs/dbraw/zinc/82/03/12/1170820312.db2.gz VDDJHJDIPTZEEG-RKDXNWHRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609128925 1170821275 /nfs/dbraw/zinc/82/12/75/1170821275.db2.gz VDDJHJDIPTZEEG-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609128925 1170821279 /nfs/dbraw/zinc/82/12/79/1170821279.db2.gz VDDJHJDIPTZEEG-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609152523 1170828844 /nfs/dbraw/zinc/82/88/44/1170828844.db2.gz GAIFTBXXGKNOIB-QMMMGPOBSA-N -1 3 317.309 0.095 20 5 DCBDHM C[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609152523 1170828848 /nfs/dbraw/zinc/82/88/48/1170828848.db2.gz GAIFTBXXGKNOIB-QMMMGPOBSA-N -1 3 317.309 0.095 20 5 DCBDHM CCN(CCOCCO)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609224471 1170878872 /nfs/dbraw/zinc/87/88/72/1170878872.db2.gz CIHXGVADRPYWMX-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC001609278602 1170909090 /nfs/dbraw/zinc/90/90/90/1170909090.db2.gz QAKWFYDPTCOGMI-SNVBAGLBSA-N -1 3 317.309 0.095 20 5 DCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC001609278602 1170909096 /nfs/dbraw/zinc/90/90/96/1170909096.db2.gz QAKWFYDPTCOGMI-SNVBAGLBSA-N -1 3 317.309 0.095 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](O)CC1 ZINC001609600513 1171040793 /nfs/dbraw/zinc/04/07/93/1171040793.db2.gz NTRNVHGNSJYVHB-VIFPVBQESA-N -1 3 305.298 0.521 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](O)CC1 ZINC001609600513 1171040801 /nfs/dbraw/zinc/04/08/01/1171040801.db2.gz NTRNVHGNSJYVHB-VIFPVBQESA-N -1 3 305.298 0.521 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c([N+](=O)[O-])s1 ZINC001665096468 1174480314 /nfs/dbraw/zinc/48/03/14/1174480314.db2.gz WRHZIMMGZAHKMT-HTQZYQBOSA-N -1 3 322.364 0.393 20 5 DCBDHM COC1(OC)CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001666284190 1174597906 /nfs/dbraw/zinc/59/79/06/1174597906.db2.gz JKJWXRONNNLHBH-UHFFFAOYSA-N -1 3 317.323 0.420 20 5 DCBDHM Cc1cnc(N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC001059458478 749198958 /nfs/dbraw/zinc/19/89/58/749198958.db2.gz KNVNLGXVUWAEMS-KYZUINATSA-N -1 3 317.309 0.789 20 5 DCBDHM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)ncc1[N+](=O)[O-] ZINC001059880420 749672508 /nfs/dbraw/zinc/67/25/08/749672508.db2.gz IJYUGUWBHBWKLX-DTORHVGOSA-N -1 3 317.309 0.789 20 5 DCBDHM O=C(NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cn[n-]n1 ZINC001057973496 759673518 /nfs/dbraw/zinc/67/35/18/759673518.db2.gz DXZBXWWYYRYANQ-UHFFFAOYSA-N -1 3 317.309 0.507 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnn(C)c1 ZINC001101486459 764111958 /nfs/dbraw/zinc/11/19/58/764111958.db2.gz GLXSGFAERCMDKJ-UHFFFAOYSA-N -1 3 320.309 0.613 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnn(C)n1 ZINC001101680276 764245212 /nfs/dbraw/zinc/24/52/12/764245212.db2.gz FQTHEPBFUHXDCM-UHFFFAOYSA-N -1 3 321.297 0.008 20 5 DCBDHM CCCOCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093152769 768467293 /nfs/dbraw/zinc/46/72/93/768467293.db2.gz SFRUZBDNGRFTIY-UHFFFAOYSA-N -1 3 324.337 0.771 20 5 DCBDHM CC(C)(C)C(=O)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093532392 768607321 /nfs/dbraw/zinc/60/73/21/768607321.db2.gz QPOIEHASPWWWCM-UHFFFAOYSA-N -1 3 310.310 0.839 20 5 DCBDHM Cc1nc[n-]c(=O)c1C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094052246 768835202 /nfs/dbraw/zinc/83/52/02/768835202.db2.gz LRPIKNNCQYLLNY-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM Cc1nc[n-]c(=O)c1C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001094052240 768836175 /nfs/dbraw/zinc/83/61/75/768836175.db2.gz LIIQQAYEWHZGJJ-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1csnn1 ZINC001094687721 769189170 /nfs/dbraw/zinc/18/91/70/769189170.db2.gz ZEDKEYGHGWCBIO-UHFFFAOYSA-N -1 3 324.322 0.779 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001156279437 770772170 /nfs/dbraw/zinc/77/21/70/770772170.db2.gz SRMAYAZKIZKXRS-ZETCQYMHSA-N -1 3 313.701 0.806 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162305364 772357068 /nfs/dbraw/zinc/35/70/68/772357068.db2.gz DUWCROUFWSVNTG-QMMMGPOBSA-N -1 3 305.250 0.586 20 5 DCBDHM CC1=NO[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001190447135 772631477 /nfs/dbraw/zinc/63/14/77/772631477.db2.gz RBKDQTKEQBXRAY-VIFPVBQESA-N -1 3 300.296 0.433 20 5 DCBDHM NC(=O)c1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001164371173 772651550 /nfs/dbraw/zinc/65/15/50/772651550.db2.gz WNTNTGIOHVQVQK-ZETCQYMHSA-N -1 3 306.282 0.013 20 5 DCBDHM CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001573530571 946698883 /nfs/dbraw/zinc/69/88/83/946698883.db2.gz VWYRXDOYUNFNEU-UHFFFAOYSA-N -1 3 317.309 0.856 20 5 DCBDHM CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001573530571 946698888 /nfs/dbraw/zinc/69/88/88/946698888.db2.gz VWYRXDOYUNFNEU-UHFFFAOYSA-N -1 3 317.309 0.856 20 5 DCBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001328693703 949029109 /nfs/dbraw/zinc/02/91/09/949029109.db2.gz NLWHOGBJKJFKDV-PSASIEDQSA-N -1 3 301.324 0.836 20 5 DCBDHM C[C@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001575866536 949414450 /nfs/dbraw/zinc/41/44/50/949414450.db2.gz GOOFXWRTPXGALA-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001575866536 949414460 /nfs/dbraw/zinc/41/44/60/949414460.db2.gz GOOFXWRTPXGALA-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309460361 960199020 /nfs/dbraw/zinc/19/90/20/960199020.db2.gz KNGNJMDCYGIYTI-SSDOTTSWSA-N -1 3 310.353 0.250 20 5 DCBDHM CC[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)NC ZINC001458433622 1012177464 /nfs/dbraw/zinc/17/74/64/1012177464.db2.gz QUZWDOLLXXDBER-LURJTMIESA-N -1 3 321.380 0.996 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001544710327 1012548625 /nfs/dbraw/zinc/54/86/25/1012548625.db2.gz ABCITRAGFMYLOL-UHFFFAOYSA-N -1 3 314.279 0.577 20 5 DCBDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000272665859 210072520 /nfs/dbraw/zinc/07/25/20/210072520.db2.gz JCHUYQPTVPPVAE-SECBINFHSA-N -1 3 322.314 0.674 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(N)=O)cc1C ZINC000173033071 198179153 /nfs/dbraw/zinc/17/91/53/198179153.db2.gz VEWYTSJKSOIGPB-UHFFFAOYSA-N -1 3 301.324 0.365 20 5 DCBDHM CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000154712152 291215028 /nfs/dbraw/zinc/21/50/28/291215028.db2.gz SZGVXHJTCVSFCV-UHFFFAOYSA-N -1 3 324.381 0.866 20 5 DCBDHM CN(C)CCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000154712152 291215029 /nfs/dbraw/zinc/21/50/29/291215029.db2.gz SZGVXHJTCVSFCV-UHFFFAOYSA-N -1 3 324.381 0.866 20 5 DCBDHM CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000348291764 254230009 /nfs/dbraw/zinc/23/00/09/254230009.db2.gz CCCHBZWXIMXDNN-CQSZACIVSA-N -1 3 311.338 0.733 20 5 DCBDHM CCOc1cc(N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000351887613 254378135 /nfs/dbraw/zinc/37/81/35/254378135.db2.gz MKJCRWKGGDXTRZ-LLVKDONJSA-N -1 3 320.305 0.734 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000049498831 395832452 /nfs/dbraw/zinc/83/24/52/395832452.db2.gz FZUULNRPKAFRKN-QMMMGPOBSA-N -1 3 302.308 0.576 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000228621587 395872720 /nfs/dbraw/zinc/87/27/20/395872720.db2.gz BOOOWWLIEQFQGB-QMMMGPOBSA-N -1 3 310.278 0.808 20 5 DCBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282214109 396272398 /nfs/dbraw/zinc/27/23/98/396272398.db2.gz GUNNUECPOACOHZ-QMMMGPOBSA-N -1 3 319.314 0.347 20 5 DCBDHM CN1CCN(C)[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269177130 396392048 /nfs/dbraw/zinc/39/20/48/396392048.db2.gz JVBWKYPWPUAJDS-LBPRGKRZSA-N -1 3 308.338 0.276 20 5 DCBDHM C[C@H](O)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269350043 396408799 /nfs/dbraw/zinc/40/87/99/396408799.db2.gz JWEJJAYANWRJNL-ZETCQYMHSA-N -1 3 318.307 0.025 20 5 DCBDHM COC(=O)[C@@H](C)OCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594651567 396493573 /nfs/dbraw/zinc/49/35/73/396493573.db2.gz CQSNHXIQEKOOIB-MRVPVSSYSA-N -1 3 322.277 0.959 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(N)=O ZINC000292261930 396541089 /nfs/dbraw/zinc/54/10/89/396541089.db2.gz WFEUZFHYRLPAJL-SECBINFHSA-N -1 3 315.351 0.754 20 5 DCBDHM O=C(N[C@@H]1CCCN(CCCO)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295535637 396699809 /nfs/dbraw/zinc/69/98/09/396699809.db2.gz RRBBWNUVMWNNAC-LLVKDONJSA-N -1 3 324.337 0.272 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000590064833 396738770 /nfs/dbraw/zinc/73/87/70/396738770.db2.gz RIQVGDPNEJVIOK-UHFFFAOYSA-N -1 3 316.335 0.797 20 5 DCBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000596235395 396740634 /nfs/dbraw/zinc/74/06/34/396740634.db2.gz BQFCEEHOZUGSLD-OCAPTIKFSA-N -1 3 301.324 0.707 20 5 DCBDHM CN(C)CC1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000564511174 396840712 /nfs/dbraw/zinc/84/07/12/396840712.db2.gz TWIMUMALNZMQPO-UHFFFAOYSA-N -1 3 314.367 0.752 20 5 DCBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)NCCN(C)C ZINC000578340136 397424074 /nfs/dbraw/zinc/42/40/74/397424074.db2.gz HKSOFCMUXZKXBE-VIFPVBQESA-N -1 3 324.337 0.097 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])[n-]n1 ZINC000543761056 412432143 /nfs/dbraw/zinc/43/21/43/412432143.db2.gz XDFHGCWHJQRAAA-UHFFFAOYSA-N -1 3 308.254 0.480 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n[n-]1 ZINC000543761056 412432146 /nfs/dbraw/zinc/43/21/46/412432146.db2.gz XDFHGCWHJQRAAA-UHFFFAOYSA-N -1 3 308.254 0.480 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000342510548 415195848 /nfs/dbraw/zinc/19/58/48/415195848.db2.gz VXMXJWFFICZGJR-GFCCVEGCSA-N -1 3 320.305 0.210 20 5 DCBDHM CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055218124 415332600 /nfs/dbraw/zinc/33/26/00/415332600.db2.gz HBJQVXMOYJKWAN-UHFFFAOYSA-N -1 3 319.314 0.537 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(N)=O)c1C ZINC000119447780 415748345 /nfs/dbraw/zinc/74/83/45/415748345.db2.gz PTDZHNXVARIPAQ-QMMMGPOBSA-N -1 3 301.324 0.364 20 5 DCBDHM COC(=O)C1([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000345487715 416102118 /nfs/dbraw/zinc/10/21/18/416102118.db2.gz KKTBCVRKEOFDPL-UHFFFAOYSA-N -1 3 314.319 0.720 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(N)=O)c1C ZINC000360201567 416378914 /nfs/dbraw/zinc/37/89/14/416378914.db2.gz BZDZKUYEPRLUOS-QMMMGPOBSA-N -1 3 315.351 0.754 20 5 DCBDHM CCC[C@H](O)[C@H](CO)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000419803135 416412958 /nfs/dbraw/zinc/41/29/58/416412958.db2.gz BUCICBRHFIVJKS-JQWIXIFHSA-N -1 3 314.338 0.921 20 5 DCBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000360842702 416413051 /nfs/dbraw/zinc/41/30/51/416413051.db2.gz XQVKJAJOXRTDFS-UHFFFAOYSA-N -1 3 304.188 0.990 20 5 DCBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000360842702 416413052 /nfs/dbraw/zinc/41/30/52/416413052.db2.gz XQVKJAJOXRTDFS-UHFFFAOYSA-N -1 3 304.188 0.990 20 5 DCBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000360842702 416413054 /nfs/dbraw/zinc/41/30/54/416413054.db2.gz XQVKJAJOXRTDFS-UHFFFAOYSA-N -1 3 304.188 0.990 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360992304 416418847 /nfs/dbraw/zinc/41/88/47/416418847.db2.gz ATXYAKAOTBHNMS-UHFFFAOYSA-N -1 3 319.203 0.245 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360992304 416418849 /nfs/dbraw/zinc/41/88/49/416418849.db2.gz ATXYAKAOTBHNMS-UHFFFAOYSA-N -1 3 319.203 0.245 20 5 DCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360992304 416418850 /nfs/dbraw/zinc/41/88/50/416418850.db2.gz ATXYAKAOTBHNMS-UHFFFAOYSA-N -1 3 319.203 0.245 20 5 DCBDHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000436682494 416567308 /nfs/dbraw/zinc/56/73/08/416567308.db2.gz WASOIYCFMGXAEK-UHFFFAOYSA-N -1 3 318.289 0.788 20 5 DCBDHM CC(=O)N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000516663055 416735024 /nfs/dbraw/zinc/73/50/24/416735024.db2.gz CAHROFNRPAKHHG-UHFFFAOYSA-N -1 3 317.298 0.243 20 5 DCBDHM Cn1nc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC(F)F ZINC000428214347 416885206 /nfs/dbraw/zinc/88/52/06/416885206.db2.gz CSKVYOLGBXBARS-UHFFFAOYSA-N -1 3 302.197 0.905 20 5 DCBDHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC000522254461 417056177 /nfs/dbraw/zinc/05/61/77/417056177.db2.gz GTONAKKXVFLGDN-SNVBAGLBSA-N -1 3 320.305 0.845 20 5 DCBDHM O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1[O-] ZINC000452370248 417475840 /nfs/dbraw/zinc/47/58/40/417475840.db2.gz SGSGBXDMPBRQHX-GFCCVEGCSA-N -1 3 323.349 0.877 20 5 DCBDHM CN(C)CCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000530880834 417594662 /nfs/dbraw/zinc/59/46/62/417594662.db2.gz LUCWRHWIKOBHLR-UHFFFAOYSA-N -1 3 324.381 0.866 20 5 DCBDHM CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1[N+](=O)[O-] ZINC000551786942 288235476 /nfs/dbraw/zinc/23/54/76/288235476.db2.gz QHTBTGGFKVMDCC-SSDOTTSWSA-N -1 3 320.313 0.413 20 5 DCBDHM CCc1n[nH]c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000551786942 288235479 /nfs/dbraw/zinc/23/54/79/288235479.db2.gz QHTBTGGFKVMDCC-SSDOTTSWSA-N -1 3 320.313 0.413 20 5 DCBDHM CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000551786942 288235482 /nfs/dbraw/zinc/23/54/82/288235482.db2.gz QHTBTGGFKVMDCC-SSDOTTSWSA-N -1 3 320.313 0.413 20 5 DCBDHM O=C(NC[C@]1(O)CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000563399160 288668971 /nfs/dbraw/zinc/66/89/71/288668971.db2.gz VMUWUXBXBSPDRF-HNNXBMFYSA-N -1 3 321.333 0.487 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737989295 598569636 /nfs/dbraw/zinc/56/96/36/598569636.db2.gz XAUANXOGGURPBF-UHFFFAOYSA-N -1 3 300.238 0.249 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737989295 598569637 /nfs/dbraw/zinc/56/96/37/598569637.db2.gz XAUANXOGGURPBF-UHFFFAOYSA-N -1 3 300.238 0.249 20 5 DCBDHM COCC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736976850 598682290 /nfs/dbraw/zinc/68/22/90/598682290.db2.gz QNQDXXKRMGDTIN-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736976850 598682292 /nfs/dbraw/zinc/68/22/92/598682292.db2.gz QNQDXXKRMGDTIN-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM CCOC(=O)CSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821334538 599372185 /nfs/dbraw/zinc/37/21/85/599372185.db2.gz NJDDKLLZKJJZGM-UHFFFAOYSA-N -1 3 310.295 0.825 20 5 DCBDHM O=[N+]([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000823635519 606174764 /nfs/dbraw/zinc/17/47/64/606174764.db2.gz ZUWHVYCYJNVAQX-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=[N+]([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000823635519 606174766 /nfs/dbraw/zinc/17/47/66/606174766.db2.gz ZUWHVYCYJNVAQX-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000823647942 606851299 /nfs/dbraw/zinc/85/12/99/606851299.db2.gz QLIDVEYBXHEWCK-SNVBAGLBSA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000823647942 606851300 /nfs/dbraw/zinc/85/13/00/606851300.db2.gz QLIDVEYBXHEWCK-SNVBAGLBSA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CC2)c(F)c1 ZINC000751418666 668000858 /nfs/dbraw/zinc/00/08/58/668000858.db2.gz PSHHWOMSTJGDBZ-JTQLQIEISA-N -1 3 304.299 0.783 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769496895 668651282 /nfs/dbraw/zinc/65/12/82/668651282.db2.gz KOXVFXAXYWTODG-SMDDNHRTSA-N -1 3 321.333 0.893 20 5 DCBDHM CCc1[nH]nc(C(=O)OCc2cc(=O)c([O-])co2)c1[N+](=O)[O-] ZINC000795614320 669902669 /nfs/dbraw/zinc/90/26/69/669902669.db2.gz WSZVDHLLXNZWGU-UHFFFAOYSA-N -1 3 309.234 0.896 20 5 DCBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCOCC1 ZINC000804596584 670300773 /nfs/dbraw/zinc/30/07/73/670300773.db2.gz OLRVCIBJLFNCOT-UHFFFAOYSA-N -1 3 310.266 0.774 20 5 DCBDHM C[C@]1([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCOC1=O ZINC000810101741 670475972 /nfs/dbraw/zinc/47/59/72/670475972.db2.gz BKYJMWWFSMUDFE-LBPRGKRZSA-N -1 3 314.319 0.720 20 5 DCBDHM O=C([N-]C[C@@H](O)CO)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585915 670698931 /nfs/dbraw/zinc/69/89/31/670698931.db2.gz UHLNANOGHJNTBP-MRVPVSSYSA-N -1 3 306.221 0.036 20 5 DCBDHM COC[C@H](CO)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590474 670699701 /nfs/dbraw/zinc/69/97/01/670699701.db2.gz URDPHOCLICMFHI-QMMMGPOBSA-N -1 3 320.248 0.690 20 5 DCBDHM CC[S@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845856584 672278848 /nfs/dbraw/zinc/27/88/48/672278848.db2.gz DOUAGIKJGXTWOU-SFHVURJKSA-N -1 3 307.353 0.037 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CS(=O)(=O)C(F)F ZINC001582803947 1166087174 /nfs/dbraw/zinc/08/71/74/1166087174.db2.gz DMKVOORQHGKVHS-UHFFFAOYSA-N -1 3 319.249 0.912 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CS(=O)(=O)C(F)F ZINC001582803947 1166087180 /nfs/dbraw/zinc/08/71/80/1166087180.db2.gz DMKVOORQHGKVHS-UHFFFAOYSA-N -1 3 319.249 0.912 20 5 DCBDHM CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588862522 1166611426 /nfs/dbraw/zinc/61/14/26/1166611426.db2.gz RKYAHBOVVGRGPJ-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588862522 1166611432 /nfs/dbraw/zinc/61/14/32/1166611432.db2.gz RKYAHBOVVGRGPJ-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@H]1O ZINC001590107823 1166776894 /nfs/dbraw/zinc/77/68/94/1166776894.db2.gz HJHJRLNYMGEYCO-SECBINFHSA-N -1 3 319.325 0.564 20 5 DCBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@H]1O ZINC001590107823 1166776900 /nfs/dbraw/zinc/77/69/00/1166776900.db2.gz HJHJRLNYMGEYCO-SECBINFHSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590276837 1166837787 /nfs/dbraw/zinc/83/77/87/1166837787.db2.gz FDXWKEAMVQLJDH-RDDDGLTNSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590276837 1166837794 /nfs/dbraw/zinc/83/77/94/1166837794.db2.gz FDXWKEAMVQLJDH-RDDDGLTNSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590276836 1166838441 /nfs/dbraw/zinc/83/84/41/1166838441.db2.gz FDXWKEAMVQLJDH-HQJQHLMTSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590276836 1166838445 /nfs/dbraw/zinc/83/84/45/1166838445.db2.gz FDXWKEAMVQLJDH-HQJQHLMTSA-N -1 3 317.309 0.711 20 5 DCBDHM CCN(CC(=O)N(C)C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590679852 1166967701 /nfs/dbraw/zinc/96/77/01/1166967701.db2.gz ONADQBCTGOZHEG-UHFFFAOYSA-N -1 3 319.325 0.689 20 5 DCBDHM CCN(CC(=O)NC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590681158 1166972825 /nfs/dbraw/zinc/97/28/25/1166972825.db2.gz DSPNUUNRPFTTPS-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CCN(CC(=O)NC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590681158 1166972829 /nfs/dbraw/zinc/97/28/29/1166972829.db2.gz DSPNUUNRPFTTPS-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CCOC(=O)CN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590764813 1167012014 /nfs/dbraw/zinc/01/20/14/1167012014.db2.gz ZBTUGEZDSZKCLW-UHFFFAOYSA-N -1 3 324.272 0.913 20 5 DCBDHM CCOC(=O)CN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590764813 1167012021 /nfs/dbraw/zinc/01/20/21/1167012021.db2.gz ZBTUGEZDSZKCLW-UHFFFAOYSA-N -1 3 324.272 0.913 20 5 DCBDHM CN(CCn1cccn1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591123668 1167108068 /nfs/dbraw/zinc/10/80/68/1167108068.db2.gz RSBOGOXQFMRMKI-UHFFFAOYSA-N -1 3 315.297 0.503 20 5 DCBDHM CN(CCn1cccn1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591123668 1167108073 /nfs/dbraw/zinc/10/80/73/1167108073.db2.gz RSBOGOXQFMRMKI-UHFFFAOYSA-N -1 3 315.297 0.503 20 5 DCBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001591161120 1167121418 /nfs/dbraw/zinc/12/14/18/1167121418.db2.gz RWIDYHSSQQJKDN-MRVPVSSYSA-N -1 3 305.298 0.785 20 5 DCBDHM CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001591161120 1167121419 /nfs/dbraw/zinc/12/14/19/1167121419.db2.gz RWIDYHSSQQJKDN-MRVPVSSYSA-N -1 3 305.298 0.785 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591276244 1167196208 /nfs/dbraw/zinc/19/62/08/1167196208.db2.gz GBQLGYAIMUAAPR-LURJTMIESA-N -1 3 311.233 0.093 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591276244 1167196212 /nfs/dbraw/zinc/19/62/12/1167196212.db2.gz GBQLGYAIMUAAPR-LURJTMIESA-N -1 3 311.233 0.093 20 5 DCBDHM CO[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC001591342598 1167223537 /nfs/dbraw/zinc/22/35/37/1167223537.db2.gz HKYXZPOMOHGAEX-GFCCVEGCSA-N -1 3 321.297 0.387 20 5 DCBDHM CO[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC001591342598 1167223544 /nfs/dbraw/zinc/22/35/44/1167223544.db2.gz HKYXZPOMOHGAEX-GFCCVEGCSA-N -1 3 321.297 0.387 20 5 DCBDHM CO[C@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591355404 1167229742 /nfs/dbraw/zinc/22/97/42/1167229742.db2.gz UJVCYTRLDINDHH-XVKPBYJWSA-N -1 3 319.325 0.971 20 5 DCBDHM CO[C@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591355404 1167229749 /nfs/dbraw/zinc/22/97/49/1167229749.db2.gz UJVCYTRLDINDHH-XVKPBYJWSA-N -1 3 319.325 0.971 20 5 DCBDHM CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001591361727 1167236354 /nfs/dbraw/zinc/23/63/54/1167236354.db2.gz NBHGHRMIQQBGTQ-NSHDSACASA-N -1 3 306.282 0.584 20 5 DCBDHM CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001591361727 1167236362 /nfs/dbraw/zinc/23/63/62/1167236362.db2.gz NBHGHRMIQQBGTQ-NSHDSACASA-N -1 3 306.282 0.584 20 5 DCBDHM COC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591394660 1167263464 /nfs/dbraw/zinc/26/34/64/1167263464.db2.gz YYUQDKSGWHKYNW-MRVPVSSYSA-N -1 3 319.325 0.830 20 5 DCBDHM COC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591394660 1167263467 /nfs/dbraw/zinc/26/34/67/1167263467.db2.gz YYUQDKSGWHKYNW-MRVPVSSYSA-N -1 3 319.325 0.830 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592731699 1167617655 /nfs/dbraw/zinc/61/76/55/1167617655.db2.gz IKBCLMHDEBGFPJ-SSDOTTSWSA-N -1 3 318.297 0.022 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001592757261 1167633416 /nfs/dbraw/zinc/63/34/16/1167633416.db2.gz OPUSAWIPSOBEKV-QMMMGPOBSA-N -1 3 319.325 0.566 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592757261 1167633420 /nfs/dbraw/zinc/63/34/20/1167633420.db2.gz OPUSAWIPSOBEKV-QMMMGPOBSA-N -1 3 319.325 0.566 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC2CCOCC2)c1-c1nnn[n-]1 ZINC001592758105 1167635501 /nfs/dbraw/zinc/63/55/01/1167635501.db2.gz SPIGKEJYCKJFJY-UHFFFAOYSA-N -1 3 305.298 0.948 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NC2CCOCC2)c1-c1nn[n-]n1 ZINC001592758105 1167635503 /nfs/dbraw/zinc/63/55/03/1167635503.db2.gz SPIGKEJYCKJFJY-UHFFFAOYSA-N -1 3 305.298 0.948 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC=C[C@H]1CO ZINC001593480563 1167866715 /nfs/dbraw/zinc/86/67/15/1167866715.db2.gz BSPULSDNZCEMOT-VIFPVBQESA-N -1 3 302.294 0.508 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC=C[C@H]1CO ZINC001593480563 1167866722 /nfs/dbraw/zinc/86/67/22/1167866722.db2.gz BSPULSDNZCEMOT-VIFPVBQESA-N -1 3 302.294 0.508 20 5 DCBDHM O=[N+]([O-])c1ncn(CCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001593487014 1167872330 /nfs/dbraw/zinc/87/23/30/1167872330.db2.gz BYPRTGDJDGNUTE-UHFFFAOYSA-N -1 3 316.281 0.836 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939434 1169444020 /nfs/dbraw/zinc/44/40/20/1169444020.db2.gz UDPZNDLICMWOJY-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939434 1169444023 /nfs/dbraw/zinc/44/40/23/1169444023.db2.gz UDPZNDLICMWOJY-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC001603942085 1169445517 /nfs/dbraw/zinc/44/55/17/1169445517.db2.gz ZBKNIELSOBCGPX-AMIZOPFISA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC001603942085 1169445520 /nfs/dbraw/zinc/44/55/20/1169445520.db2.gz ZBKNIELSOBCGPX-AMIZOPFISA-N -1 3 319.325 0.625 20 5 DCBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)NC ZINC001604063896 1169483783 /nfs/dbraw/zinc/48/37/83/1169483783.db2.gz NPRLTQFRKHEFDU-SECBINFHSA-N -1 3 305.298 0.711 20 5 DCBDHM CCC[C@H](O)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604143759 1169504315 /nfs/dbraw/zinc/50/43/15/1169504315.db2.gz BEFLKVVMSQOGPS-PWSUYJOCSA-N -1 3 322.325 0.709 20 5 DCBDHM COC(=O)C[C@H](O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604930993 1169750402 /nfs/dbraw/zinc/75/04/02/1169750402.db2.gz VUZZHSAZMHYYPQ-QMMMGPOBSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)C[C@H](O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604930993 1169750411 /nfs/dbraw/zinc/75/04/11/1169750411.db2.gz VUZZHSAZMHYYPQ-QMMMGPOBSA-N -1 3 322.281 0.111 20 5 DCBDHM CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001605153813 1169851489 /nfs/dbraw/zinc/85/14/89/1169851489.db2.gz OQCLFJDVACLCBK-ZETCQYMHSA-N -1 3 305.298 0.582 20 5 DCBDHM CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001605153813 1169851496 /nfs/dbraw/zinc/85/14/96/1169851496.db2.gz OQCLFJDVACLCBK-ZETCQYMHSA-N -1 3 305.298 0.582 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@]1(O)CCOC1 ZINC001607084593 1170385226 /nfs/dbraw/zinc/38/52/26/1170385226.db2.gz OIBAJZMJXRWNPZ-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@]1(O)CCOC1 ZINC001607084593 1170385236 /nfs/dbraw/zinc/38/52/36/1170385236.db2.gz OIBAJZMJXRWNPZ-GFCCVEGCSA-N -1 3 306.282 0.338 20 5 DCBDHM O=C([O-])[C@@H]1C[C@H](O)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001608603168 1170714462 /nfs/dbraw/zinc/71/44/62/1170714462.db2.gz YVDMXKZGXFSXDO-WXHSDQCUSA-N -1 3 310.306 0.396 20 5 DCBDHM CC(C)NC(=O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609100014 1170810930 /nfs/dbraw/zinc/81/09/30/1170810930.db2.gz OBVRYRSRVGHWBL-UHFFFAOYSA-N -1 3 306.286 0.106 20 5 DCBDHM CC(C)NC(=O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609100014 1170810935 /nfs/dbraw/zinc/81/09/35/1170810935.db2.gz OBVRYRSRVGHWBL-UHFFFAOYSA-N -1 3 306.286 0.106 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609129217 1170821113 /nfs/dbraw/zinc/82/11/13/1170821113.db2.gz YSDRAQRTEIPBEV-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM CCN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1=O ZINC001609227496 1170881163 /nfs/dbraw/zinc/88/11/63/1170881163.db2.gz AKKREAHEUQBIQS-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1=O ZINC001609227496 1170881175 /nfs/dbraw/zinc/88/11/75/1170881175.db2.gz AKKREAHEUQBIQS-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001609282992 1170911569 /nfs/dbraw/zinc/91/15/69/1170911569.db2.gz DVTBKURIPLYRFG-MRVPVSSYSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O ZINC001609282992 1170911571 /nfs/dbraw/zinc/91/15/71/1170911571.db2.gz DVTBKURIPLYRFG-MRVPVSSYSA-N -1 3 303.282 0.418 20 5 DCBDHM COCC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(N)=O ZINC001609321720 1170933801 /nfs/dbraw/zinc/93/38/01/1170933801.db2.gz MJRBRIUZNIXCMF-VIFPVBQESA-N -1 3 321.297 0.077 20 5 DCBDHM COc1cc(CNCCS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC001620750370 1171406584 /nfs/dbraw/zinc/40/65/84/1171406584.db2.gz WALRLTQPYPDOQU-UHFFFAOYSA-N -1 3 304.324 0.443 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637151511 1171759031 /nfs/dbraw/zinc/75/90/31/1171759031.db2.gz GSXINLLIAGABQP-UHFFFAOYSA-N -1 3 306.282 0.796 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637151511 1171759036 /nfs/dbraw/zinc/75/90/36/1171759036.db2.gz GSXINLLIAGABQP-UHFFFAOYSA-N -1 3 306.282 0.796 20 5 DCBDHM O=C(Nn1nnc2c1CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001652563370 1173771978 /nfs/dbraw/zinc/77/19/78/1173771978.db2.gz RSHSYFWWYVCVIR-UHFFFAOYSA-N -1 3 304.266 0.550 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COC(=O)C2)c([N+](=O)[O-])s1 ZINC001655485243 1173821168 /nfs/dbraw/zinc/82/11/68/1173821168.db2.gz YHVHRQXVWWYIPD-LURJTMIESA-N -1 3 306.321 0.559 20 5 DCBDHM Cn1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001664759112 1174455692 /nfs/dbraw/zinc/45/56/92/1174455692.db2.gz UGFRTATZFIILOC-UHFFFAOYSA-N -1 3 314.298 0.946 20 5 DCBDHM Cc1ccnc(NCC=CCNC(=O)c2cn[n-]n2)c1[N+](=O)[O-] ZINC001107587557 752137268 /nfs/dbraw/zinc/13/72/68/752137268.db2.gz WWCUUQWEANWXOG-NSCUHMNNSA-N -1 3 317.309 0.814 20 5 DCBDHM Cc1n[nH]c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC001125729006 747542709 /nfs/dbraw/zinc/54/27/09/747542709.db2.gz QJAGBSOOTYHEAT-UHFFFAOYSA-N -1 3 319.321 0.852 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)Cn1ccnc1 ZINC001101673033 764239284 /nfs/dbraw/zinc/23/92/84/764239284.db2.gz SVGNELJOUNCGRY-UHFFFAOYSA-N -1 3 320.309 0.462 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1ncccn1 ZINC001101724499 764280474 /nfs/dbraw/zinc/28/04/74/764280474.db2.gz BSVVUCVJUZVATE-UHFFFAOYSA-N -1 3 318.293 0.670 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ncccn1 ZINC001093796794 768729819 /nfs/dbraw/zinc/72/98/19/768729819.db2.gz CUJRHZCHGWGBME-UHFFFAOYSA-N -1 3 304.266 0.327 20 5 DCBDHM Cc1nonc1C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094474689 769079581 /nfs/dbraw/zinc/07/95/81/769079581.db2.gz AMORDODTTMEPQI-UHFFFAOYSA-N -1 3 322.281 0.619 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001164396690 772654551 /nfs/dbraw/zinc/65/45/51/772654551.db2.gz ULKNETZGMFQGML-MRVPVSSYSA-N -1 3 303.282 0.561 20 5 DCBDHM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001226017415 775755963 /nfs/dbraw/zinc/75/59/63/775755963.db2.gz HBGBPRJIVFKKBG-SSDOTTSWSA-N -1 3 312.282 0.350 20 5 DCBDHM C[C@H](C[S@@](C)=O)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603571901 1169325155 /nfs/dbraw/zinc/32/51/55/1169325155.db2.gz KHYPWFDNYCPSFP-WODJRTHDSA-N -1 3 310.339 0.954 20 5 DCBDHM COCCc1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001350474064 955107887 /nfs/dbraw/zinc/10/78/87/955107887.db2.gz JVEQFVHHXDHIRE-UHFFFAOYSA-N -1 3 309.282 0.904 20 5 DCBDHM O=c1[n-]ccc(N2CCN(c3ccnnc3)CC2)c1[N+](=O)[O-] ZINC001307204246 960145166 /nfs/dbraw/zinc/14/51/66/960145166.db2.gz LBDTVLLRWIMKBM-UHFFFAOYSA-N -1 3 302.294 0.812 20 5 DCBDHM C[C@@H]1CN(c2nnc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2C)CCO1 ZINC001525483792 1015150319 /nfs/dbraw/zinc/15/03/19/1015150319.db2.gz NAHMWFVCSRVVNF-MRVPVSSYSA-N -1 3 320.309 0.716 20 5 DCBDHM CN1CC[C@](O)(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001598586196 993386988 /nfs/dbraw/zinc/38/69/88/993386988.db2.gz NUIVRSQYUVDBRS-AWEZNQCLSA-N -1 3 323.305 0.089 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474932301 1017045938 /nfs/dbraw/zinc/04/59/38/1017045938.db2.gz GVQMOJFDZFKXPB-UHFFFAOYSA-N -1 3 308.337 0.806 20 5 DCBDHM CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC001452533439 1006901835 /nfs/dbraw/zinc/90/18/35/1006901835.db2.gz QOTHXDQRHVEDQE-UHFFFAOYSA-N -1 3 323.349 0.829 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001557700852 1012288927 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CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(N)=O ZINC000820028464 607225437 /nfs/dbraw/zinc/22/54/37/607225437.db2.gz ZRUFPESAYYICDC-SNVBAGLBSA-N -1 3 305.298 0.697 20 5 DCBDHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(N)=O ZINC000820028464 607225438 /nfs/dbraw/zinc/22/54/38/607225438.db2.gz ZRUFPESAYYICDC-SNVBAGLBSA-N -1 3 305.298 0.697 20 5 DCBDHM CC(C)OC[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000824309694 607876238 /nfs/dbraw/zinc/87/62/38/607876238.db2.gz VSEKURPKANKTKD-SECBINFHSA-N -1 3 323.309 0.940 20 5 DCBDHM CC(C)OC[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000824309694 607876239 /nfs/dbraw/zinc/87/62/39/607876239.db2.gz VSEKURPKANKTKD-SECBINFHSA-N -1 3 323.309 0.940 20 5 DCBDHM Cc1ccc(-c2nnn[n-]2)c(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000826276647 608299033 /nfs/dbraw/zinc/29/90/33/608299033.db2.gz PRLJFSUGBZWSHI-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1ccc(-c2nn[n-]n2)c(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000826276647 608299034 /nfs/dbraw/zinc/29/90/34/608299034.db2.gz PRLJFSUGBZWSHI-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM COC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC000826149992 609315067 /nfs/dbraw/zinc/31/50/67/609315067.db2.gz UAXQFIUBTGHRDP-VIFPVBQESA-N -1 3 308.298 0.848 20 5 DCBDHM COC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC000826149992 609315069 /nfs/dbraw/zinc/31/50/69/609315069.db2.gz UAXQFIUBTGHRDP-VIFPVBQESA-N -1 3 308.298 0.848 20 5 DCBDHM Cn1ccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000779634333 668922084 /nfs/dbraw/zinc/92/20/84/668922084.db2.gz LWTZCCHPCYHDEQ-UHFFFAOYSA-N -1 3 314.298 0.946 20 5 DCBDHM C[C@@](O)(CO)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592365 670699629 /nfs/dbraw/zinc/69/96/29/670699629.db2.gz YGKDEQUUUOZFLZ-NSHDSACASA-N -1 3 320.248 0.426 20 5 DCBDHM CCOC(=O)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC12COC2 ZINC000853651092 671255781 /nfs/dbraw/zinc/25/57/81/671255781.db2.gz PXXDBCLBKVMLAK-SECBINFHSA-N -1 3 323.305 0.711 20 5 DCBDHM CCOC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC12COC2 ZINC000853651093 671255991 /nfs/dbraw/zinc/25/59/91/671255991.db2.gz PXXDBCLBKVMLAK-VIFPVBQESA-N -1 3 323.305 0.711 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001576365095 1164315964 /nfs/dbraw/zinc/31/59/64/1164315964.db2.gz NYIVDDPJPHNOST-OIBJUYFYSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001576365095 1164315970 /nfs/dbraw/zinc/31/59/70/1164315970.db2.gz NYIVDDPJPHNOST-OIBJUYFYSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589903596 1166713806 /nfs/dbraw/zinc/71/38/06/1166713806.db2.gz GELSZZNUPKCBQO-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589903596 1166713811 /nfs/dbraw/zinc/71/38/11/1166713811.db2.gz GELSZZNUPKCBQO-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM CC1(C)OC[C@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001590115934 1166779893 /nfs/dbraw/zinc/77/98/93/1166779893.db2.gz YZIQUJXPPRFXHW-QMMMGPOBSA-N -1 3 321.297 0.733 20 5 DCBDHM CC1(C)OC[C@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001590115934 1166779898 /nfs/dbraw/zinc/77/98/98/1166779898.db2.gz YZIQUJXPPRFXHW-QMMMGPOBSA-N -1 3 321.297 0.733 20 5 DCBDHM CC1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001590150624 1166789236 /nfs/dbraw/zinc/78/92/36/1166789236.db2.gz TZUKXLHQJXCNDW-UHFFFAOYSA-N -1 3 319.325 0.708 20 5 DCBDHM CC1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001590150624 1166789244 /nfs/dbraw/zinc/78/92/44/1166789244.db2.gz TZUKXLHQJXCNDW-UHFFFAOYSA-N -1 3 319.325 0.708 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[C@@H]1O ZINC001590316936 1166859915 /nfs/dbraw/zinc/85/99/15/1166859915.db2.gz WRMPXVCWFWSISP-XCBNKYQSSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[C@@H]1O ZINC001590316936 1166859919 /nfs/dbraw/zinc/85/99/19/1166859919.db2.gz WRMPXVCWFWSISP-XCBNKYQSSA-N -1 3 319.325 0.564 20 5 DCBDHM CCN1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001590728279 1166982814 /nfs/dbraw/zinc/98/28/14/1166982814.db2.gz BUVZIPIKNISYID-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001590728279 1166982822 /nfs/dbraw/zinc/98/28/22/1166982822.db2.gz BUVZIPIKNISYID-QMMMGPOBSA-N -1 3 317.309 0.808 20 5 DCBDHM CCNC(=O)CN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590740503 1166997572 /nfs/dbraw/zinc/99/75/72/1166997572.db2.gz YZNARAZHNWHONN-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CCNC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590740503 1166997576 /nfs/dbraw/zinc/99/75/76/1166997576.db2.gz YZNARAZHNWHONN-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CN(C)C(=O)CN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591037509 1167090158 /nfs/dbraw/zinc/09/01/58/1167090158.db2.gz LWAHQIXBJGHEDD-UHFFFAOYSA-N -1 3 319.325 0.295 20 5 DCBDHM CN(C)C(=O)CN(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591037509 1167090163 /nfs/dbraw/zinc/09/01/63/1167090163.db2.gz LWAHQIXBJGHEDD-UHFFFAOYSA-N -1 3 319.325 0.295 20 5 DCBDHM CN(Cc1ccon1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591149910 1167117458 /nfs/dbraw/zinc/11/74/58/1167117458.db2.gz HHFDRPIFLFAPSH-UHFFFAOYSA-N -1 3 316.281 0.982 20 5 DCBDHM CN(Cc1ccon1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591149910 1167117468 /nfs/dbraw/zinc/11/74/68/1167117468.db2.gz HHFDRPIFLFAPSH-UHFFFAOYSA-N -1 3 316.281 0.982 20 5 DCBDHM CNC(=O)CCCN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591206931 1167155516 /nfs/dbraw/zinc/15/55/16/1167155516.db2.gz NTQQVBFYDZBEQN-UHFFFAOYSA-N -1 3 320.313 0.132 20 5 DCBDHM CNC(=O)CCCN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591206931 1167155520 /nfs/dbraw/zinc/15/55/20/1167155520.db2.gz NTQQVBFYDZBEQN-UHFFFAOYSA-N -1 3 320.313 0.132 20 5 DCBDHM CO[C@]1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC001591343403 1167224524 /nfs/dbraw/zinc/22/45/24/1167224524.db2.gz SZJLNOLNUHUQNQ-LBPRGKRZSA-N -1 3 321.297 0.387 20 5 DCBDHM CO[C@]1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC001591343403 1167224528 /nfs/dbraw/zinc/22/45/28/1167224528.db2.gz SZJLNOLNUHUQNQ-LBPRGKRZSA-N -1 3 321.297 0.387 20 5 DCBDHM CO[C@@H]1COC[C@H]1NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591472011 1167300520 /nfs/dbraw/zinc/30/05/20/1167300520.db2.gz IXSDETQXDOGCAO-ZYHUDNBSSA-N -1 3 320.309 0.278 20 5 DCBDHM CO[C@@H]1COC[C@H]1NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591472011 1167300522 /nfs/dbraw/zinc/30/05/22/1167300522.db2.gz IXSDETQXDOGCAO-ZYHUDNBSSA-N -1 3 320.309 0.278 20 5 DCBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)N(C)C ZINC001591770900 1167372913 /nfs/dbraw/zinc/37/29/13/1167372913.db2.gz OTMXOOXXDHMLTC-ZETCQYMHSA-N -1 3 305.298 0.664 20 5 DCBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)N(C)C ZINC001591770900 1167372919 /nfs/dbraw/zinc/37/29/19/1167372919.db2.gz OTMXOOXXDHMLTC-ZETCQYMHSA-N -1 3 305.298 0.664 20 5 DCBDHM Cc1cc(NCCn2cnnn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050735 1167447426 /nfs/dbraw/zinc/44/74/26/1167447426.db2.gz DBJUEZMAYUTTJS-UHFFFAOYSA-N -1 3 316.285 0.182 20 5 DCBDHM Cc1cc(NCCn2cnnn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050735 1167447431 /nfs/dbraw/zinc/44/74/31/1167447431.db2.gz DBJUEZMAYUTTJS-UHFFFAOYSA-N -1 3 316.285 0.182 20 5 DCBDHM Cc1nnc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[nH]1 ZINC001592441070 1167524310 /nfs/dbraw/zinc/52/43/10/1167524310.db2.gz PXBUVTHMGMFEHO-RXMQYKEDSA-N -1 3 316.285 0.770 20 5 DCBDHM Cn1cnc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001592587943 1167574677 /nfs/dbraw/zinc/57/46/77/1167574677.db2.gz ZXEXIOFJGSVJOQ-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM NC(=O)c1ccc(Cn2cc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC001592735753 1167623221 /nfs/dbraw/zinc/62/32/21/1167623221.db2.gz HJFQOJGOSUXRJH-UHFFFAOYSA-N -1 3 314.265 0.119 20 5 DCBDHM NC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC001592735753 1167623225 /nfs/dbraw/zinc/62/32/25/1167623225.db2.gz HJFQOJGOSUXRJH-UHFFFAOYSA-N -1 3 314.265 0.119 20 5 DCBDHM O=C1C[C@H](CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1 ZINC001593385530 1167797553 /nfs/dbraw/zinc/79/75/53/1167797553.db2.gz LZNQOJQSHNKIHS-ZETCQYMHSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C1C[C@H](CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1 ZINC001593385530 1167797560 /nfs/dbraw/zinc/79/75/60/1167797560.db2.gz LZNQOJQSHNKIHS-ZETCQYMHSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1 ZINC001593394156 1167807845 /nfs/dbraw/zinc/80/78/45/1167807845.db2.gz ITTNEJOIHYVSIR-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1 ZINC001593394156 1167807850 /nfs/dbraw/zinc/80/78/50/1167807850.db2.gz ITTNEJOIHYVSIR-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1NCCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593407020 1167816502 /nfs/dbraw/zinc/81/65/02/1167816502.db2.gz BDCSVKJMIWWKEA-QMMMGPOBSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593407020 1167816517 /nfs/dbraw/zinc/81/65/17/1167816517.db2.gz BDCSVKJMIWWKEA-QMMMGPOBSA-N -1 3 317.309 0.713 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](CO)C1 ZINC001593467604 1167857851 /nfs/dbraw/zinc/85/78/51/1167857851.db2.gz DICNZAGUFUZIGL-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](CO)C1 ZINC001593467604 1167857857 /nfs/dbraw/zinc/85/78/57/1167857857.db2.gz DICNZAGUFUZIGL-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CCCO)C2)c(-c2nnn[n-]2)c1 ZINC001593486452 1167874266 /nfs/dbraw/zinc/87/42/66/1167874266.db2.gz TXYNYEIELOKJSO-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CCCO)C2)c(-c2nn[n-]n2)c1 ZINC001593486452 1167874271 /nfs/dbraw/zinc/87/42/71/1167874271.db2.gz TXYNYEIELOKJSO-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1CCn1cc([N+](=O)[O-])cn1 ZINC001594341543 1167965876 /nfs/dbraw/zinc/96/58/76/1167965876.db2.gz VAUDJZXKSXOWRP-FOUMNBMASA-N -1 3 324.337 0.886 20 5 DCBDHM Cc1ccc(CNCCC(=O)NCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001600418422 1168182142 /nfs/dbraw/zinc/18/21/42/1168182142.db2.gz DYLRHIRXMUNTGU-UHFFFAOYSA-N -1 3 309.322 0.974 20 5 DCBDHM NC(=O)C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001601149297 1168603627 /nfs/dbraw/zinc/60/36/27/1168603627.db2.gz WSJQWCCIIWCJTE-VIFPVBQESA-N -1 3 307.306 0.990 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC001603910816 1169431948 /nfs/dbraw/zinc/43/19/48/1169431948.db2.gz XVCLIQFFTLTGBL-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC001603910816 1169431950 /nfs/dbraw/zinc/43/19/50/1169431950.db2.gz XVCLIQFFTLTGBL-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H](CCO)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604029992 1169474426 /nfs/dbraw/zinc/47/44/26/1169474426.db2.gz OHVPUANZNMOOMA-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@@H](CCO)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604029992 1169474445 /nfs/dbraw/zinc/47/44/45/1169474445.db2.gz OHVPUANZNMOOMA-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC ZINC001604041069 1169477064 /nfs/dbraw/zinc/47/70/64/1169477064.db2.gz XAYUHYSEAXOTOB-SSDOTTSWSA-N -1 3 321.297 0.781 20 5 DCBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC ZINC001604041069 1169477069 /nfs/dbraw/zinc/47/70/69/1169477069.db2.gz XAYUHYSEAXOTOB-SSDOTTSWSA-N -1 3 321.297 0.781 20 5 DCBDHM CCN(C)C(=O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604267809 1169537948 /nfs/dbraw/zinc/53/79/48/1169537948.db2.gz CCRZOKIGYFSOID-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM CCN(C)C(=O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604267809 1169537951 /nfs/dbraw/zinc/53/79/51/1169537951.db2.gz CCRZOKIGYFSOID-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM COC[C@@](C)(O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605044029 1169793872 /nfs/dbraw/zinc/79/38/72/1169793872.db2.gz HJVQGGRLRSHOQF-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM COC[C@@](C)(O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605044029 1169793874 /nfs/dbraw/zinc/79/38/74/1169793874.db2.gz HJVQGGRLRSHOQF-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605078825 1169810880 /nfs/dbraw/zinc/81/08/80/1169810880.db2.gz MOUGCXWIOWDQTH-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605078825 1169810888 /nfs/dbraw/zinc/81/08/88/1169810888.db2.gz MOUGCXWIOWDQTH-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@@H](O)C1CC1 ZINC001607080516 1170381940 /nfs/dbraw/zinc/38/19/40/1170381940.db2.gz MYVLWDASICNMPV-SNVBAGLBSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@@H](O)C1CC1 ZINC001607080516 1170381941 /nfs/dbraw/zinc/38/19/41/1170381941.db2.gz MYVLWDASICNMPV-SNVBAGLBSA-N -1 3 305.298 0.743 20 5 DCBDHM Cc1cc(N(C)CC(=O)N(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404164 1170967006 /nfs/dbraw/zinc/96/70/06/1170967006.db2.gz GZASBPFMOSCHRO-UHFFFAOYSA-N -1 3 319.325 0.608 20 5 DCBDHM Cc1cc(N(C)CC(=O)N(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404164 1170967013 /nfs/dbraw/zinc/96/70/13/1170967013.db2.gz GZASBPFMOSCHRO-UHFFFAOYSA-N -1 3 319.325 0.608 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCO[C@@H](CF)C1 ZINC001609602749 1171038863 /nfs/dbraw/zinc/03/88/63/1171038863.db2.gz GRHLUSWYGOUOMN-QMMMGPOBSA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCO[C@@H](CF)C1 ZINC001609602749 1171038869 /nfs/dbraw/zinc/03/88/69/1171038869.db2.gz GRHLUSWYGOUOMN-QMMMGPOBSA-N -1 3 308.273 0.950 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCN1CCOCC1 ZINC001609600489 1171040477 /nfs/dbraw/zinc/04/04/77/1171040477.db2.gz MLTFVPMAHUNPEM-UHFFFAOYSA-N -1 3 319.325 0.519 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCN1CCOCC1 ZINC001609600489 1171040485 /nfs/dbraw/zinc/04/04/85/1171040485.db2.gz MLTFVPMAHUNPEM-UHFFFAOYSA-N -1 3 319.325 0.519 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)c1cc([N+](=O)[O-])ccc1F ZINC001630632118 1171576765 /nfs/dbraw/zinc/57/67/65/1171576765.db2.gz QNRHOQYNGRFZKJ-MRVPVSSYSA-N -1 3 308.269 0.976 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001642448548 1171946132 /nfs/dbraw/zinc/94/61/32/1171946132.db2.gz MARCQMNPWWWNTM-VIFPVBQESA-N -1 3 320.305 0.845 20 5 DCBDHM Cc1cc(Cl)c(C(=O)NN2CC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC001654198264 1173801591 /nfs/dbraw/zinc/80/15/91/1173801591.db2.gz XAXXFKKROGGKBR-UHFFFAOYSA-N -1 3 312.669 0.753 20 5 DCBDHM COCC[C@H](CO)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001655115846 1173815750 /nfs/dbraw/zinc/81/57/50/1173815750.db2.gz VOOPXOWBNPJULQ-MRVPVSSYSA-N -1 3 324.380 0.640 20 5 DCBDHM COC(=O)C1(O)CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001665514622 1174528895 /nfs/dbraw/zinc/52/88/95/1174528895.db2.gz LYSNFDXSILSMKM-UHFFFAOYSA-N -1 3 312.278 0.029 20 5 DCBDHM Cc1nc(NCC=CCNC(=O)c2cn[n-]n2)ccc1[N+](=O)[O-] ZINC001107586702 752137280 /nfs/dbraw/zinc/13/72/80/752137280.db2.gz HYBKHUGJNURPBY-NSCUHMNNSA-N -1 3 317.309 0.814 20 5 DCBDHM COCC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057080988 757090729 /nfs/dbraw/zinc/09/07/29/757090729.db2.gz BMSJPVOZSYPYRH-UHFFFAOYSA-N -1 3 310.310 0.381 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCOCC1 ZINC001101499027 764118779 /nfs/dbraw/zinc/11/87/79/764118779.db2.gz NYWGSZOJZASGGZ-UHFFFAOYSA-N -1 3 324.337 0.992 20 5 DCBDHM CC(C)(CCc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1)[N+](=O)[O-] ZINC001118230179 766261059 /nfs/dbraw/zinc/26/10/59/766261059.db2.gz NRXKEPYRDUUKQW-ZETCQYMHSA-N -1 3 304.328 0.422 20 5 DCBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144501889 766960309 /nfs/dbraw/zinc/96/03/09/766960309.db2.gz DGLYMIPSKHNGOC-VIFPVBQESA-N -1 3 320.309 0.545 20 5 DCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144501894 766960512 /nfs/dbraw/zinc/96/05/12/766960512.db2.gz DKFZWINQOWYAFM-MRVPVSSYSA-N -1 3 305.294 0.992 20 5 DCBDHM O=C(CC1(O)CCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093597128 768653990 /nfs/dbraw/zinc/65/39/90/768653990.db2.gz BURXEUSIYJMAHX-UHFFFAOYSA-N -1 3 310.310 0.529 20 5 DCBDHM Cc1n[nH]c(C)c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093802838 768731296 /nfs/dbraw/zinc/73/12/96/768731296.db2.gz PQMHOEQIZCGZOC-UHFFFAOYSA-N -1 3 320.309 0.877 20 5 DCBDHM CCn1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])nn1 ZINC001093816475 768751242 /nfs/dbraw/zinc/75/12/42/768751242.db2.gz RMKNKDTUPPGFJT-UHFFFAOYSA-N -1 3 321.297 0.149 20 5 DCBDHM Cn1cc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001094306105 768959134 /nfs/dbraw/zinc/95/91/34/768959134.db2.gz MAUSGVNOGJGBPC-UHFFFAOYSA-N -1 3 320.309 0.661 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCOCC1 ZINC001094375945 769036434 /nfs/dbraw/zinc/03/64/34/769036434.db2.gz WNHSFLUNKITMAJ-UHFFFAOYSA-N -1 3 322.321 0.960 20 5 DCBDHM Nc1nc(=O)c2sc(=O)[n-]c2n1-c1ncc([N+](=O)[O-])cn1 ZINC001163039306 772448127 /nfs/dbraw/zinc/44/81/27/772448127.db2.gz DDSVRSKLMHGEDZ-UHFFFAOYSA-N -1 3 307.251 0.071 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(CO)CO)c([N+](=O)[O-])s1 ZINC001190579905 772647049 /nfs/dbraw/zinc/64/70/49/772647049.db2.gz YLODVYBBTRFHHG-UHFFFAOYSA-N -1 3 324.380 0.234 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])ncc1NCCCc1c[n-][nH]c1=O ZINC001164393511 772654114 /nfs/dbraw/zinc/65/41/14/772654114.db2.gz AORLLRFBLGSNRL-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM CS(C)(=O)=NS(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC001208481224 773473791 /nfs/dbraw/zinc/47/37/91/773473791.db2.gz KEYMAUNVAORDLH-UHFFFAOYSA-N -1 3 321.380 0.699 20 5 DCBDHM O=c1[n-]ccc(N2CCC[C@@H](n3cc(CO)nn3)C2)c1[N+](=O)[O-] ZINC001327715767 948604403 /nfs/dbraw/zinc/60/44/03/948604403.db2.gz XYELLSOOVVTLQN-SNVBAGLBSA-N -1 3 320.309 0.621 20 5 DCBDHM NS(=O)(=O)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001328008177 948687434 /nfs/dbraw/zinc/68/74/34/948687434.db2.gz BJUQPZPFQMLBHP-UHFFFAOYSA-N -1 3 316.339 0.200 20 5 DCBDHM CCc1nc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c[nH]1 ZINC001309921928 960215783 /nfs/dbraw/zinc/21/57/83/960215783.db2.gz VFNFMYHGULYTOE-UHFFFAOYSA-N -1 3 311.323 0.754 20 5 DCBDHM COc1ccc([N+](=O)[O-])c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001454188625 1008990103 /nfs/dbraw/zinc/99/01/03/1008990103.db2.gz XJMDWBSZBAWGHR-SECBINFHSA-N -1 3 320.305 0.845 20 5 DCBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(=O)[n-]cn1 ZINC001543698808 1012522364 /nfs/dbraw/zinc/52/23/64/1012522364.db2.gz BKQBNWNVDLGORQ-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM O=C([N-]N1CCCNC1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000273013626 210393058 /nfs/dbraw/zinc/39/30/58/210393058.db2.gz BKJFDFWYEQURGO-UHFFFAOYSA-N -1 3 322.306 0.660 20 5 DCBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275663952 130358612 /nfs/dbraw/zinc/35/86/12/130358612.db2.gz NFWSDFVDSYNUNW-MRVPVSSYSA-N -1 3 311.323 0.763 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(CO)CCC1 ZINC000164260030 132132428 /nfs/dbraw/zinc/13/24/28/132132428.db2.gz RRFLCUGKWCEFIM-UHFFFAOYSA-N -1 3 316.335 0.797 20 5 DCBDHM COC(=O)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000270795015 395809863 /nfs/dbraw/zinc/80/98/63/395809863.db2.gz HYKIGUBSKALZAG-UHFFFAOYSA-N -1 3 300.292 0.579 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCNC1=O ZINC000051156509 395846919 /nfs/dbraw/zinc/84/69/19/395846919.db2.gz MVBSBLJNONHSCT-SECBINFHSA-N -1 3 313.335 0.460 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCCO)c(Cl)c1 ZINC000052925268 395873610 /nfs/dbraw/zinc/87/36/10/395873610.db2.gz KFLKUVDMUWWSST-UHFFFAOYSA-N -1 3 324.742 0.535 20 5 DCBDHM CCc1n[nH]c(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c1[N+](=O)[O-] ZINC000278449678 396125757 /nfs/dbraw/zinc/12/57/57/396125757.db2.gz HALIBZFXJLSDOR-UHFFFAOYSA-N -1 3 308.254 0.642 20 5 DCBDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000263818885 396233879 /nfs/dbraw/zinc/23/38/79/396233879.db2.gz PLPXMYFDRCOENE-SSDOTTSWSA-N -1 3 317.298 0.243 20 5 DCBDHM CCN(C)C(=O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000185988521 396338351 /nfs/dbraw/zinc/33/83/51/396338351.db2.gz BKMBRZPDTWCOPN-UHFFFAOYSA-N -1 3 315.351 0.493 20 5 DCBDHM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000268848751 396375078 /nfs/dbraw/zinc/37/50/78/396375078.db2.gz ZGZKRJFQDSXZRP-MRVPVSSYSA-N -1 3 302.308 0.682 20 5 DCBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863680 396695771 /nfs/dbraw/zinc/69/57/71/396695771.db2.gz TVHNYYBODABGLJ-VXGBXAGGSA-N -1 3 321.333 0.582 20 5 DCBDHM O=c1[n-]ccc(NCCCN2CCCS2(=O)=O)c1[N+](=O)[O-] ZINC000596109789 396718502 /nfs/dbraw/zinc/71/85/02/396718502.db2.gz JTRUPMMEZRFFPN-UHFFFAOYSA-N -1 3 316.339 0.533 20 5 DCBDHM COC(=O)c1cn(C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nn1 ZINC000596190030 396729071 /nfs/dbraw/zinc/72/90/71/396729071.db2.gz SQEQREMSSQLBOC-UHFFFAOYSA-N -1 3 320.265 0.135 20 5 DCBDHM COc1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000611814561 396933907 /nfs/dbraw/zinc/93/39/07/396933907.db2.gz PHZWKMNXKHYBRT-QMMMGPOBSA-N -1 3 322.277 0.530 20 5 DCBDHM C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1=O ZINC000289761229 415715330 /nfs/dbraw/zinc/71/53/30/415715330.db2.gz ZEOCMUPUQDFWDD-NSHDSACASA-N -1 3 300.292 0.579 20 5 DCBDHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336839212 415829774 /nfs/dbraw/zinc/82/97/74/415829774.db2.gz OGPSZIKEQVEOEK-MRVPVSSYSA-N -1 3 305.331 0.962 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCC2)c(F)c1 ZINC000158602883 416001984 /nfs/dbraw/zinc/00/19/84/416001984.db2.gz PCMQMXHVXWCSPN-UHFFFAOYSA-N -1 3 304.299 0.927 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-][C@H](C)CN(C)C)c([N+](=O)[O-])n1 ZINC000344896229 416003598 /nfs/dbraw/zinc/00/35/98/416003598.db2.gz GKDZBODKZQGEGI-MRVPVSSYSA-N -1 3 305.360 0.040 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000345358781 416083973 /nfs/dbraw/zinc/08/39/73/416083973.db2.gz VOFCDFCBRUQEMD-MRVPVSSYSA-N -1 3 302.308 0.671 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)n1 ZINC000302869367 416101422 /nfs/dbraw/zinc/10/14/22/416101422.db2.gz XKUAVFIPXOFNIB-ZDUSSCGKSA-N -1 3 305.294 0.477 20 5 DCBDHM COCC[C@@H](CO)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000341410899 416208191 /nfs/dbraw/zinc/20/81/91/416208191.db2.gz ZMSSYAHWRBZTDK-JTQLQIEISA-N -1 3 308.294 1.454 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC ZINC000358501094 416245022 /nfs/dbraw/zinc/24/50/22/416245022.db2.gz NMBWETMKOWCHOE-JTQLQIEISA-N -1 3 318.351 0.843 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cc1 ZINC000228545007 416327872 /nfs/dbraw/zinc/32/78/72/416327872.db2.gz RJDFUPTXEXHVSX-QMMMGPOBSA-N -1 3 314.241 0.796 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000522257084 417057115 /nfs/dbraw/zinc/05/71/15/417057115.db2.gz UGVGIDRJJGFRLQ-LBPRGKRZSA-N -1 3 320.305 0.602 20 5 DCBDHM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000431285562 417116592 /nfs/dbraw/zinc/11/65/92/417116592.db2.gz ZIXNBEOWLANNEB-SECBINFHSA-N -1 3 316.335 0.991 20 5 DCBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1C[C@H](O)CN1 ZINC000423738753 262458751 /nfs/dbraw/zinc/45/87/51/262458751.db2.gz GTYMXOJHTNMUQR-POYBYMJQSA-N -1 3 301.686 0.615 20 5 DCBDHM COc1nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[n-]1 ZINC000272431952 278085533 /nfs/dbraw/zinc/08/55/33/278085533.db2.gz HRXIWLLOVIQZMZ-UHFFFAOYSA-N -1 3 321.249 0.745 20 5 DCBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000331837940 280236994 /nfs/dbraw/zinc/23/69/94/280236994.db2.gz LPLFMNVDYYZKCU-SSDOTTSWSA-N -1 3 310.291 0.033 20 5 DCBDHM C[C@]1(C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000343329501 300810332 /nfs/dbraw/zinc/81/03/32/300810332.db2.gz CMHHDWULTVSPOE-YMTOWFKASA-N -1 3 319.321 0.947 20 5 DCBDHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000332622284 534044460 /nfs/dbraw/zinc/04/44/60/534044460.db2.gz XBWNZXXLJWTGJH-NSHDSACASA-N -1 3 318.289 0.279 20 5 DCBDHM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000183189747 524873786 /nfs/dbraw/zinc/87/37/86/524873786.db2.gz HLZCKFPXQKDEJI-DCXZOGHSSA-N -1 3 306.365 0.640 20 5 DCBDHM CCC1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820966355 599059776 /nfs/dbraw/zinc/05/97/76/599059776.db2.gz CNLBDVWPKSFZES-UHFFFAOYSA-N -1 3 319.325 0.911 20 5 DCBDHM CCC1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820966355 599059778 /nfs/dbraw/zinc/05/97/78/599059778.db2.gz CNLBDVWPKSFZES-UHFFFAOYSA-N -1 3 319.325 0.911 20 5 DCBDHM C[S@](=O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737172856 598628315 /nfs/dbraw/zinc/62/83/15/598628315.db2.gz KTXLVHPFAKSBLW-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM C[S@](=O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737172856 598628313 /nfs/dbraw/zinc/62/83/13/598628313.db2.gz KTXLVHPFAKSBLW-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM COC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736967701 598755802 /nfs/dbraw/zinc/75/58/02/598755802.db2.gz MRDPEPAMLKRWJQ-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736967701 598755803 /nfs/dbraw/zinc/75/58/03/598755803.db2.gz MRDPEPAMLKRWJQ-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM CCN(CC(=O)NC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821165968 606164365 /nfs/dbraw/zinc/16/43/65/606164365.db2.gz ZYSNIGLFPKRHPL-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CCN(CC(=O)NC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821165968 606164367 /nfs/dbraw/zinc/16/43/67/606164367.db2.gz ZYSNIGLFPKRHPL-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CCOC(=O)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825512071 607986962 /nfs/dbraw/zinc/98/69/62/607986962.db2.gz RXBMSYTTWDKJOH-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM CCOC(=O)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825512071 607986963 /nfs/dbraw/zinc/98/69/63/607986963.db2.gz RXBMSYTTWDKJOH-UHFFFAOYSA-N -1 3 306.282 0.774 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCSC[C@H]1CO ZINC000826497440 608232798 /nfs/dbraw/zinc/23/27/98/608232798.db2.gz HMAZQTOYVHCPAE-SECBINFHSA-N -1 3 322.350 0.689 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCSC[C@H]1CO ZINC000826497440 608232800 /nfs/dbraw/zinc/23/28/00/608232800.db2.gz HMAZQTOYVHCPAE-SECBINFHSA-N -1 3 322.350 0.689 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCn1ccnc1 ZINC000826497369 608364943 /nfs/dbraw/zinc/36/49/43/608364943.db2.gz FEKPPPCENZXERI-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCn1ccnc1 ZINC000826497369 608364945 /nfs/dbraw/zinc/36/49/45/608364945.db2.gz FEKPPPCENZXERI-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000805138277 668134139 /nfs/dbraw/zinc/13/41/39/668134139.db2.gz POWWDJFNADYPKW-ZCFIWIBFSA-N -1 3 312.300 0.446 20 5 DCBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cs1 ZINC000768845231 668624760 /nfs/dbraw/zinc/62/47/60/668624760.db2.gz BEQRBNHOIRQEQP-YFKPBYRVSA-N -1 3 320.270 0.858 20 5 DCBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCC[N+](=O)[O-])c(C)o1 ZINC000860917768 671250242 /nfs/dbraw/zinc/25/02/42/671250242.db2.gz PQVGDXXPGBRUCZ-UHFFFAOYSA-N -1 3 306.296 0.320 20 5 DCBDHM C[S@](=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845860131 672279313 /nfs/dbraw/zinc/27/93/13/672279313.db2.gz YJWOMRMEBFNINR-SFHVURJKSA-N -1 3 307.353 0.037 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2OCCCO2)c(-c2nnn[n-]2)c1 ZINC001582804371 1166086983 /nfs/dbraw/zinc/08/69/83/1166086983.db2.gz BUOASQALFNTJOH-UHFFFAOYSA-N -1 3 307.270 0.345 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2OCCCO2)c(-c2nn[n-]n2)c1 ZINC001582804371 1166086988 /nfs/dbraw/zinc/08/69/88/1166086988.db2.gz BUOASQALFNTJOH-UHFFFAOYSA-N -1 3 307.270 0.345 20 5 DCBDHM C[C@@H]1C[C@@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590193665 1166805248 /nfs/dbraw/zinc/80/52/48/1166805248.db2.gz QUHHTPCBFRTHDE-RKDXNWHRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1C[C@@H](CO)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590193665 1166805258 /nfs/dbraw/zinc/80/52/58/1166805258.db2.gz QUHHTPCBFRTHDE-RKDXNWHRSA-N -1 3 319.325 0.625 20 5 DCBDHM CCOC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590783521 1167018250 /nfs/dbraw/zinc/01/82/50/1167018250.db2.gz CFZVSHNEHOBREH-UHFFFAOYSA-N -1 3 305.298 0.785 20 5 DCBDHM CCOC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590783521 1167018258 /nfs/dbraw/zinc/01/82/58/1167018258.db2.gz CFZVSHNEHOBREH-UHFFFAOYSA-N -1 3 305.298 0.785 20 5 DCBDHM CCn1cnnc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590963143 1167061686 /nfs/dbraw/zinc/06/16/86/1167061686.db2.gz RBZJTWXDTQULNI-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(C)C(=O)OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591004607 1167075029 /nfs/dbraw/zinc/07/50/29/1167075029.db2.gz MUPUUKGZNSYWCB-UHFFFAOYSA-N -1 3 321.297 0.885 20 5 DCBDHM CN(C)C(=O)OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591004607 1167075033 /nfs/dbraw/zinc/07/50/33/1167075033.db2.gz MUPUUKGZNSYWCB-UHFFFAOYSA-N -1 3 321.297 0.885 20 5 DCBDHM CN(CC(=O)NC1CC1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591037819 1167088934 /nfs/dbraw/zinc/08/89/34/1167088934.db2.gz QVNBSFUFGWEEBV-UHFFFAOYSA-N -1 3 317.309 0.490 20 5 DCBDHM CN(CC(=O)NC1CC1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591037819 1167088939 /nfs/dbraw/zinc/08/89/39/1167088939.db2.gz QVNBSFUFGWEEBV-UHFFFAOYSA-N -1 3 317.309 0.490 20 5 DCBDHM CN(CC(=O)NC1CC1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591037937 1167090333 /nfs/dbraw/zinc/09/03/33/1167090333.db2.gz SLLYJSHVUHUYPZ-UHFFFAOYSA-N -1 3 317.309 0.490 20 5 DCBDHM CN(CC(=O)NC1CC1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591037937 1167090339 /nfs/dbraw/zinc/09/03/39/1167090339.db2.gz SLLYJSHVUHUYPZ-UHFFFAOYSA-N -1 3 317.309 0.490 20 5 DCBDHM CO[C@@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591355401 1167231757 /nfs/dbraw/zinc/23/17/57/1167231757.db2.gz UJVCYTRLDINDHH-GMSGAONNSA-N -1 3 319.325 0.971 20 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/nfs/dbraw/zinc/63/27/75/1167632775.db2.gz DABRCYLFIRRZDI-UHFFFAOYSA-N -1 3 319.325 0.932 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC2(CO)CCC2)c1-c1nn[n-]n1 ZINC001592756603 1167632780 /nfs/dbraw/zinc/63/27/80/1167632780.db2.gz DABRCYLFIRRZDI-UHFFFAOYSA-N -1 3 319.325 0.932 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCc2ncccn2)c1-c1nnn[n-]1 ZINC001592758418 1167636468 /nfs/dbraw/zinc/63/64/68/1167636468.db2.gz WHIXLMGKRHDAEF-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCc2ncccn2)c1-c1nn[n-]n1 ZINC001592758418 1167636471 /nfs/dbraw/zinc/63/64/71/1167636471.db2.gz WHIXLMGKRHDAEF-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001593470317 1167858952 /nfs/dbraw/zinc/85/89/52/1167858952.db2.gz LMQLOSBQUTXETH-KNVOCYPGSA-N -1 3 309.236 0.871 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001593470317 1167858977 /nfs/dbraw/zinc/85/89/77/1167858977.db2.gz LMQLOSBQUTXETH-KNVOCYPGSA-N -1 3 309.236 0.871 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H](CCCO)C1 ZINC001593469833 1167859662 /nfs/dbraw/zinc/85/96/62/1167859662.db2.gz IDXOMNZQMUUKFU-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H](CCCO)C1 ZINC001593469833 1167859664 /nfs/dbraw/zinc/85/96/64/1167859664.db2.gz IDXOMNZQMUUKFU-SECBINFHSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(NCCCOCCO)ccc1-c1nnn[n-]1 ZINC001593475089 1167863121 /nfs/dbraw/zinc/86/31/21/1167863121.db2.gz YWIPWPIYROCOHR-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)C2CCC2)c(-c2nnn[n-]2)c1 ZINC001593485039 1167867521 /nfs/dbraw/zinc/86/75/21/1167867521.db2.gz OUZWWITZOFKIEE-JTQLQIEISA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)C2CCC2)c(-c2nn[n-]n2)c1 ZINC001593485039 1167867534 /nfs/dbraw/zinc/86/75/34/1167867534.db2.gz OUZWWITZOFKIEE-JTQLQIEISA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001593479857 1167869174 /nfs/dbraw/zinc/86/91/74/1167869174.db2.gz ARPOKCPETDCLKO-XROYCOCOSA-N -1 3 320.309 0.461 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001593479857 1167869182 /nfs/dbraw/zinc/86/91/82/1167869182.db2.gz ARPOKCPETDCLKO-XROYCOCOSA-N -1 3 320.309 0.461 20 5 DCBDHM O=c1cncc(Cl)n1-c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593497457 1167879353 /nfs/dbraw/zinc/87/93/53/1167879353.db2.gz GMAMRTHKLJAOCW-UHFFFAOYSA-N -1 3 319.668 0.974 20 5 DCBDHM O=c1cncc(Cl)n1-c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593497457 1167879359 /nfs/dbraw/zinc/87/93/59/1167879359.db2.gz GMAMRTHKLJAOCW-UHFFFAOYSA-N -1 3 319.668 0.974 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001602403756 1169073836 /nfs/dbraw/zinc/07/38/36/1169073836.db2.gz QQZXKIHSHRGBBB-SNVBAGLBSA-N -1 3 307.306 0.860 20 5 DCBDHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(N)=O ZINC001603151595 1169257548 /nfs/dbraw/zinc/25/75/48/1169257548.db2.gz QCXWTNWNBHLNLU-UHFFFAOYSA-N -1 3 306.286 0.093 20 5 DCBDHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(N)=O ZINC001603151595 1169257554 /nfs/dbraw/zinc/25/75/54/1169257554.db2.gz QCXWTNWNBHLNLU-UHFFFAOYSA-N -1 3 306.286 0.093 20 5 DCBDHM C[C@H](CCO)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603495469 1169313960 /nfs/dbraw/zinc/31/39/60/1169313960.db2.gz PISPDNQEIDLOKW-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@H](CCO)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603495469 1169313975 /nfs/dbraw/zinc/31/39/75/1169313975.db2.gz PISPDNQEIDLOKW-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@@H](Cn1ccnc1)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603591047 1169330843 /nfs/dbraw/zinc/33/08/43/1169330843.db2.gz SPVDAYLUORATQC-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@@H](Cn1ccnc1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603591047 1169330850 /nfs/dbraw/zinc/33/08/50/1169330850.db2.gz SPVDAYLUORATQC-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@H]1CC(=O)NN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603843204 1169410420 /nfs/dbraw/zinc/41/04/20/1169410420.db2.gz WWVDVHNTDPBTBG-ZETCQYMHSA-N -1 3 303.282 0.400 20 5 DCBDHM C[C@H]1CC(=O)NN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603843204 1169410423 /nfs/dbraw/zinc/41/04/23/1169410423.db2.gz WWVDVHNTDPBTBG-ZETCQYMHSA-N -1 3 303.282 0.400 20 5 DCBDHM CC[C@H](CCO)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604029991 1169474689 /nfs/dbraw/zinc/47/46/89/1169474689.db2.gz OHVPUANZNMOOMA-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@H](CCO)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604029991 1169474692 /nfs/dbraw/zinc/47/46/92/1169474692.db2.gz OHVPUANZNMOOMA-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC ZINC001604041070 1169476861 /nfs/dbraw/zinc/47/68/61/1169476861.db2.gz XAYUHYSEAXOTOB-ZETCQYMHSA-N -1 3 321.297 0.781 20 5 DCBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC ZINC001604041070 1169476864 /nfs/dbraw/zinc/47/68/64/1169476864.db2.gz XAYUHYSEAXOTOB-ZETCQYMHSA-N -1 3 321.297 0.781 20 5 DCBDHM CC[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001604093351 1169489490 /nfs/dbraw/zinc/48/94/90/1169489490.db2.gz AEIZHMCZDWFKBD-CYBMUJFWSA-N -1 3 319.325 0.708 20 5 DCBDHM CC[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001604093351 1169489493 /nfs/dbraw/zinc/48/94/93/1169489493.db2.gz AEIZHMCZDWFKBD-CYBMUJFWSA-N -1 3 319.325 0.708 20 5 DCBDHM CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1=O ZINC001604855840 1169712173 /nfs/dbraw/zinc/71/21/73/1169712173.db2.gz PDKREJNAAJQNMT-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM CNC(=O)[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)C ZINC001604886532 1169733007 /nfs/dbraw/zinc/73/30/07/1169733007.db2.gz FIKHJYHIFNDSKX-NSHDSACASA-N -1 3 319.325 0.957 20 5 DCBDHM CO[C@](C)(CO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604999445 1169772740 /nfs/dbraw/zinc/77/27/40/1169772740.db2.gz HKCUFZAFTMLMIT-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@](C)(CO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604999445 1169772750 /nfs/dbraw/zinc/77/27/50/1169772750.db2.gz HKCUFZAFTMLMIT-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM C[C@H](O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609129216 1170820324 /nfs/dbraw/zinc/82/03/24/1170820324.db2.gz YSDRAQRTEIPBEV-DTWKUNHWSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609153465 1170827568 /nfs/dbraw/zinc/82/75/68/1170827568.db2.gz VDHCZQUDXOLBNU-SSDOTTSWSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1C(=O)N(C)CN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609153630 1170828036 /nfs/dbraw/zinc/82/80/36/1170828036.db2.gz YVXIPZVNJWYXRK-QMMMGPOBSA-N -1 3 317.309 0.395 20 5 DCBDHM C[C@H]1C(=O)N(C)CN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609153630 1170828042 /nfs/dbraw/zinc/82/80/42/1170828042.db2.gz YVXIPZVNJWYXRK-QMMMGPOBSA-N -1 3 317.309 0.395 20 5 DCBDHM CN(C)C(=O)CCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609263595 1170902042 /nfs/dbraw/zinc/90/20/42/1170902042.db2.gz UTLXYDKHYCEKOE-UHFFFAOYSA-N -1 3 320.313 0.450 20 5 DCBDHM CN(C)C(=O)CCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609263595 1170902043 /nfs/dbraw/zinc/90/20/43/1170902043.db2.gz UTLXYDKHYCEKOE-UHFFFAOYSA-N -1 3 320.313 0.450 20 5 DCBDHM COCCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609323319 1170938178 /nfs/dbraw/zinc/93/81/78/1170938178.db2.gz RRVKFYJQTFBOKE-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM COCCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609323319 1170938184 /nfs/dbraw/zinc/93/81/84/1170938184.db2.gz RRVKFYJQTFBOKE-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM Cc1cc(N(C)CCOCCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404177 1170967225 /nfs/dbraw/zinc/96/72/25/1170967225.db2.gz HKNDYGDEVAQBIM-UHFFFAOYSA-N -1 3 322.325 0.528 20 5 DCBDHM Cc1cc(N(C)CCOCCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404177 1170967230 /nfs/dbraw/zinc/96/72/30/1170967230.db2.gz HKNDYGDEVAQBIM-UHFFFAOYSA-N -1 3 322.325 0.528 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001609479725 1170994086 /nfs/dbraw/zinc/99/40/86/1170994086.db2.gz KGZVTSOZVKBTJY-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001609479725 1170994091 /nfs/dbraw/zinc/99/40/91/1170994091.db2.gz KGZVTSOZVKBTJY-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM O=C1NCCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609590373 1171033617 /nfs/dbraw/zinc/03/36/17/1171033617.db2.gz SNAKMMMRKFQTBJ-LLVKDONJSA-N -1 3 317.309 0.856 20 5 DCBDHM O=C1NCCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609590373 1171033625 /nfs/dbraw/zinc/03/36/25/1171033625.db2.gz SNAKMMMRKFQTBJ-LLVKDONJSA-N -1 3 317.309 0.856 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001609602648 1171039969 /nfs/dbraw/zinc/03/99/69/1171039969.db2.gz BHLCLALUNOAUGU-MYJAWHEDSA-N -1 3 302.294 0.449 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001609602648 1171039977 /nfs/dbraw/zinc/03/99/77/1171039977.db2.gz BHLCLALUNOAUGU-MYJAWHEDSA-N -1 3 302.294 0.449 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@]1(O)CCOC1 ZINC001609601607 1171040557 /nfs/dbraw/zinc/04/05/57/1171040557.db2.gz PXHRKPIODRZNQR-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@]1(O)CCOC1 ZINC001609601607 1171040564 /nfs/dbraw/zinc/04/05/64/1171040564.db2.gz PXHRKPIODRZNQR-LBPRGKRZSA-N -1 3 306.282 0.338 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001627152996 1171499108 /nfs/dbraw/zinc/49/91/08/1171499108.db2.gz LGLYYBJYDKFMPZ-NWDGAFQWSA-N -1 3 320.305 0.256 20 5 DCBDHM CNc1c(C(=O)NCCCc2c[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC001634143075 1171662947 /nfs/dbraw/zinc/66/29/47/1171662947.db2.gz CZVVXZWGHJHNPL-VIFPVBQESA-N -1 3 319.321 0.878 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(n3cccn3)CC2)nc1 ZINC001664470234 1174435148 /nfs/dbraw/zinc/43/51/48/1174435148.db2.gz VVEILZLFHKYCRW-UHFFFAOYSA-N -1 3 323.334 0.654 20 5 DCBDHM CCCN(CCNC(=O)COC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101073170 750057046 /nfs/dbraw/zinc/05/70/46/750057046.db2.gz XWGULNFWZDIJPB-UHFFFAOYSA-N -1 3 312.326 0.674 20 5 DCBDHM CCOCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096986606 755567227 /nfs/dbraw/zinc/56/72/27/755567227.db2.gz RNNWWBLBAOEHHB-KYZUINATSA-N -1 3 310.310 0.791 20 5 DCBDHM Cc1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC001093499618 768580002 /nfs/dbraw/zinc/58/00/02/768580002.db2.gz CCXVUGONTJUYET-UHFFFAOYSA-N -1 3 307.266 0.834 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccncn1 ZINC001094535322 769098689 /nfs/dbraw/zinc/09/86/89/769098689.db2.gz UEJYEPGFQNOUAZ-UHFFFAOYSA-N -1 3 318.293 0.717 20 5 DCBDHM COc1cc2ncnc(-n3[n-]c(=O)nc3CN)c2cc1[N+](=O)[O-] ZINC001157934372 771696878 /nfs/dbraw/zinc/69/68/78/771696878.db2.gz WFLAFWPURYWTIX-UHFFFAOYSA-N -1 3 317.265 0.292 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001164371129 772651441 /nfs/dbraw/zinc/65/14/41/772651441.db2.gz VNOAAKCWBMJZQG-ZETCQYMHSA-N -1 3 313.701 0.806 20 5 DCBDHM Cn1nccc1[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001594595245 956079221 /nfs/dbraw/zinc/07/92/21/956079221.db2.gz LSORMOSFEUMODA-STQMWFEESA-N -1 3 320.305 0.777 20 5 DCBDHM C[C@@](NCCn1cncn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286385 994643649 /nfs/dbraw/zinc/64/36/49/994643649.db2.gz RLOYECOIRINVQR-ZDUSSCGKSA-N -1 3 305.294 0.776 20 5 DCBDHM COC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474993065 1017051660 /nfs/dbraw/zinc/05/16/60/1017051660.db2.gz IKGRKVUQHFXSRC-JTQLQIEISA-N -1 3 324.380 0.640 20 5 DCBDHM O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186686244 237323271 /nfs/dbraw/zinc/32/32/71/237323271.db2.gz VFRZJLDKOUVOMK-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C1CCCN1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566917424 291329207 /nfs/dbraw/zinc/32/92/07/291329207.db2.gz ANAFTRIPIJAXFL-UHFFFAOYSA-N -1 3 313.335 0.496 20 5 DCBDHM COc1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)ccc1[N+](=O)[O-] ZINC000271785382 209213798 /nfs/dbraw/zinc/21/37/98/209213798.db2.gz FPCJGJYILOPGMB-UHFFFAOYSA-N -1 3 308.250 0.142 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000346243681 254027644 /nfs/dbraw/zinc/02/76/44/254027644.db2.gz AMMKLBGNCSRFIN-UHFFFAOYSA-N -1 3 308.254 0.019 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]1 ZINC000346243681 254027646 /nfs/dbraw/zinc/02/76/46/254027646.db2.gz AMMKLBGNCSRFIN-UHFFFAOYSA-N -1 3 308.254 0.019 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)n[n-]1 ZINC000346243681 254027648 /nfs/dbraw/zinc/02/76/48/254027648.db2.gz AMMKLBGNCSRFIN-UHFFFAOYSA-N -1 3 308.254 0.019 20 5 DCBDHM CC(C)OC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000107514315 395785789 /nfs/dbraw/zinc/78/57/89/395785789.db2.gz FJMZTASNCLFICR-UHFFFAOYSA-N -1 3 302.308 0.825 20 5 DCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000071270579 396111676 /nfs/dbraw/zinc/11/16/76/396111676.db2.gz 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ZINC001590316937 1166861272 /nfs/dbraw/zinc/86/12/72/1166861272.db2.gz WRMPXVCWFWSISP-XVKPBYJWSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[C@@H]1O ZINC001590316937 1166861273 /nfs/dbraw/zinc/86/12/73/1166861273.db2.gz WRMPXVCWFWSISP-XVKPBYJWSA-N -1 3 319.325 0.564 20 5 DCBDHM CCNC(=O)CN(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590740231 1166998188 /nfs/dbraw/zinc/99/81/88/1166998188.db2.gz LMTBFDVBRLCATR-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CCNC(=O)CN(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590740231 1166998195 /nfs/dbraw/zinc/99/81/95/1166998195.db2.gz LMTBFDVBRLCATR-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CN(C[C@H]1CCC[C@@H]1O)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591055473 1167097810 /nfs/dbraw/zinc/09/78/10/1167097810.db2.gz HJZYUWZKNDMZOJ-KCJUWKMLSA-N -1 3 319.325 0.767 20 5 DCBDHM CN(C[C@H]1CCC[C@@H]1O)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591055473 1167097819 /nfs/dbraw/zinc/09/78/19/1167097819.db2.gz HJZYUWZKNDMZOJ-KCJUWKMLSA-N -1 3 319.325 0.767 20 5 DCBDHM CN1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1=O ZINC001591195561 1167145170 /nfs/dbraw/zinc/14/51/70/1167145170.db2.gz SKDYFNLNXQJFPR-QMMMGPOBSA-N -1 3 303.282 0.418 20 5 DCBDHM C[S@@](=O)c1nncn1-c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591683545 1167351450 /nfs/dbraw/zinc/35/14/50/1167351450.db2.gz FYQJLIJBWJAURO-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@@](=O)c1nncn1-c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591683545 1167351456 /nfs/dbraw/zinc/35/14/56/1167351456.db2.gz FYQJLIJBWJAURO-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000263 1167432259 /nfs/dbraw/zinc/43/22/59/1167432259.db2.gz SVUPVWLVXSBMEY-OTYXRUKQSA-N -1 3 316.321 0.902 20 5 DCBDHM Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000263 1167432262 /nfs/dbraw/zinc/43/22/62/1167432262.db2.gz SVUPVWLVXSBMEY-OTYXRUKQSA-N -1 3 316.321 0.902 20 5 DCBDHM Cc1cc(N2C[C@H](O)C[C@H](O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592010005 1167434694 /nfs/dbraw/zinc/43/46/94/1167434694.db2.gz ALXSIUIVQIXZQM-DTORHVGOSA-N -1 3 320.309 0.015 20 5 DCBDHM Cc1cc(N2C[C@H](O)C[C@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592010005 1167434699 /nfs/dbraw/zinc/43/46/99/1167434699.db2.gz ALXSIUIVQIXZQM-DTORHVGOSA-N -1 3 320.309 0.015 20 5 DCBDHM Cc1cc(NC[C@@H](O)[C@@H](C)O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042074 1167444231 /nfs/dbraw/zinc/44/42/31/1167444231.db2.gz WUNGYANWWMPJRU-RDDDGLTNSA-N -1 3 308.298 0.237 20 5 DCBDHM Cc1cc(NC[C@@H](O)[C@@H](C)O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042074 1167444237 /nfs/dbraw/zinc/44/42/37/1167444237.db2.gz WUNGYANWWMPJRU-RDDDGLTNSA-N -1 3 308.298 0.237 20 5 DCBDHM Cc1nnc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[nH]1 ZINC001592440562 1167522263 /nfs/dbraw/zinc/52/22/63/1167522263.db2.gz HDHMBTMOIZSKEH-RXMQYKEDSA-N -1 3 316.285 0.770 20 5 DCBDHM Cc1nnc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1N ZINC001592449518 1167526996 /nfs/dbraw/zinc/52/69/96/1167526996.db2.gz DOCJWEUVBNTWIQ-UHFFFAOYSA-N -1 3 319.310 0.540 20 5 DCBDHM Cc1nnc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1N ZINC001592449518 1167527003 /nfs/dbraw/zinc/52/70/03/1167527003.db2.gz DOCJWEUVBNTWIQ-UHFFFAOYSA-N -1 3 319.310 0.540 20 5 DCBDHM O=C(NOCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001593170680 1167730832 /nfs/dbraw/zinc/73/08/32/1167730832.db2.gz KKSWHHZHJNNARA-UHFFFAOYSA-N -1 3 304.266 0.733 20 5 DCBDHM O=C(NOCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001593170680 1167730835 /nfs/dbraw/zinc/73/08/35/1167730835.db2.gz KKSWHHZHJNNARA-UHFFFAOYSA-N -1 3 304.266 0.733 20 5 DCBDHM O=[N+]([O-])c1cc(N2C[C@H]3C[C@@]3(CO)C2)ccc1-c1nnn[n-]1 ZINC001593470272 1167857168 /nfs/dbraw/zinc/85/71/68/1167857168.db2.gz BLUGKCISLQQDST-OQPBUACISA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001593469798 1167857277 /nfs/dbraw/zinc/85/72/77/1167857277.db2.gz HQFFPLBVAAGSNG-DTORHVGOSA-N -1 3 303.282 0.253 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001593469798 1167857281 /nfs/dbraw/zinc/85/72/81/1167857281.db2.gz HQFFPLBVAAGSNG-DTORHVGOSA-N -1 3 303.282 0.253 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H](O)[C@H]1CCCO1 ZINC001593476051 1167864235 /nfs/dbraw/zinc/86/42/35/1167864235.db2.gz UGRHGUWXLQSJCL-NWDGAFQWSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H](O)[C@H]1CCCO1 ZINC001593476051 1167864255 /nfs/dbraw/zinc/86/42/55/1167864255.db2.gz UGRHGUWXLQSJCL-NWDGAFQWSA-N -1 3 320.309 0.727 20 5 DCBDHM CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602940907 1169214854 /nfs/dbraw/zinc/21/48/54/1169214854.db2.gz QUUJPXURQFUNOS-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602940907 1169214860 /nfs/dbraw/zinc/21/48/60/1169214860.db2.gz QUUJPXURQFUNOS-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM C[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001603911079 1169431327 /nfs/dbraw/zinc/43/13/27/1169431327.db2.gz ZFKDSQZJNYFZHB-XVKPBYJWSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001603911079 1169431329 /nfs/dbraw/zinc/43/13/29/1169431329.db2.gz ZFKDSQZJNYFZHB-XVKPBYJWSA-N -1 3 305.298 0.377 20 5 DCBDHM Cn1cc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])nn1 ZINC001606238498 1170132973 /nfs/dbraw/zinc/13/29/73/1170132973.db2.gz DDHHXHZMQDOQDK-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])nn1 ZINC001606238498 1170132975 /nfs/dbraw/zinc/13/29/75/1170132975.db2.gz DDHHXHZMQDOQDK-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCc2cnccn2)c1-c1nnn[n-]1 ZINC001606451975 1170207144 /nfs/dbraw/zinc/20/71/44/1170207144.db2.gz VOMYTQHAHIZARP-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCc2cnccn2)c1-c1nn[n-]n1 ZINC001606451975 1170207148 /nfs/dbraw/zinc/20/71/48/1170207148.db2.gz VOMYTQHAHIZARP-UHFFFAOYSA-N -1 3 313.281 0.759 20 5 DCBDHM O=C(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)N1CCCO1 ZINC001606557835 1170234008 /nfs/dbraw/zinc/23/40/08/1170234008.db2.gz AHCPMAKLTVICPU-UHFFFAOYSA-N -1 3 319.281 0.351 20 5 DCBDHM O=C(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)N1CCCO1 ZINC001606557835 1170234011 /nfs/dbraw/zinc/23/40/11/1170234011.db2.gz AHCPMAKLTVICPU-UHFFFAOYSA-N -1 3 319.281 0.351 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](CO)CC1 ZINC001607080024 1170382347 /nfs/dbraw/zinc/38/23/47/1170382347.db2.gz GIQKKFSTHHQRGZ-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](CO)CC1 ZINC001607080024 1170382349 /nfs/dbraw/zinc/38/23/49/1170382349.db2.gz GIQKKFSTHHQRGZ-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001609175518 1170844324 /nfs/dbraw/zinc/84/43/24/1170844324.db2.gz SNLNDXPYARYVOY-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC(=O)N1 ZINC001609175518 1170844328 /nfs/dbraw/zinc/84/43/28/1170844328.db2.gz SNLNDXPYARYVOY-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM CCN(CC(N)=O)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609221872 1170877149 /nfs/dbraw/zinc/87/71/49/1170877149.db2.gz BAQQJZMGOGVJBA-UHFFFAOYSA-N -1 3 305.298 0.082 20 5 DCBDHM CCN(CC(N)=O)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609221872 1170877158 /nfs/dbraw/zinc/87/71/58/1170877158.db2.gz BAQQJZMGOGVJBA-UHFFFAOYSA-N -1 3 305.298 0.082 20 5 DCBDHM COC(=O)C1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609294521 1170917584 /nfs/dbraw/zinc/91/75/84/1170917584.db2.gz ONRZWKHAVKPRLV-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)C1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609294521 1170917590 /nfs/dbraw/zinc/91/75/90/1170917590.db2.gz ONRZWKHAVKPRLV-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM Cc1cc(N2CC(=O)N[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404821 1170966601 /nfs/dbraw/zinc/96/66/01/1170966601.db2.gz LTRXMHNIPKDRTE-QMMMGPOBSA-N -1 3 317.309 0.408 20 5 DCBDHM Cc1cc(N2CC(=O)N[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404821 1170966604 /nfs/dbraw/zinc/96/66/04/1170966604.db2.gz LTRXMHNIPKDRTE-QMMMGPOBSA-N -1 3 317.309 0.408 20 5 DCBDHM NC(=O)C[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609502025 1171001962 /nfs/dbraw/zinc/00/19/62/1171001962.db2.gz AJVWQEXJYZXWON-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609502025 1171001970 /nfs/dbraw/zinc/00/19/70/1171001970.db2.gz AJVWQEXJYZXWON-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM O=C1NCCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609590374 1171034164 /nfs/dbraw/zinc/03/41/64/1171034164.db2.gz SNAKMMMRKFQTBJ-NSHDSACASA-N -1 3 317.309 0.856 20 5 DCBDHM O=C1NCCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609590374 1171034172 /nfs/dbraw/zinc/03/41/72/1171034172.db2.gz SNAKMMMRKFQTBJ-NSHDSACASA-N -1 3 317.309 0.856 20 5 DCBDHM O=C(Nc1ccc2nncn2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001623824989 1171444704 /nfs/dbraw/zinc/44/47/04/1171444704.db2.gz LQBPSKFVIJXOOO-UHFFFAOYSA-N -1 3 300.234 0.990 20 5 DCBDHM COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001634139120 1171663295 /nfs/dbraw/zinc/66/32/95/1171663295.db2.gz YZJIJFXLRZWMQI-JTQLQIEISA-N -1 3 320.305 0.845 20 5 DCBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001648022285 1173063952 /nfs/dbraw/zinc/06/39/52/1173063952.db2.gz SXCVOFCBHWGOFQ-UHFFFAOYSA-N -1 3 318.293 0.446 20 5 DCBDHM O=c1[n-]ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001652198134 1173765000 /nfs/dbraw/zinc/76/50/00/1173765000.db2.gz RYRNVNKPCULAIC-IUCAKERBSA-N -1 3 313.335 0.566 20 5 DCBDHM O=c1cc(N2CC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)nc[n-]1 ZINC001652303239 1173767158 /nfs/dbraw/zinc/76/71/58/1173767158.db2.gz NWHAYXXPNZQOFS-SECBINFHSA-N -1 3 302.294 0.598 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccns2)nc1 ZINC001656661444 1173876271 /nfs/dbraw/zinc/87/62/71/1173876271.db2.gz CBIVOORYLQPQTB-UHFFFAOYSA-N -1 3 314.348 0.967 20 5 DCBDHM CN(CCNC(=O)c1ncccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001705471420 1180394154 /nfs/dbraw/zinc/39/41/54/1180394154.db2.gz GDUHLCHNDGCTEX-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM COCC(=O)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127527261 751441893 /nfs/dbraw/zinc/44/18/93/751441893.db2.gz BYXJOAOJUFQKRR-UHFFFAOYSA-N -1 3 322.321 0.595 20 5 DCBDHM COCCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107002146 751735471 /nfs/dbraw/zinc/73/54/71/751735471.db2.gz RCKQTDPJMMCKDW-IHWYPQMZSA-N -1 3 310.310 0.816 20 5 DCBDHM CC(C)(O)CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107143977 751899691 /nfs/dbraw/zinc/89/96/91/751899691.db2.gz YZRYKLANCJZREP-ARJAWSKDSA-N -1 3 324.337 0.941 20 5 DCBDHM Cc1cc([N+](=O)[O-])cnc1NCC=CCNC(=O)c1cn[n-]n1 ZINC001107587729 752137354 /nfs/dbraw/zinc/13/73/54/752137354.db2.gz ZHXNEWVLBUKXIF-IHWYPQMZSA-N -1 3 317.309 0.814 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2OCCCO2)nc1 ZINC001211558045 747433012 /nfs/dbraw/zinc/43/30/12/747433012.db2.gz OYTVVGKXZGUKMN-UHFFFAOYSA-N -1 3 303.296 0.031 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001059880680 749672783 /nfs/dbraw/zinc/67/27/83/749672783.db2.gz XNWLIGSTRIYQPK-DTORHVGOSA-N -1 3 317.309 0.789 20 5 DCBDHM CCOC(=O)c1ccc(-n2[n-]c(=O)nc2CN)c([N+](=O)[O-])c1 ZINC001168761974 754799540 /nfs/dbraw/zinc/79/95/40/754799540.db2.gz ZKUMHCGPGUJWSD-UHFFFAOYSA-N -1 3 307.266 0.517 20 5 DCBDHM CN(CCNC(=O)c1ccnnc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100349621 755675001 /nfs/dbraw/zinc/67/50/01/755675001.db2.gz PBIJTMXSNWIYCK-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM CN(CCNC(=O)c1n[nH]cc1F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100310868 763478580 /nfs/dbraw/zinc/47/85/80/763478580.db2.gz NIHPKMUZYNNZMV-UHFFFAOYSA-N -1 3 324.272 0.424 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cncn1C ZINC001101839425 764366864 /nfs/dbraw/zinc/36/68/64/764366864.db2.gz SBTIWQBGZDGHHF-UHFFFAOYSA-N -1 3 320.309 0.613 20 5 DCBDHM O=C([O-])[C@]1(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC001118951661 766482201 /nfs/dbraw/zinc/48/22/01/766482201.db2.gz JXGPWAVWVQVMTH-HNNXBMFYSA-N -1 3 321.333 0.961 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=COCCC1 ZINC001093519256 768597829 /nfs/dbraw/zinc/59/78/29/768597829.db2.gz UHGZZXHJLSQQBZ-UHFFFAOYSA-N -1 3 308.294 0.918 20 5 DCBDHM Cc1c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cnn1C ZINC001093523556 768600243 /nfs/dbraw/zinc/60/02/43/768600243.db2.gz WYJMTQYPTGAUIS-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM Cc1nocc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094083687 768853871 /nfs/dbraw/zinc/85/38/71/768853871.db2.gz RDOKFMDMSOKDMI-UHFFFAOYSA-N -1 3 307.266 0.834 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=COCCO1 ZINC001094293783 768980320 /nfs/dbraw/zinc/98/03/20/768980320.db2.gz GLWJUTJLYBRKQS-UHFFFAOYSA-N -1 3 324.293 0.502 20 5 DCBDHM O=C([N-][C@@H]1COC[C@@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001150866692 769210179 /nfs/dbraw/zinc/21/01/79/769210179.db2.gz UWPCXBNUGQXELD-ZJUUUORDSA-N -1 3 302.233 0.563 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001154607912 770238555 /nfs/dbraw/zinc/23/85/55/770238555.db2.gz KYSNWJJZQJVYCZ-UHFFFAOYSA-N -1 3 318.293 0.180 20 5 DCBDHM COc1cc(CN[C@@H](C)CS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC001177844336 770562579 /nfs/dbraw/zinc/56/25/79/770562579.db2.gz NDYFVECHJMCIJO-QMMMGPOBSA-N -1 3 318.351 0.832 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162305363 772356800 /nfs/dbraw/zinc/35/68/00/772356800.db2.gz DUWCROUFWSVNTG-MRVPVSSYSA-N -1 3 305.250 0.586 20 5 DCBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cnc2n1CCC2 ZINC001326056485 948036764 /nfs/dbraw/zinc/03/67/64/948036764.db2.gz YGIWKTKXGAATHD-UHFFFAOYSA-N -1 3 324.322 0.438 20 5 DCBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCCOCC1 ZINC001344118218 953416288 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318.293 0.631 20 5 DCBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCc1c[n-][nH]c1=O ZINC001454186990 1008986110 /nfs/dbraw/zinc/98/61/10/1008986110.db2.gz QFSFWTMFVWUWRX-JTQLQIEISA-N -1 3 322.296 0.905 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001454186096 1008986631 /nfs/dbraw/zinc/98/66/31/1008986631.db2.gz LKPCCEMJBQPBGN-QMMMGPOBSA-N -1 3 308.269 0.976 20 5 DCBDHM CNC(=O)NCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001622272119 1171422013 /nfs/dbraw/zinc/42/20/13/1171422013.db2.gz RZQMLGHBAHCTTF-UHFFFAOYSA-N -1 3 322.368 0.172 20 5 DCBDHM CCNC(=O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000340387326 253246793 /nfs/dbraw/zinc/24/67/93/253246793.db2.gz GQGXIZVBHRZYTM-UHFFFAOYSA-N -1 3 301.324 0.318 20 5 DCBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000352109853 254399463 /nfs/dbraw/zinc/39/94/63/254399463.db2.gz NKFNPUUCFSOQPC-JTQLQIEISA-N -1 3 319.277 0.363 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332580074 533218668 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COCCOCCS(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000269167162 396391417 /nfs/dbraw/zinc/39/14/17/396391417.db2.gz VEWMIVNHKHDCIT-UHFFFAOYSA-N -1 3 319.339 0.582 20 5 DCBDHM C[C@@H](O)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269350042 396408625 /nfs/dbraw/zinc/40/86/25/396408625.db2.gz JWEJJAYANWRJNL-SSDOTTSWSA-N -1 3 318.307 0.025 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(N)=O ZINC000291860426 396516206 /nfs/dbraw/zinc/51/62/06/396516206.db2.gz CZMYJLNITGAQLE-MRVPVSSYSA-N -1 3 317.323 0.146 20 5 DCBDHM C[C@H](O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594761112 396508517 /nfs/dbraw/zinc/50/85/17/396508517.db2.gz DSDSVDBMLUIPFK-QMMMGPOBSA-N -1 3 311.319 0.802 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3c(Cl)cncc3[N+](=O)[O-])C[C@H]12 ZINC000596186501 396728672 /nfs/dbraw/zinc/72/86/72/396728672.db2.gz JZWZRQAFEZBNES-MRVPVSSYSA-N -1 3 311.685 0.384 20 5 DCBDHM CCOC[C@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000314842419 396786406 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O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000322642439 159012707 /nfs/dbraw/zinc/01/27/07/159012707.db2.gz YIUUFELKKQGWCT-CQSZACIVSA-N -1 3 318.289 0.409 20 5 DCBDHM CCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(N)=O ZINC000285309199 415612248 /nfs/dbraw/zinc/61/22/48/415612248.db2.gz HYGREUAWXSYWTD-VIFPVBQESA-N -1 3 315.351 0.836 20 5 DCBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000344027669 415822944 /nfs/dbraw/zinc/82/29/44/415822944.db2.gz HCRPWUXNGAQFPM-JTQLQIEISA-N -1 3 322.252 0.110 20 5 DCBDHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344962462 416015848 /nfs/dbraw/zinc/01/58/48/416015848.db2.gz WMMNIJUBZLLETQ-MRVPVSSYSA-N -1 3 305.331 0.962 20 5 DCBDHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228556510 416327965 /nfs/dbraw/zinc/32/79/65/416327965.db2.gz QXYWJIRVTLOFTD-LBPRGKRZSA-N -1 3 318.351 0.661 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000360038857 416368156 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COc1c(C(=O)NCCc2c(C)[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC000526995439 417198668 /nfs/dbraw/zinc/19/86/68/417198668.db2.gz MVQSNHJBRPDDOO-SECBINFHSA-N -1 3 320.305 0.845 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-]C[C@H](C)N(C)C)c([N+](=O)[O-])n1 ZINC000451929514 417418215 /nfs/dbraw/zinc/41/82/15/417418215.db2.gz LZNPSDMSMPNHQR-QMMMGPOBSA-N -1 3 305.360 0.040 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CC(N)=O)c1[N+](=O)[O-] ZINC000360257512 261815389 /nfs/dbraw/zinc/81/53/89/261815389.db2.gz KWVYBGNMCAMHLG-VIFPVBQESA-N -1 3 315.351 0.754 20 5 DCBDHM COC(=O)[C@H](C)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355619563 271017353 /nfs/dbraw/zinc/01/73/53/271017353.db2.gz OGWVHPYLENQKLU-VIFPVBQESA-N -1 3 316.335 0.618 20 5 DCBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)CN ZINC000162625663 280259555 /nfs/dbraw/zinc/25/95/55/280259555.db2.gz RSLZCIUSZZKEBG-UHFFFAOYSA-N -1 3 309.294 0.776 20 5 DCBDHM O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000552028328 288261230 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](CCO)C1 ZINC000823629597 599038190 /nfs/dbraw/zinc/03/81/90/599038190.db2.gz BEYLPYSMFZDSEL-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](CCO)C1 ZINC000823629597 599038193 /nfs/dbraw/zinc/03/81/93/599038193.db2.gz BEYLPYSMFZDSEL-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=C1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1 ZINC000738306995 598369311 /nfs/dbraw/zinc/36/93/11/598369311.db2.gz MSXHAWJYCGUVFA-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1 ZINC000738306995 598369312 /nfs/dbraw/zinc/36/93/12/598369312.db2.gz MSXHAWJYCGUVFA-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000736293043 599313552 /nfs/dbraw/zinc/31/35/52/599313552.db2.gz MZSSYSGGIMLZDK-YUMQZZPRSA-N -1 3 305.298 0.784 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736293043 599313554 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DCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000823376040 606808175 /nfs/dbraw/zinc/80/81/75/606808175.db2.gz VLHGEEQVRWLOMO-UHFFFAOYSA-N -1 3 312.249 0.239 20 5 DCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC000823376040 606808177 /nfs/dbraw/zinc/80/81/77/606808177.db2.gz VLHGEEQVRWLOMO-UHFFFAOYSA-N -1 3 312.249 0.239 20 5 DCBDHM O=[N+]([O-])c1ccn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826500929 607868766 /nfs/dbraw/zinc/86/87/66/607868766.db2.gz RVPVTQHIUQFEHT-SNVBAGLBSA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1ccn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826500929 607868767 /nfs/dbraw/zinc/86/87/67/607868767.db2.gz RVPVTQHIUQFEHT-SNVBAGLBSA-N -1 3 301.266 0.705 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O ZINC000825210773 608017867 /nfs/dbraw/zinc/01/78/67/608017867.db2.gz JAYMWZHLPXCBDU-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O ZINC000825210773 608017868 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O=C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1 ZINC001593394144 1167806401 /nfs/dbraw/zinc/80/64/01/1167806401.db2.gz HRFARUCXAVQJGC-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1NCCC[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001593407905 1167816288 /nfs/dbraw/zinc/81/62/88/1167816288.db2.gz HIPZTMOKDZZNKC-VIFPVBQESA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCC[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001593407905 1167816304 /nfs/dbraw/zinc/81/63/04/1167816304.db2.gz HIPZTMOKDZZNKC-VIFPVBQESA-N -1 3 317.309 0.713 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCn2ccnc21 ZINC001593470096 1167857805 /nfs/dbraw/zinc/85/78/05/1167857805.db2.gz FCKHBKGVGJMMIB-QMMMGPOBSA-N -1 3 313.281 0.923 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCn2ccnc21 ZINC001593470096 1167857813 /nfs/dbraw/zinc/85/78/13/1167857813.db2.gz FCKHBKGVGJMMIB-QMMMGPOBSA-N -1 3 313.281 0.923 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](CO)C1 ZINC001593467605 1167859434 /nfs/dbraw/zinc/85/94/34/1167859434.db2.gz DICNZAGUFUZIGL-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](CO)C1 ZINC001593467605 1167859443 /nfs/dbraw/zinc/85/94/43/1167859443.db2.gz DICNZAGUFUZIGL-VIFPVBQESA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1=CCCOC1 ZINC001593472319 1167864294 /nfs/dbraw/zinc/86/42/94/1167864294.db2.gz YNUMBXVAKFEJPA-UHFFFAOYSA-N -1 3 303.282 0.929 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1=CCCOC1 ZINC001593472319 1167864306 /nfs/dbraw/zinc/86/43/06/1167864306.db2.gz YNUMBXVAKFEJPA-UHFFFAOYSA-N -1 3 303.282 0.929 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001593487507 1167873558 /nfs/dbraw/zinc/87/35/58/1167873558.db2.gz ZDIUZFIVZADDLH-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001593487507 1167873571 /nfs/dbraw/zinc/87/35/71/1167873571.db2.gz ZDIUZFIVZADDLH-UHFFFAOYSA-N -1 3 302.210 0.869 20 5 DCBDHM O=C([O-])[C@H](C1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001601638704 1168798212 /nfs/dbraw/zinc/79/82/12/1168798212.db2.gz VBQVLWUILCWUQB-LBPRGKRZSA-N -1 3 306.322 0.975 20 5 DCBDHM CC(C)OC1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603347259 1169298775 /nfs/dbraw/zinc/29/87/75/1169298775.db2.gz NBQMJKORQRVJNE-UHFFFAOYSA-N -1 3 305.298 0.784 20 5 DCBDHM CC(C)OC1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603347259 1169298789 /nfs/dbraw/zinc/29/87/89/1169298789.db2.gz NBQMJKORQRVJNE-UHFFFAOYSA-N -1 3 305.298 0.784 20 5 DCBDHM C[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603495158 1169312822 /nfs/dbraw/zinc/31/28/22/1169312822.db2.gz HLYLSKWYQTUTQS-ZETCQYMHSA-N -1 3 307.314 0.788 20 5 DCBDHM C[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603495158 1169312825 /nfs/dbraw/zinc/31/28/25/1169312825.db2.gz HLYLSKWYQTUTQS-ZETCQYMHSA-N -1 3 307.314 0.788 20 5 DCBDHM CC1(C)[C@@H](O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603757774 1169379458 /nfs/dbraw/zinc/37/94/58/1169379458.db2.gz RDBDFHLYWYZMMZ-IUCAKERBSA-N -1 3 305.298 0.741 20 5 DCBDHM CC1(C)[C@@H](O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603757774 1169379468 /nfs/dbraw/zinc/37/94/68/1169379468.db2.gz RDBDFHLYWYZMMZ-IUCAKERBSA-N -1 3 305.298 0.741 20 5 DCBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC001603807876 1169400780 /nfs/dbraw/zinc/40/07/80/1169400780.db2.gz VFJLMZUQZNEKGW-ZDUSSCGKSA-N -1 3 317.309 0.856 20 5 DCBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC001603807876 1169400784 /nfs/dbraw/zinc/40/07/84/1169400784.db2.gz VFJLMZUQZNEKGW-ZDUSSCGKSA-N -1 3 317.309 0.856 20 5 DCBDHM CN(C)C(=O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604667935 1169647309 /nfs/dbraw/zinc/64/73/09/1169647309.db2.gz SVMCWBLTDTYVBC-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM CN(C)C(=O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604667935 1169647310 /nfs/dbraw/zinc/64/73/10/1169647310.db2.gz SVMCWBLTDTYVBC-UHFFFAOYSA-N -1 3 306.286 0.060 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604717838 1169662510 /nfs/dbraw/zinc/66/25/10/1169662510.db2.gz MQRGRWDTTNMDEM-LLVKDONJSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@@H](O)C1CC1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604717838 1169662511 /nfs/dbraw/zinc/66/25/11/1169662511.db2.gz MQRGRWDTTNMDEM-LLVKDONJSA-N -1 3 304.310 0.982 20 5 DCBDHM CNC(=O)[C@H](C)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604872708 1169721623 /nfs/dbraw/zinc/72/16/23/1169721623.db2.gz TXRVRMSOIWWOIU-MRVPVSSYSA-N -1 3 319.325 0.593 20 5 DCBDHM CNC(=O)[C@H](C)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604872708 1169721638 /nfs/dbraw/zinc/72/16/38/1169721638.db2.gz TXRVRMSOIWWOIU-MRVPVSSYSA-N -1 3 319.325 0.593 20 5 DCBDHM COCCN(CCOC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605101327 1169822272 /nfs/dbraw/zinc/82/22/72/1169822272.db2.gz VGQCUVMXRNYWOV-UHFFFAOYSA-N -1 3 322.325 0.874 20 5 DCBDHM COCCN(CCOC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605101327 1169822279 /nfs/dbraw/zinc/82/22/79/1169822279.db2.gz VGQCUVMXRNYWOV-UHFFFAOYSA-N -1 3 322.325 0.874 20 5 DCBDHM Cc1ccc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC001605840518 1170009781 /nfs/dbraw/zinc/00/97/81/1170009781.db2.gz UUWVXBOHRJGSCK-UHFFFAOYSA-N -1 3 314.265 0.551 20 5 DCBDHM Cc1nc(CN(C)c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC001606042082 1170062610 /nfs/dbraw/zinc/06/26/10/1170062610.db2.gz KHWKMBDERKXMMI-UHFFFAOYSA-N -1 3 317.269 0.498 20 5 DCBDHM Cc1nc(CN(C)c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC001606042082 1170062612 /nfs/dbraw/zinc/06/26/12/1170062612.db2.gz KHWKMBDERKXMMI-UHFFFAOYSA-N -1 3 317.269 0.498 20 5 DCBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001606973577 1170344146 /nfs/dbraw/zinc/34/41/46/1170344146.db2.gz KXPCMRGDZMOHTF-MRVPVSSYSA-N -1 3 319.277 0.855 20 5 DCBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001606973577 1170344151 /nfs/dbraw/zinc/34/41/51/1170344151.db2.gz KXPCMRGDZMOHTF-MRVPVSSYSA-N -1 3 319.277 0.855 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1(O)CCOCC1 ZINC001607079631 1170381556 /nfs/dbraw/zinc/38/15/56/1170381556.db2.gz CHNQWLGDQYXIAM-UHFFFAOYSA-N -1 3 321.297 0.123 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1(O)CCOCC1 ZINC001607079631 1170381558 /nfs/dbraw/zinc/38/15/58/1170381558.db2.gz CHNQWLGDQYXIAM-UHFFFAOYSA-N -1 3 321.297 0.123 20 5 DCBDHM O=[N+]([O-])c1cc(NC[C@@H](O)[C@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC001607079293 1170382392 /nfs/dbraw/zinc/38/23/92/1170382392.db2.gz FNLWQWMLKBUNLD-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCOCCN1 ZINC001607077381 1170382498 /nfs/dbraw/zinc/38/24/98/1170382498.db2.gz MEOSUQYGFIMGOT-UHFFFAOYSA-N -1 3 309.261 0.255 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCOCCN1 ZINC001607077381 1170382501 /nfs/dbraw/zinc/38/25/01/1170382501.db2.gz MEOSUQYGFIMGOT-UHFFFAOYSA-N -1 3 309.261 0.255 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC(CO)(CO)C1 ZINC001607084252 1170383846 /nfs/dbraw/zinc/38/38/46/1170383846.db2.gz WNAAQZGXJYAEOD-UHFFFAOYSA-N -1 3 320.309 0.320 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC(CO)(CO)C1 ZINC001607084252 1170383849 /nfs/dbraw/zinc/38/38/49/1170383849.db2.gz WNAAQZGXJYAEOD-UHFFFAOYSA-N -1 3 320.309 0.320 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](O)[C@@H](F)C1 ZINC001607083223 1170385275 /nfs/dbraw/zinc/38/52/75/1170385275.db2.gz BJMOOOLGSPFQHC-WPRPVWTQSA-N -1 3 308.273 0.684 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](O)[C@@H](F)C1 ZINC001607083223 1170385278 /nfs/dbraw/zinc/38/52/78/1170385278.db2.gz BJMOOOLGSPFQHC-WPRPVWTQSA-N -1 3 308.273 0.684 20 5 DCBDHM CC(C)C1(O)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609091853 1170807172 /nfs/dbraw/zinc/80/71/72/1170807172.db2.gz VRTSFGVBUNKADU-UHFFFAOYSA-N -1 3 304.310 0.982 20 5 DCBDHM CC(C)C1(O)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609091853 1170807178 /nfs/dbraw/zinc/80/71/78/1170807178.db2.gz VRTSFGVBUNKADU-UHFFFAOYSA-N -1 3 304.310 0.982 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609504379 1171005879 /nfs/dbraw/zinc/00/58/79/1171005879.db2.gz RRACKEAVHCWVLQ-ZETCQYMHSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)N[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609504379 1171005884 /nfs/dbraw/zinc/00/58/84/1171005884.db2.gz RRACKEAVHCWVLQ-ZETCQYMHSA-N -1 3 318.297 0.022 20 5 DCBDHM O=[N+]([O-])c1cc(N2CCn3cnnc3C2)ccc1-c1nnn[n-]1 ZINC001609600987 1171039545 /nfs/dbraw/zinc/03/95/45/1171039545.db2.gz MULWIEBXQGOERD-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001632758254 1171624543 /nfs/dbraw/zinc/62/45/43/1171624543.db2.gz GFSGGLHZTZIRRU-SNVBAGLBSA-N -1 3 322.296 0.905 20 5 DCBDHM O=c1cc(N2CC[C@H](Nc3ccncc3[N+](=O)[O-])C2)nc[n-]1 ZINC001652303240 1173767217 /nfs/dbraw/zinc/76/72/17/1173767217.db2.gz NWHAYXXPNZQOFS-VIFPVBQESA-N -1 3 302.294 0.598 20 5 DCBDHM COc1c([O-])ccc(CN2C[C@@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001657789722 1173915706 /nfs/dbraw/zinc/91/57/06/1173915706.db2.gz UAMOIAYSWIWIMR-MWLCHTKSSA-N -1 3 312.322 0.891 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCn3nccc32)nc1 ZINC001665711500 1174554673 /nfs/dbraw/zinc/55/46/73/1174554673.db2.gz KUBJPWQSKCZAHB-JTQLQIEISA-N -1 3 323.334 1.000 20 5 DCBDHM O=C(NCC=CCNc1ncc([N+](=O)[O-])cc1F)c1cn[n-]n1 ZINC001107587134 752137319 /nfs/dbraw/zinc/13/73/19/752137319.db2.gz PRWCJXHSJPLCET-UPHRSURJSA-N -1 3 321.272 0.645 20 5 DCBDHM CNc1c(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cccc1[N+](=O)[O-] ZINC001167404703 747161739 /nfs/dbraw/zinc/16/17/39/747161739.db2.gz DSPDXRIMUVRWDW-ZETCQYMHSA-N -1 3 321.293 0.564 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001211716316 748476009 /nfs/dbraw/zinc/47/60/09/748476009.db2.gz LUMFOOBSOCLZBY-MRVPVSSYSA-N -1 3 322.314 0.328 20 5 DCBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001059162903 748786429 /nfs/dbraw/zinc/78/64/29/748786429.db2.gz CHCZLISLUKBPTM-ZKCHVHJHSA-N -1 3 318.293 0.791 20 5 DCBDHM COCCCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099997928 759364556 /nfs/dbraw/zinc/36/45/56/759364556.db2.gz SJVTTXAAQZOHDQ-UHFFFAOYSA-N -1 3 312.326 0.674 20 5 DCBDHM CN(CCNC(=O)COCC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099989212 763191815 /nfs/dbraw/zinc/19/18/15/763191815.db2.gz NUOAFCXQNUNVEX-UHFFFAOYSA-N -1 3 324.337 0.674 20 5 DCBDHM CN(CCNC(=O)c1cnco1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100251872 763427003 /nfs/dbraw/zinc/42/70/03/763427003.db2.gz PHTOFSLXLSAQCB-UHFFFAOYSA-N -1 3 307.266 0.550 20 5 DCBDHM CN(CCNC(=O)c1cc[nH]c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100381903 763533715 /nfs/dbraw/zinc/53/37/15/763533715.db2.gz XMMIGLFYXZQKCG-UHFFFAOYSA-N -1 3 305.294 0.890 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1=COCCO1 ZINC001101488622 764112728 /nfs/dbraw/zinc/11/27/28/764112728.db2.gz QYJXUDKXHHSYLE-UHFFFAOYSA-N -1 3 324.293 0.454 20 5 DCBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001138216338 768406037 /nfs/dbraw/zinc/40/60/37/768406037.db2.gz TYCQZSIPAJCSJH-UHFFFAOYSA-N -1 3 318.293 0.180 20 5 DCBDHM Cn1nccc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093506000 768588025 /nfs/dbraw/zinc/58/80/25/768588025.db2.gz GLZOQDKUHFVUPO-UHFFFAOYSA-N -1 3 306.282 0.271 20 5 DCBDHM Cc1nc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])co1 ZINC001093567806 768626338 /nfs/dbraw/zinc/62/63/38/768626338.db2.gz GSVWLRSJWYXEDV-UHFFFAOYSA-N -1 3 307.266 0.834 20 5 DCBDHM Cc1nc(NCCNC(=O)c2cnc[n-]c2=O)ccc1[N+](=O)[O-] ZINC001093941820 768778273 /nfs/dbraw/zinc/77/82/73/768778273.db2.gz GNBINDQOHBRYCA-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM Cc1ncc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1C ZINC001094067153 768845482 /nfs/dbraw/zinc/84/54/82/768845482.db2.gz SKMYJNDTAOOZSK-UHFFFAOYSA-N -1 3 320.309 0.579 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001094067009 768845722 /nfs/dbraw/zinc/84/57/22/768845722.db2.gz KAQLIIAZTCKSRU-MBTKJCJQSA-N -1 3 308.294 0.116 20 5 DCBDHM CCOC(=O)c1ccnc(Nc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC001162305812 772356979 /nfs/dbraw/zinc/35/69/79/772356979.db2.gz MBYABUXTYINHGP-SECBINFHSA-N -1 3 319.277 0.976 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])cc(NCCCc2c[n-][nH]c2=O)n1 ZINC001164370508 772650700 /nfs/dbraw/zinc/65/07/00/772650700.db2.gz FRXPGNQUSHBIFB-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM CC(=O)Nc1cccnc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001320938439 946076004 /nfs/dbraw/zinc/07/60/04/946076004.db2.gz IUOCGFDBDNBEMG-UHFFFAOYSA-N -1 3 304.266 0.934 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(N)=O)cc2F)n1 ZINC001323584233 947134035 /nfs/dbraw/zinc/13/40/35/947134035.db2.gz YJCMGFSOLDLYSK-UHFFFAOYSA-N -1 3 307.241 0.819 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2nnc[nH]2)C1 ZINC001261862473 947462945 /nfs/dbraw/zinc/46/29/45/947462945.db2.gz XPDZSVROOAUXQP-ZETCQYMHSA-N -1 3 304.266 0.443 20 5 DCBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001261862473 947462953 /nfs/dbraw/zinc/46/29/53/947462953.db2.gz XPDZSVROOAUXQP-ZETCQYMHSA-N -1 3 304.266 0.443 20 5 DCBDHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OCCO ZINC001467301773 1016153533 /nfs/dbraw/zinc/15/35/33/1016153533.db2.gz NEFJFXGHSPVNKH-UHFFFAOYSA-N -1 3 319.111 0.940 20 5 DCBDHM COC[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])OC ZINC000272724538 210129705 /nfs/dbraw/zinc/12/97/05/210129705.db2.gz YGMJAKXKMVXAPS-SNVBAGLBSA-N -1 3 318.351 0.843 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000332641809 235232025 /nfs/dbraw/zinc/23/20/25/235232025.db2.gz RDKDPSKUBCBMEC-LLVKDONJSA-N -1 3 324.724 0.984 20 5 DCBDHM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CN1 ZINC000111613515 395810305 /nfs/dbraw/zinc/81/03/05/395810305.db2.gz DDFQMOOIFBJPOY-SSDOTTSWSA-N -1 3 317.298 0.291 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c(F)c1 ZINC000071304149 396112465 /nfs/dbraw/zinc/11/24/65/396112465.db2.gz HURBXPCJWRDQEX-SNVBAGLBSA-N -1 3 304.299 0.783 20 5 DCBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000268775583 396372097 /nfs/dbraw/zinc/37/20/97/396372097.db2.gz JDGHAMHDOIAYPY-VIFPVBQESA-N -1 3 316.335 0.991 20 5 DCBDHM COC1CCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000618382448 396974361 /nfs/dbraw/zinc/97/43/61/396974361.db2.gz QHHRBNJYCWOZGF-UHFFFAOYSA-N -1 3 324.337 0.536 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)C(C)C ZINC000619489469 397137432 /nfs/dbraw/zinc/13/74/32/397137432.db2.gz HIYWKBDIIMCMFW-SECBINFHSA-N -1 3 318.351 0.899 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-][C@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000593655755 397418502 /nfs/dbraw/zinc/41/85/02/397418502.db2.gz ADKIDMPNLBHONF-QMMMGPOBSA-N -1 3 322.314 0.602 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)C(C)C ZINC000092416285 158114109 /nfs/dbraw/zinc/11/41/09/158114109.db2.gz KPUYQPRMMYYSNN-JTQLQIEISA-N -1 3 318.351 0.899 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000123843633 158234178 /nfs/dbraw/zinc/23/41/78/158234178.db2.gz SHWPVFVPAVJTRO-SECBINFHSA-N -1 3 321.380 0.753 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-]CCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000125218480 158252287 /nfs/dbraw/zinc/25/22/87/158252287.db2.gz VMKLDJZUYWNHPK-UHFFFAOYSA-N -1 3 317.352 0.604 20 5 DCBDHM CCOC[C@@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000315387171 159001192 /nfs/dbraw/zinc/00/11/92/159001192.db2.gz SEVXXRRZPQVZCH-JTQLQIEISA-N -1 3 318.351 0.579 20 5 DCBDHM COC[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342537914 415201892 /nfs/dbraw/zinc/20/18/92/415201892.db2.gz AOSMYXDBAGSIOB-QMMMGPOBSA-N -1 3 324.380 0.640 20 5 DCBDHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332207905 415297193 /nfs/dbraw/zinc/29/71/93/415297193.db2.gz ZAOUOZJACSXOKO-UHFFFAOYSA-N -1 3 318.289 0.031 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000344897036 416004486 /nfs/dbraw/zinc/00/44/86/416004486.db2.gz FEYFTYIINFZIOP-SECBINFHSA-N -1 3 317.367 0.832 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nnc2n1CCC2 ZINC000298520213 416013157 /nfs/dbraw/zinc/01/31/57/416013157.db2.gz UVXWIEVRIPKRMV-UHFFFAOYSA-N -1 3 323.334 0.611 20 5 DCBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]C1=NCCS1 ZINC000298760906 416027111 /nfs/dbraw/zinc/02/71/11/416027111.db2.gz KTLSDEPYZRGIOZ-UHFFFAOYSA-N -1 3 308.319 0.544 20 5 DCBDHM COC[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000338420191 416095058 /nfs/dbraw/zinc/09/50/58/416095058.db2.gz GBTHLPGTHZGSTQ-ZETCQYMHSA-N -1 3 310.353 0.250 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(N)=O ZINC000360284954 416384143 /nfs/dbraw/zinc/38/41/43/416384143.db2.gz RTPJSDBANJBUQH-ZCFIWIBFSA-N -1 3 307.353 0.507 20 5 DCBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000444196455 416818666 /nfs/dbraw/zinc/81/86/66/416818666.db2.gz MTGOGSIRDGKHKU-LURJTMIESA-N -1 3 319.726 0.415 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCc2cnc(C)[n-]c2=O)n1 ZINC000427686755 416838051 /nfs/dbraw/zinc/83/80/51/416838051.db2.gz GAWRDIUUUDRZFV-UHFFFAOYSA-N -1 3 306.282 0.545 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525168883 417128751 /nfs/dbraw/zinc/12/87/51/417128751.db2.gz VQFKIUQFEULAJS-LBPRGKRZSA-N -1 3 304.306 0.766 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)NC ZINC000452089487 287475194 /nfs/dbraw/zinc/47/51/94/287475194.db2.gz QZZQRPOUAQBPQQ-SSDOTTSWSA-N -1 3 321.380 0.768 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000531205734 287771022 /nfs/dbraw/zinc/77/10/22/287771022.db2.gz MGLUKDMYIBNZSX-MRVPVSSYSA-N -1 3 301.324 0.316 20 5 DCBDHM C[S@@](=O)c1nncn1-c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737169816 598896481 /nfs/dbraw/zinc/89/64/81/598896481.db2.gz DXIAAACOFJKICQ-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@@](=O)c1nncn1-c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737169816 598896483 /nfs/dbraw/zinc/89/64/83/598896483.db2.gz DXIAAACOFJKICQ-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM CC[S@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736664424 598914497 /nfs/dbraw/zinc/91/44/97/598914497.db2.gz KVNUMYKTUIRODO-NRFANRHFSA-N -1 3 311.327 0.350 20 5 DCBDHM CC[S@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736664424 598914498 /nfs/dbraw/zinc/91/44/98/598914498.db2.gz KVNUMYKTUIRODO-NRFANRHFSA-N -1 3 311.327 0.350 20 5 DCBDHM CNC(=O)CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736873822 598506171 /nfs/dbraw/zinc/50/61/71/598506171.db2.gz MMXZPXABEYILMX-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CNC(=O)CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736873822 598506173 /nfs/dbraw/zinc/50/61/73/598506173.db2.gz MMXZPXABEYILMX-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CNC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736870810 598815475 /nfs/dbraw/zinc/81/54/75/598815475.db2.gz LRGLPHYRFVELOP-NSHDSACASA-N -1 3 317.309 0.490 20 5 DCBDHM CNC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736870810 598815476 /nfs/dbraw/zinc/81/54/76/598815476.db2.gz LRGLPHYRFVELOP-NSHDSACASA-N -1 3 317.309 0.490 20 5 DCBDHM CNC(=O)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000821631207 607383165 /nfs/dbraw/zinc/38/31/65/607383165.db2.gz BCQAWAZWAVCMCI-NSHDSACASA-N -1 3 319.325 0.957 20 5 DCBDHM CNC(=O)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000821631207 607383166 /nfs/dbraw/zinc/38/31/66/607383166.db2.gz BCQAWAZWAVCMCI-NSHDSACASA-N -1 3 319.325 0.957 20 5 DCBDHM CC[C@@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820965983 606480646 /nfs/dbraw/zinc/48/06/46/606480646.db2.gz BEKSNWUFXOGCLY-SECBINFHSA-N -1 3 317.309 0.490 20 5 DCBDHM CC[C@@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820965983 606480648 /nfs/dbraw/zinc/48/06/48/606480648.db2.gz BEKSNWUFXOGCLY-SECBINFHSA-N -1 3 317.309 0.490 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)c(-c2nnn[n-]2)c1 ZINC000826500811 607810454 /nfs/dbraw/zinc/81/04/54/607810454.db2.gz NANQOUHSTLZQMS-XWEPSHTISA-N -1 3 305.298 0.885 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)c(-c2nn[n-]n2)c1 ZINC000826500811 607810455 /nfs/dbraw/zinc/81/04/55/607810455.db2.gz NANQOUHSTLZQMS-XWEPSHTISA-N -1 3 305.298 0.885 20 5 DCBDHM CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000826044174 607840588 /nfs/dbraw/zinc/84/05/88/607840588.db2.gz AUWSNMQPQPTONC-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000826044174 607840589 /nfs/dbraw/zinc/84/05/89/607840589.db2.gz AUWSNMQPQPTONC-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCNC1=O ZINC000826004271 607969674 /nfs/dbraw/zinc/96/96/74/607969674.db2.gz QHOZBPVEJJTFAX-SNVBAGLBSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCNC1=O ZINC000826004271 607969675 /nfs/dbraw/zinc/96/96/75/607969675.db2.gz QHOZBPVEJJTFAX-SNVBAGLBSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@@H](C[S@@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824450458 609597955 /nfs/dbraw/zinc/59/79/55/609597955.db2.gz WEYMEOZGQPQALT-CVQPTBQBSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@@H](C[S@@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824450458 609597956 /nfs/dbraw/zinc/59/79/56/609597956.db2.gz WEYMEOZGQPQALT-CVQPTBQBSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824448509 609598031 /nfs/dbraw/zinc/59/80/31/609598031.db2.gz ITAWAAFXJKOPID-SGWXMTNESA-N -1 3 310.339 0.954 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824448509 609598033 /nfs/dbraw/zinc/59/80/33/609598033.db2.gz ITAWAAFXJKOPID-SGWXMTNESA-N -1 3 310.339 0.954 20 5 DCBDHM Nc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1[N+](=O)[O-] ZINC000752774555 668022091 /nfs/dbraw/zinc/02/20/91/668022091.db2.gz YIEPWJADUNOKGI-UHFFFAOYSA-N -1 3 315.289 0.871 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000841522351 671938920 /nfs/dbraw/zinc/93/89/20/671938920.db2.gz HXOFEUJKRRJQLU-CAHLUQPWSA-N -1 3 320.348 0.947 20 5 DCBDHM O=C([O-])CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000844213641 672163831 /nfs/dbraw/zinc/16/38/31/672163831.db2.gz BPTVCYMTVVAYMB-UHFFFAOYSA-N -1 3 317.305 0.745 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@]3(O)C[C@H]3C2)c1-c1nnn[n-]1 ZINC001581908851 1165910216 /nfs/dbraw/zinc/91/02/16/1165910216.db2.gz FRRXMQJTMVKITJ-WPPNPWJKSA-N -1 3 317.309 0.318 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@]3(O)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001581908851 1165910222 /nfs/dbraw/zinc/91/02/22/1165910222.db2.gz FRRXMQJTMVKITJ-WPPNPWJKSA-N -1 3 317.309 0.318 20 5 DCBDHM C[C@H]1[C@H](CO)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590172163 1166800687 /nfs/dbraw/zinc/80/06/87/1166800687.db2.gz YVFRIOPYWOFTEZ-WPRPVWTQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1[C@H](CO)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590172163 1166800692 /nfs/dbraw/zinc/80/06/92/1166800692.db2.gz YVFRIOPYWOFTEZ-WPRPVWTQSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590333540 1166870904 /nfs/dbraw/zinc/87/09/04/1166870904.db2.gz HQWYIRCKGFAMLF-SDBXPKJASA-N -1 3 320.309 0.727 20 5 DCBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)NC ZINC001590474177 1166920318 /nfs/dbraw/zinc/92/03/18/1166920318.db2.gz ZNZVYESFHXMSTA-QMMMGPOBSA-N -1 3 305.298 0.711 20 5 DCBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)NC ZINC001590474177 1166920321 /nfs/dbraw/zinc/92/03/21/1166920321.db2.gz ZNZVYESFHXMSTA-QMMMGPOBSA-N -1 3 305.298 0.711 20 5 DCBDHM CCC[C@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590559248 1166941105 /nfs/dbraw/zinc/94/11/05/1166941105.db2.gz DPMOQZDTRBPVGJ-RYUDHWBXSA-N -1 3 322.325 0.709 20 5 DCBDHM CCC[C@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590559248 1166941106 /nfs/dbraw/zinc/94/11/06/1166941106.db2.gz DPMOQZDTRBPVGJ-RYUDHWBXSA-N -1 3 322.325 0.709 20 5 DCBDHM CCn1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001590959301 1167059905 /nfs/dbraw/zinc/05/99/05/1167059905.db2.gz AHIZZFRXJASCGS-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001590959301 1167059908 /nfs/dbraw/zinc/05/99/08/1167059908.db2.gz AHIZZFRXJASCGS-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(CC1(CO)CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591053588 1167095547 /nfs/dbraw/zinc/09/55/47/1167095547.db2.gz UPNJUANMMBJKOH-UHFFFAOYSA-N -1 3 305.298 0.379 20 5 DCBDHM CN(CC1(CO)CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591053588 1167095551 /nfs/dbraw/zinc/09/55/51/1167095551.db2.gz UPNJUANMMBJKOH-UHFFFAOYSA-N -1 3 305.298 0.379 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591125315 1167109092 /nfs/dbraw/zinc/10/90/92/1167109092.db2.gz FWFHMIYYUFNXGB-OTSSQURYSA-N -1 3 305.298 0.377 20 5 DCBDHM CN(C[C@H]1C[C@@H](O)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591125315 1167109094 /nfs/dbraw/zinc/10/90/94/1167109094.db2.gz FWFHMIYYUFNXGB-OTSSQURYSA-N -1 3 305.298 0.377 20 5 DCBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC001591155633 1167119683 /nfs/dbraw/zinc/11/96/83/1167119683.db2.gz PUWOXQHGKKOLBG-DTORHVGOSA-N -1 3 317.309 0.475 20 5 DCBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC001591155633 1167119687 /nfs/dbraw/zinc/11/96/87/1167119687.db2.gz PUWOXQHGKKOLBG-DTORHVGOSA-N -1 3 317.309 0.475 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591277695 1167195759 /nfs/dbraw/zinc/19/57/59/1167195759.db2.gz ZBXDFVAKPQACSC-ZETCQYMHSA-N -1 3 311.233 0.093 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591277695 1167195766 /nfs/dbraw/zinc/19/57/66/1167195766.db2.gz ZBXDFVAKPQACSC-ZETCQYMHSA-N -1 3 311.233 0.093 20 5 DCBDHM CO[C@@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591320193 1167213369 /nfs/dbraw/zinc/21/33/69/1167213369.db2.gz WKVXOGAYVAQAFM-ZETCQYMHSA-N -1 3 307.266 0.853 20 5 DCBDHM CO[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591320193 1167213374 /nfs/dbraw/zinc/21/33/74/1167213374.db2.gz WKVXOGAYVAQAFM-ZETCQYMHSA-N -1 3 307.266 0.853 20 5 DCBDHM COC[C@@](C)(O)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591370925 1167242513 /nfs/dbraw/zinc/24/25/13/1167242513.db2.gz JAOBOURDMDSJSP-LBPRGKRZSA-N -1 3 323.313 0.369 20 5 DCBDHM COC[C@@](C)(O)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591370925 1167242520 /nfs/dbraw/zinc/24/25/20/1167242520.db2.gz JAOBOURDMDSJSP-LBPRGKRZSA-N -1 3 323.313 0.369 20 5 DCBDHM COC[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001591378084 1167249124 /nfs/dbraw/zinc/24/91/24/1167249124.db2.gz QPEVLONNUHFYRA-MRVPVSSYSA-N -1 3 308.298 0.848 20 5 DCBDHM COC[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001591378084 1167249131 /nfs/dbraw/zinc/24/91/31/1167249131.db2.gz QPEVLONNUHFYRA-MRVPVSSYSA-N -1 3 308.298 0.848 20 5 DCBDHM COCC(COC)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591378252 1167249302 /nfs/dbraw/zinc/24/93/02/1167249302.db2.gz ZMDRTGOFLRHQIC-UHFFFAOYSA-N -1 3 308.298 0.848 20 5 DCBDHM COCC(COC)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591378252 1167249311 /nfs/dbraw/zinc/24/93/11/1167249311.db2.gz ZMDRTGOFLRHQIC-UHFFFAOYSA-N -1 3 308.298 0.848 20 5 DCBDHM Cc1cc(NCCOCCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050040 1167446953 /nfs/dbraw/zinc/44/69/53/1167446953.db2.gz INKHMKMEHWMSLT-UHFFFAOYSA-N -1 3 308.298 0.504 20 5 DCBDHM Cc1cc(NCCOCCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050040 1167446955 /nfs/dbraw/zinc/44/69/55/1167446955.db2.gz INKHMKMEHWMSLT-UHFFFAOYSA-N -1 3 308.298 0.504 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593407015 1167816257 /nfs/dbraw/zinc/81/62/57/1167816257.db2.gz BDCSVKJMIWWKEA-MRVPVSSYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593407015 1167816263 /nfs/dbraw/zinc/81/62/63/1167816263.db2.gz BDCSVKJMIWWKEA-MRVPVSSYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1OC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]12 ZINC001593413367 1167827327 /nfs/dbraw/zinc/82/73/27/1167827327.db2.gz QYNNAQISPPFSFL-GMSGAONNSA-N -1 3 316.277 0.384 20 5 DCBDHM O=C1OC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]12 ZINC001593413367 1167827340 /nfs/dbraw/zinc/82/73/40/1167827340.db2.gz QYNNAQISPPFSFL-GMSGAONNSA-N -1 3 316.277 0.384 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2COC[C@@H]2C1 ZINC001593468177 1167856977 /nfs/dbraw/zinc/85/69/77/1167856977.db2.gz KCPZOERVVZWSPU-AOOOYVTPSA-N -1 3 302.294 0.858 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2COC[C@@H]2C1 ZINC001593468177 1167856992 /nfs/dbraw/zinc/85/69/92/1167856992.db2.gz KCPZOERVVZWSPU-AOOOYVTPSA-N -1 3 302.294 0.858 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)[C@@H]1CCOC1 ZINC001593467551 1167858137 /nfs/dbraw/zinc/85/81/37/1167858137.db2.gz BPUASNZUSXYXIJ-KOLCDFICSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)[C@@H]1CCOC1 ZINC001593467551 1167858144 /nfs/dbraw/zinc/85/81/44/1167858144.db2.gz BPUASNZUSXYXIJ-KOLCDFICSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCc1nnc[nH]1 ZINC001593468812 1167859681 /nfs/dbraw/zinc/85/96/81/1167859681.db2.gz QUBQSDYIQINPNH-UHFFFAOYSA-N -1 3 319.260 0.687 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCn1cncn1 ZINC001593475277 1167863849 /nfs/dbraw/zinc/86/38/49/1167863849.db2.gz NYVJTRQEHPFMLO-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCn1cncn1 ZINC001593475277 1167863868 /nfs/dbraw/zinc/86/38/68/1167863868.db2.gz NYVJTRQEHPFMLO-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593485047 1167866592 /nfs/dbraw/zinc/86/65/92/1167866592.db2.gz OXRUXBCVPONSMQ-LURJTMIESA-N -1 3 319.203 0.505 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593485047 1167866597 /nfs/dbraw/zinc/86/65/97/1167866597.db2.gz OXRUXBCVPONSMQ-LURJTMIESA-N -1 3 319.203 0.505 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](CO)C1 ZINC001593479958 1167866619 /nfs/dbraw/zinc/86/66/19/1167866619.db2.gz CWDYJOSVLDKIAY-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](CO)C1 ZINC001593479958 1167866627 /nfs/dbraw/zinc/86/66/27/1167866627.db2.gz CWDYJOSVLDKIAY-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=C([O-])[C@@H]1C[C@@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001601769956 1168870991 /nfs/dbraw/zinc/87/09/91/1168870991.db2.gz UBBNDGQEAPYXCP-ZYHUDNBSSA-N -1 3 310.306 0.741 20 5 DCBDHM O=C([O-])CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001602062509 1168980980 /nfs/dbraw/zinc/98/09/80/1168980980.db2.gz XPBLUEFGYDNXSQ-UHFFFAOYSA-N -1 3 309.322 0.676 20 5 DCBDHM CC(=O)NC/C=C/CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001602944518 1169216717 /nfs/dbraw/zinc/21/67/17/1169216717.db2.gz DIZGIRFSGZZOQN-NSCUHMNNSA-N -1 3 317.309 0.879 20 5 DCBDHM CC(=O)NC/C=C/CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001602944518 1169216723 /nfs/dbraw/zinc/21/67/23/1169216723.db2.gz DIZGIRFSGZZOQN-NSCUHMNNSA-N -1 3 317.309 0.879 20 5 DCBDHM CC[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604093590 1169490416 /nfs/dbraw/zinc/49/04/16/1169490416.db2.gz JYLUBTYSAMDQNE-CYBMUJFWSA-N -1 3 319.325 0.911 20 5 DCBDHM CC[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604093590 1169490421 /nfs/dbraw/zinc/49/04/21/1169490421.db2.gz JYLUBTYSAMDQNE-CYBMUJFWSA-N -1 3 319.325 0.911 20 5 DCBDHM CCN1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001604336992 1169558445 /nfs/dbraw/zinc/55/84/45/1169558445.db2.gz ZVRSVORCYFCCSC-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O ZINC001604336992 1169558453 /nfs/dbraw/zinc/55/84/53/1169558453.db2.gz ZVRSVORCYFCCSC-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM COC(=O)[C@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604902946 1169737056 /nfs/dbraw/zinc/73/70/56/1169737056.db2.gz RMWZDUJKQPTFIS-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604902946 1169737060 /nfs/dbraw/zinc/73/70/60/1169737060.db2.gz RMWZDUJKQPTFIS-SSDOTTSWSA-N -1 3 306.282 0.996 20 5 DCBDHM CON(C)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001605142699 1169842954 /nfs/dbraw/zinc/84/29/54/1169842954.db2.gz RWZFXSDKUYDPMS-UHFFFAOYSA-N -1 3 308.302 0.262 20 5 DCBDHM CON(C)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001605142699 1169842960 /nfs/dbraw/zinc/84/29/60/1169842960.db2.gz RWZFXSDKUYDPMS-UHFFFAOYSA-N -1 3 308.302 0.262 20 5 DCBDHM Cc1nccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001606093498 1170074390 /nfs/dbraw/zinc/07/43/90/1170074390.db2.gz SOIYOMPFFSIWQQ-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cc1nccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001606093498 1170074395 /nfs/dbraw/zinc/07/43/95/1170074395.db2.gz SOIYOMPFFSIWQQ-UHFFFAOYSA-N -1 3 313.281 0.880 20 5 DCBDHM Cn1cncc1CCCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001606265057 1170140858 /nfs/dbraw/zinc/14/08/58/1170140858.db2.gz KZOPRAYTLNMECW-UHFFFAOYSA-N -1 3 303.286 0.338 20 5 DCBDHM Nc1c([N+](=O)[O-])cnn1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001606451488 1170208023 /nfs/dbraw/zinc/20/80/23/1170208023.db2.gz LAUWYPNQJFMYAC-UHFFFAOYSA-N -1 3 304.245 0.741 20 5 DCBDHM Nc1c([N+](=O)[O-])cnn1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001606451488 1170208027 /nfs/dbraw/zinc/20/80/27/1170208027.db2.gz LAUWYPNQJFMYAC-UHFFFAOYSA-N -1 3 304.245 0.741 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](CCO)C1 ZINC001607079689 1170381632 /nfs/dbraw/zinc/38/16/32/1170381632.db2.gz CPPUWNAFJGORLC-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](CCO)C1 ZINC001607079689 1170381638 /nfs/dbraw/zinc/38/16/38/1170381638.db2.gz CPPUWNAFJGORLC-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](O)[C@H](F)C1 ZINC001607083220 1170384645 /nfs/dbraw/zinc/38/46/45/1170384645.db2.gz BJMOOOLGSPFQHC-PSASIEDQSA-N -1 3 308.273 0.684 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](O)[C@H](F)C1 ZINC001607083220 1170384649 /nfs/dbraw/zinc/38/46/49/1170384649.db2.gz BJMOOOLGSPFQHC-PSASIEDQSA-N -1 3 308.273 0.684 20 5 DCBDHM O=[N+]([O-])c1cccc(CNCCn2cnc(-c3nnn[n-]3)n2)c1 ZINC001607084494 1170385207 /nfs/dbraw/zinc/38/52/07/1170385207.db2.gz IXGRMXFQMAFUIN-UHFFFAOYSA-N -1 3 315.297 0.156 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCN(C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001609603387 1171039430 /nfs/dbraw/zinc/03/94/30/1171039430.db2.gz ADVGTXXWEAZZSO-UHFFFAOYSA-N -1 3 316.325 0.454 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1=CCOCC1 ZINC001609600295 1171040991 /nfs/dbraw/zinc/04/09/91/1171040991.db2.gz BCOKVONEICGEHT-UHFFFAOYSA-N -1 3 303.282 0.929 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1=CCOCC1 ZINC001609600295 1171040999 /nfs/dbraw/zinc/04/09/99/1171040999.db2.gz BCOKVONEICGEHT-UHFFFAOYSA-N -1 3 303.282 0.929 20 5 DCBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CO1 ZINC001622187864 1171419739 /nfs/dbraw/zinc/41/97/39/1171419739.db2.gz GHGPOTYTCWTCHQ-LURJTMIESA-N -1 3 304.255 0.328 20 5 DCBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001625583850 1171473837 /nfs/dbraw/zinc/47/38/37/1171473837.db2.gz IZANAGWVRWJFPF-UHFFFAOYSA-N -1 3 305.294 0.563 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001632758265 1171624161 /nfs/dbraw/zinc/62/41/61/1171624161.db2.gz HACICBHWKFPGEY-JTQLQIEISA-N -1 3 305.294 0.540 20 5 DCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)NCCCc1c[n-][nH]c1=O ZINC001642448347 1171946748 /nfs/dbraw/zinc/94/67/48/1171946748.db2.gz FQJLSBGXESYTSJ-NSHDSACASA-N -1 3 304.306 0.766 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(N)=O)c([N+](=O)[O-])s1 ZINC001663376090 1174292885 /nfs/dbraw/zinc/29/28/85/1174292885.db2.gz UXKKMZPDKSBEMQ-RXMQYKEDSA-N -1 3 307.353 0.507 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCNC2=O)c([N+](=O)[O-])s1 ZINC001665753938 1174560686 /nfs/dbraw/zinc/56/06/86/1174560686.db2.gz VNIPUPIDICWESZ-SNVBAGLBSA-N -1 3 319.364 0.522 20 5 DCBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cn[nH]c1 ZINC001107061792 751806449 /nfs/dbraw/zinc/80/64/49/751806449.db2.gz SEHQPEYJRDEJEM-OWOJBTEDSA-N -1 3 318.293 0.817 20 5 DCBDHM O=C(N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1)c1cn[n-]n1 ZINC001059458194 749197868 /nfs/dbraw/zinc/19/78/68/749197868.db2.gz BKMOFUFZUSLCGJ-LJGSYFOKSA-N -1 3 321.272 0.620 20 5 DCBDHM COCCC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101268202 764032912 /nfs/dbraw/zinc/03/29/12/764032912.db2.gz NMHGKZYBOZAGSL-UHFFFAOYSA-N -1 3 324.337 0.817 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnsn1 ZINC001101506049 764122392 /nfs/dbraw/zinc/12/23/92/764122392.db2.gz LZUORINLQFXCDG-UHFFFAOYSA-N -1 3 324.322 0.731 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001101906519 764416108 /nfs/dbraw/zinc/41/61/08/764416108.db2.gz LNFITAGOYBJERJ-JZYVYDRUSA-N -1 3 322.321 0.458 20 5 DCBDHM Cc1ocnc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093504328 768612438 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CC1(C)[C@H](O)C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001575622767 950643747 /nfs/dbraw/zinc/64/37/47/950643747.db2.gz GSSQPPCMISFGNV-RKDXNWHRSA-N -1 3 319.325 0.928 20 5 DCBDHM COC[C@@H](O)CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599276206 996806659 /nfs/dbraw/zinc/80/66/59/996806659.db2.gz PTGSKUKYAJHEDG-JTQLQIEISA-N -1 3 314.294 0.155 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c([N+](=O)[O-])s1 ZINC001474859219 1017044065 /nfs/dbraw/zinc/04/40/65/1017044065.db2.gz XBPJHLFCBBHDMP-QMMMGPOBSA-N -1 3 322.364 0.658 20 5 DCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000425209860 240313129 /nfs/dbraw/zinc/31/31/29/240313129.db2.gz SIUGCROVRMOUPM-PSASIEDQSA-N -1 3 320.298 0.544 20 5 DCBDHM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000569762840 291495218 /nfs/dbraw/zinc/49/52/18/291495218.db2.gz MITANUBBIBXZHT-SECBINFHSA-N -1 3 324.337 0.097 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000349188597 296357191 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DCBDHM O=c1[n-]nc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000295493284 396697867 /nfs/dbraw/zinc/69/78/67/396697867.db2.gz ZKQKEXSKBVZWEU-SECBINFHSA-N -1 3 308.298 0.347 20 5 DCBDHM O=C(N[C@@H]1CCCN(CCCO)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000295567843 396701633 /nfs/dbraw/zinc/70/16/33/396701633.db2.gz UWKVAHUPUHFKSQ-GFCCVEGCSA-N -1 3 323.349 0.877 20 5 DCBDHM CS(=O)(=O)CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596150047 396724277 /nfs/dbraw/zinc/72/42/77/396724277.db2.gz DJZNRULUJGMLNV-UHFFFAOYSA-N -1 3 301.324 0.932 20 5 DCBDHM CN(C)C(=O)N[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596261724 396747278 /nfs/dbraw/zinc/74/72/78/396747278.db2.gz IBFMWXLTTXZBMU-VIFPVBQESA-N -1 3 309.326 0.935 20 5 DCBDHM Cc1nn(CCC(=O)[N-]c2nnc3[nH]cnn23)c(C)c1[N+](=O)[O-] ZINC000590378308 396764006 /nfs/dbraw/zinc/76/40/06/396764006.db2.gz APEYCKNJWKLWDJ-UHFFFAOYSA-N -1 3 319.285 0.203 20 5 DCBDHM CCn1nncc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599358486 397417915 /nfs/dbraw/zinc/41/79/15/397417915.db2.gz CQFDYQOTSQGFTM-UHFFFAOYSA-N -1 3 311.323 0.685 20 5 DCBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(N)=O ZINC000352508769 415196469 /nfs/dbraw/zinc/19/64/69/415196469.db2.gz FBHRPQDPEUVWHT-ZETCQYMHSA-N -1 3 321.380 0.897 20 5 DCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CO ZINC000276269039 415463033 /nfs/dbraw/zinc/46/30/33/415463033.db2.gz VIYKXAIGPPTHPG-SSDOTTSWSA-N -1 3 318.307 0.041 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000280289325 415541044 /nfs/dbraw/zinc/54/10/44/415541044.db2.gz QMRCWJOLIUHLPE-SNVBAGLBSA-N -1 3 318.351 0.497 20 5 DCBDHM C[C@H](O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281585991 415554728 /nfs/dbraw/zinc/55/47/28/415554728.db2.gz MVZCNAGGVIAACF-ZJUUUORDSA-N -1 3 324.337 0.223 20 5 DCBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343470287 415610699 /nfs/dbraw/zinc/61/06/99/415610699.db2.gz RLAQXOYKOQIOTR-LURJTMIESA-N -1 3 321.380 0.768 20 5 DCBDHM COc1cc(CNC[C@@H]2CC[C@@H](CO)O2)c([N+](=O)[O-])cc1[O-] ZINC000353690969 415626850 /nfs/dbraw/zinc/62/68/50/415626850.db2.gz SLOBMKXGTPXGRO-QWRGUYRKSA-N -1 3 312.322 0.939 20 5 DCBDHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC000152847685 415970873 /nfs/dbraw/zinc/97/08/73/415970873.db2.gz RMUJAFUDFVISSU-UHFFFAOYSA-N -1 3 315.311 0.375 20 5 DCBDHM CN(C)CCn1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000356510936 415935916 /nfs/dbraw/zinc/93/59/16/415935916.db2.gz KEWBEOYQVXOQMA-UHFFFAOYSA-N -1 3 319.321 1.311 20 5 DCBDHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000345414352 416091361 /nfs/dbraw/zinc/09/13/61/416091361.db2.gz MIQPUJDMKODGBQ-UHFFFAOYSA-N -1 3 318.307 0.306 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000360801717 416411230 /nfs/dbraw/zinc/41/12/30/416411230.db2.gz LXXWDMAWYPPCGD-UHFFFAOYSA-N -1 3 303.238 0.959 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000360801717 416411232 /nfs/dbraw/zinc/41/12/32/416411232.db2.gz LXXWDMAWYPPCGD-UHFFFAOYSA-N -1 3 303.238 0.959 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000360801717 416411233 /nfs/dbraw/zinc/41/12/33/416411233.db2.gz LXXWDMAWYPPCGD-UHFFFAOYSA-N -1 3 303.238 0.959 20 5 DCBDHM Nc1nc(=NCCOc2ccc([N+](=O)[O-])cc2)nc2[nH][n-]cc1-2 ZINC000545474904 416676774 /nfs/dbraw/zinc/67/67/74/416676774.db2.gz GEOUIPAQLUWXBK-UHFFFAOYSA-N -1 3 315.293 0.708 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000363687411 262127821 /nfs/dbraw/zinc/12/78/21/262127821.db2.gz AASPFSISWNKLFL-VXGBXAGGSA-N -1 3 321.333 0.893 20 5 DCBDHM Cc1c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332644156 533756485 /nfs/dbraw/zinc/75/64/85/533756485.db2.gz RTKWYTCDEPIEEP-NSHDSACASA-N -1 3 318.289 0.279 20 5 DCBDHM O=[N+]([O-])c1ccn(-c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000738367992 598499192 /nfs/dbraw/zinc/49/91/92/598499192.db2.gz AUEZPNORBUBKSA-UHFFFAOYSA-N -1 3 303.198 0.264 20 5 DCBDHM COC(=O)CCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736911204 598500741 /nfs/dbraw/zinc/50/07/41/598500741.db2.gz JCUDGBGKJKJXPG-UHFFFAOYSA-N -1 3 321.297 0.925 20 5 DCBDHM COC(=O)CCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736911204 598500743 /nfs/dbraw/zinc/50/07/43/598500743.db2.gz JCUDGBGKJKJXPG-UHFFFAOYSA-N -1 3 321.297 0.925 20 5 DCBDHM Cc1cnn(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737448768 598502414 /nfs/dbraw/zinc/50/24/14/598502414.db2.gz PEJVAARGUHGQPQ-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1cnn(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737448768 598502416 /nfs/dbraw/zinc/50/24/16/598502416.db2.gz PEJVAARGUHGQPQ-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM O=[N+]([O-])c1cnc(-n2cnc(CCCO)c2)c(-c2nnn[n-]2)c1 ZINC000738370165 598674160 /nfs/dbraw/zinc/67/41/60/598674160.db2.gz RFVGCYHVAWHMAJ-UHFFFAOYSA-N -1 3 316.281 0.281 20 5 DCBDHM O=[N+]([O-])c1cnc(-n2cnc(CCCO)c2)c(-c2nn[n-]n2)c1 ZINC000738370165 598674161 /nfs/dbraw/zinc/67/41/61/598674161.db2.gz RFVGCYHVAWHMAJ-UHFFFAOYSA-N -1 3 316.281 0.281 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826425843 607659737 /nfs/dbraw/zinc/65/97/37/607659737.db2.gz WJFXRPMEVCJZRP-UHFFFAOYSA-N -1 3 300.238 0.249 20 5 DCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826425843 607659739 /nfs/dbraw/zinc/65/97/39/607659739.db2.gz WJFXRPMEVCJZRP-UHFFFAOYSA-N -1 3 300.238 0.249 20 5 DCBDHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000833835399 605654495 /nfs/dbraw/zinc/65/44/95/605654495.db2.gz YTCRMKJHODKJCD-QWRGUYRKSA-N -1 3 324.337 0.735 20 5 DCBDHM CCc1nnc(-n2ccc([N+](=O)[O-])n2)c(-c2nnn[n-]2)c1CC ZINC000821516851 606924148 /nfs/dbraw/zinc/92/41/48/606924148.db2.gz DMWXBXKKQCLRBB-UHFFFAOYSA-N -1 3 315.297 0.875 20 5 DCBDHM CCc1nnc(-n2ccc([N+](=O)[O-])n2)c(-c2nn[n-]n2)c1CC ZINC000821516851 606924149 /nfs/dbraw/zinc/92/41/49/606924149.db2.gz DMWXBXKKQCLRBB-UHFFFAOYSA-N -1 3 315.297 0.875 20 5 DCBDHM C[C@H]1CO[C@@H](CO)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820803919 607028902 /nfs/dbraw/zinc/02/89/02/607028902.db2.gz JRJXLZHWKNSNGG-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CO[C@@H](CO)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820803919 607028903 /nfs/dbraw/zinc/02/89/03/607028903.db2.gz JRJXLZHWKNSNGG-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826500722 607868525 /nfs/dbraw/zinc/86/85/25/607868525.db2.gz JVABQAJBPMGWQW-LLVKDONJSA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826500722 607868526 /nfs/dbraw/zinc/86/85/26/607868526.db2.gz JVABQAJBPMGWQW-LLVKDONJSA-N -1 3 301.266 0.705 20 5 DCBDHM CC(C)OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824309481 607873145 /nfs/dbraw/zinc/87/31/45/607873145.db2.gz QGMXDUPYZXGJEF-JTQLQIEISA-N -1 3 323.309 0.940 20 5 DCBDHM CC(C)OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824309481 607873146 /nfs/dbraw/zinc/87/31/46/607873146.db2.gz QGMXDUPYZXGJEF-JTQLQIEISA-N -1 3 323.309 0.940 20 5 DCBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC000825219992 608018248 /nfs/dbraw/zinc/01/82/48/608018248.db2.gz ODJDAGUCBDQOOW-XVKPBYJWSA-N -1 3 305.298 0.377 20 5 DCBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O ZINC000825219992 608018249 /nfs/dbraw/zinc/01/82/49/608018249.db2.gz ODJDAGUCBDQOOW-XVKPBYJWSA-N -1 3 305.298 0.377 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCCn2ccnn2)c(-c2nnn[n-]2)c1 ZINC000826499077 609597525 /nfs/dbraw/zinc/59/75/25/609597525.db2.gz UZDPRNXSHTVKGN-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCCn2ccnn2)c(-c2nn[n-]n2)c1 ZINC000826499077 609597526 /nfs/dbraw/zinc/59/75/26/609597526.db2.gz UZDPRNXSHTVKGN-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM CCN1CCN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1=O ZINC000893567776 660815481 /nfs/dbraw/zinc/81/54/81/660815481.db2.gz AYNAURNKBJQDLV-UHFFFAOYSA-N -1 3 309.322 0.973 20 5 DCBDHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000805138276 668134316 /nfs/dbraw/zinc/13/43/16/668134316.db2.gz POWWDJFNADYPKW-LURJTMIESA-N -1 3 312.300 0.446 20 5 DCBDHM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cnn[n-]1 ZINC000805607261 668899399 /nfs/dbraw/zinc/89/93/99/668899399.db2.gz ILJYRGJHEAEROV-NSHDSACASA-N -1 3 317.261 0.675 20 5 DCBDHM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c[n-]nn1 ZINC000805607261 668899400 /nfs/dbraw/zinc/89/94/00/668899400.db2.gz ILJYRGJHEAEROV-NSHDSACASA-N -1 3 317.261 0.675 20 5 DCBDHM O=C([N-][C@H]1CNC(=O)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848587461 670698957 /nfs/dbraw/zinc/69/89/57/670698957.db2.gz VNNHNINGFBXZTO-SSDOTTSWSA-N -1 3 315.232 0.571 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000841522353 671938711 /nfs/dbraw/zinc/93/87/11/671938711.db2.gz HXOFEUJKRRJQLU-IYSWYEEDSA-N -1 3 320.348 0.947 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCCO)nc1 ZINC000845908151 672281969 /nfs/dbraw/zinc/28/19/69/672281969.db2.gz MWQNFPVZINKEOF-UHFFFAOYSA-N -1 3 303.340 0.821 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC001670792174 1158020092 /nfs/dbraw/zinc/02/00/92/1158020092.db2.gz QSISARQATLNIEP-SCZZXKLOSA-N -1 3 320.298 0.080 20 5 DCBDHM CC(C)(COC(=O)COc1ccc(-c2nn[n-]n2)cc1)[N+](=O)[O-] ZINC001589298810 1166644435 /nfs/dbraw/zinc/64/44/35/1166644435.db2.gz BLFHJRQEYHMSGC-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM C[C@@H](CO)CCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589882214 1166705143 /nfs/dbraw/zinc/70/51/43/1166705143.db2.gz LOXGMQKIQWQKJZ-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@@H](CO)CCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589882214 1166705149 /nfs/dbraw/zinc/70/51/49/1166705149.db2.gz LOXGMQKIQWQKJZ-MRVPVSSYSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@@H](O)C(C)(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589993021 1166740137 /nfs/dbraw/zinc/74/01/37/1166740137.db2.gz IULCKEFBVSZGHH-SSDOTTSWSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](O)C(C)(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589993021 1166740144 /nfs/dbraw/zinc/74/01/44/1166740144.db2.gz IULCKEFBVSZGHH-SSDOTTSWSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001589994713 1166741485 /nfs/dbraw/zinc/74/14/85/1166741485.db2.gz IJDLNYGFNPSYHF-PELKAZGASA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001589994713 1166741489 /nfs/dbraw/zinc/74/14/89/1166741489.db2.gz IJDLNYGFNPSYHF-PELKAZGASA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001590275624 1166838266 /nfs/dbraw/zinc/83/82/66/1166838266.db2.gz CWQANRKSMSLFIY-QMMMGPOBSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001590275624 1166838270 /nfs/dbraw/zinc/83/82/70/1166838270.db2.gz CWQANRKSMSLFIY-QMMMGPOBSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001590276119 1166838771 /nfs/dbraw/zinc/83/87/71/1166838771.db2.gz JLKOGHHGDNDRPH-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1O ZINC001590276119 1166838773 /nfs/dbraw/zinc/83/87/73/1166838773.db2.gz JLKOGHHGDNDRPH-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM CCON(C)C(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590817920 1167031139 /nfs/dbraw/zinc/03/11/39/1167031139.db2.gz OXJFXJZMLGMPML-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCON(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590817920 1167031145 /nfs/dbraw/zinc/03/11/45/1167031145.db2.gz OXJFXJZMLGMPML-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CN(CCn1cnnc1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591123773 1167108680 /nfs/dbraw/zinc/10/86/80/1167108680.db2.gz ZOWTXAUARYEAMC-UHFFFAOYSA-N -1 3 315.297 0.503 20 5 DCBDHM CN(CCn1cnnc1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591123773 1167108683 /nfs/dbraw/zinc/10/86/83/1167108683.db2.gz ZOWTXAUARYEAMC-UHFFFAOYSA-N -1 3 315.297 0.503 20 5 DCBDHM CN(c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC(O)C1 ZINC001591154819 1167119953 /nfs/dbraw/zinc/11/99/53/1167119953.db2.gz LXABRLXEOXLTGK-UHFFFAOYSA-N -1 3 308.273 0.874 20 5 DCBDHM CN(c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC(O)C1 ZINC001591154819 1167119955 /nfs/dbraw/zinc/11/99/55/1167119955.db2.gz LXABRLXEOXLTGK-UHFFFAOYSA-N -1 3 308.273 0.874 20 5 DCBDHM COC(=O)C1(C)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591244381 1167172199 /nfs/dbraw/zinc/17/21/99/1167172199.db2.gz RINBEJWACGGDHU-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)C1(C)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591244381 1167172202 /nfs/dbraw/zinc/17/22/02/1167172202.db2.gz RINBEJWACGGDHU-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM CO[C@@](C)(CO)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591318490 1167212390 /nfs/dbraw/zinc/21/23/90/1167212390.db2.gz BUTWRCJPPVEULP-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM CO[C@@](C)(CO)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591318490 1167212397 /nfs/dbraw/zinc/21/23/97/1167212397.db2.gz BUTWRCJPPVEULP-GFCCVEGCSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001591375958 1167246927 /nfs/dbraw/zinc/24/69/27/1167246927.db2.gz LUKNBOKLHFJLQI-VIFPVBQESA-N -1 3 323.313 0.633 20 5 DCBDHM COC[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001591375958 1167246934 /nfs/dbraw/zinc/24/69/34/1167246934.db2.gz LUKNBOKLHFJLQI-VIFPVBQESA-N -1 3 323.313 0.633 20 5 DCBDHM COCC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591396328 1167267177 /nfs/dbraw/zinc/26/71/77/1167267177.db2.gz XBLVXELHNYUVDT-UHFFFAOYSA-N -1 3 305.298 0.440 20 5 DCBDHM COCC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591396328 1167267184 /nfs/dbraw/zinc/26/71/84/1167267184.db2.gz XBLVXELHNYUVDT-UHFFFAOYSA-N -1 3 305.298 0.440 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591774687 1167374496 /nfs/dbraw/zinc/37/44/96/1167374496.db2.gz KOXXFSBAHWXTCV-JGVFFNPUSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@H]1C[C@@H](O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591774687 1167374503 /nfs/dbraw/zinc/37/45/03/1167374503.db2.gz KOXXFSBAHWXTCV-JGVFFNPUSA-N -1 3 319.325 0.564 20 5 DCBDHM Cc1cc(=O)n(Cc2ncc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001591903541 1167415145 /nfs/dbraw/zinc/41/51/45/1167415145.db2.gz ULOURIOFPCPTPE-UHFFFAOYSA-N -1 3 314.265 0.083 20 5 DCBDHM Cc1cc(=O)n(Cc2ncc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001591903541 1167415151 /nfs/dbraw/zinc/41/51/51/1167415151.db2.gz ULOURIOFPCPTPE-UHFFFAOYSA-N -1 3 314.265 0.083 20 5 DCBDHM Cc1cc(NC[C@H](O)[C@@H](C)O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042073 1167444513 /nfs/dbraw/zinc/44/45/13/1167444513.db2.gz WUNGYANWWMPJRU-HQJQHLMTSA-N -1 3 308.298 0.237 20 5 DCBDHM Cc1cc(NC[C@H](O)[C@@H](C)O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042073 1167444517 /nfs/dbraw/zinc/44/45/17/1167444517.db2.gz WUNGYANWWMPJRU-HQJQHLMTSA-N -1 3 308.298 0.237 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@H](CO)CCF)c1-c1nnn[n-]1 ZINC001592757473 1167633620 /nfs/dbraw/zinc/63/36/20/1167633620.db2.gz KKPXWISNTKKPOW-LURJTMIESA-N -1 3 311.277 0.490 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@H](CO)CCF)c1-c1nn[n-]n1 ZINC001592757473 1167633624 /nfs/dbraw/zinc/63/36/24/1167633624.db2.gz KKPXWISNTKKPOW-LURJTMIESA-N -1 3 311.277 0.490 20 5 DCBDHM CC[C@H](O)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604066860 1169485010 /nfs/dbraw/zinc/48/50/10/1169485010.db2.gz LPCVONWCOBDFAH-QMMMGPOBSA-N -1 3 321.293 0.979 20 5 DCBDHM CC[C@H](O)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604066860 1169485014 /nfs/dbraw/zinc/48/50/14/1169485014.db2.gz LPCVONWCOBDFAH-QMMMGPOBSA-N -1 3 321.293 0.979 20 5 DCBDHM CCN1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001604347030 1169563843 /nfs/dbraw/zinc/56/38/43/1169563843.db2.gz AKAVUFNRQMBXNT-UHFFFAOYSA-N -1 3 321.272 0.540 20 5 DCBDHM CCN1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001604347030 1169563847 /nfs/dbraw/zinc/56/38/47/1169563847.db2.gz AKAVUFNRQMBXNT-UHFFFAOYSA-N -1 3 321.272 0.540 20 5 DCBDHM CCn1ncnc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604623988 1169633945 /nfs/dbraw/zinc/63/39/45/1169633945.db2.gz PEYGTEDOJVXKQL-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM COC(=O)[C@@H]1C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604959155 1169763482 /nfs/dbraw/zinc/76/34/82/1169763482.db2.gz ABQIPHGBADENBB-HTRCEHHLSA-N -1 3 319.281 0.391 20 5 DCBDHM COC(=O)[C@@H]1C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604959155 1169763485 /nfs/dbraw/zinc/76/34/85/1169763485.db2.gz ABQIPHGBADENBB-HTRCEHHLSA-N -1 3 319.281 0.391 20 5 DCBDHM Cn1ncc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001606276483 1170145033 /nfs/dbraw/zinc/14/50/33/1170145033.db2.gz RRSVKZGFEZFTDH-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1ncc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001606276483 1170145035 /nfs/dbraw/zinc/14/50/35/1170145035.db2.gz RRSVKZGFEZFTDH-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM NC(=O)CC1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606410622 1170189814 /nfs/dbraw/zinc/18/98/14/1170189814.db2.gz IQSVPLYXVHOEJQ-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)CC1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606410622 1170189815 /nfs/dbraw/zinc/18/98/15/1170189815.db2.gz IQSVPLYXVHOEJQ-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001606424597 1170195278 /nfs/dbraw/zinc/19/52/78/1170195278.db2.gz YIDLDQGLSBEAON-SFYZADRCSA-N -1 3 317.309 0.841 20 5 DCBDHM NC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001606424597 1170195281 /nfs/dbraw/zinc/19/52/81/1170195281.db2.gz YIDLDQGLSBEAON-SFYZADRCSA-N -1 3 317.309 0.841 20 5 DCBDHM O=[N+]([O-])c1cc(NC[C@H](O)[C@@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC001607079292 1170381523 /nfs/dbraw/zinc/38/15/23/1170381523.db2.gz FNLWQWMLKBUNLD-RYUDHWBXSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCCOCC1 ZINC001607083792 1170384433 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DCBDHM COC(=O)c1ccnc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000347523257 254164815 /nfs/dbraw/zinc/16/48/15/254164815.db2.gz NTBQWPIJAODRHA-UHFFFAOYSA-N -1 3 305.250 0.762 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332580075 533219872 /nfs/dbraw/zinc/21/98/72/533219872.db2.gz BALBSOCSFPSLGA-NSHDSACASA-N -1 3 320.305 0.339 20 5 DCBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000285440035 131168970 /nfs/dbraw/zinc/16/89/70/131168970.db2.gz RTCABMJWCBLZNZ-VIFPVBQESA-N -1 3 319.314 0.666 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C)OCCO1 ZINC000271069909 395834758 /nfs/dbraw/zinc/83/47/58/395834758.db2.gz LVUHJJQUMRTJRY-UHFFFAOYSA-N -1 3 316.335 0.945 20 5 DCBDHM CCN(CCO)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184337462 396291594 /nfs/dbraw/zinc/29/15/94/396291594.db2.gz ZQKMNFCCGCYESN-UHFFFAOYSA-N -1 3 317.367 0.187 20 5 DCBDHM CCOC(=O)C[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000269285356 396403795 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O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2n[n-]nc2c1 ZINC000129913495 415914476 /nfs/dbraw/zinc/91/44/76/415914476.db2.gz SATGBSMDTDJJDL-UHFFFAOYSA-N -1 3 301.266 0.493 20 5 DCBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337776956 416007965 /nfs/dbraw/zinc/00/79/65/416007965.db2.gz IEAAVYBMYQNVDY-VIFPVBQESA-N -1 3 315.351 0.706 20 5 DCBDHM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195477230 416326513 /nfs/dbraw/zinc/32/65/13/416326513.db2.gz PZJVQOLTLSTNPG-KWQFWETISA-N -1 3 313.335 0.398 20 5 DCBDHM Cc1cc(N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360089394 416370234 /nfs/dbraw/zinc/37/02/34/416370234.db2.gz LOZOZJOPRLLBIX-NSHDSACASA-N -1 3 308.269 0.783 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(N)=O)cc1C ZINC000360503723 416393623 /nfs/dbraw/zinc/39/36/23/416393623.db2.gz ABSFAEXSJMSVPU-SECBINFHSA-N -1 3 315.351 0.754 20 5 DCBDHM CCC[C@@H](O)[C@@H](CO)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000419803138 416413123 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O=C(NC[C@@H]1CCCN1CCCO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452376225 417478621 /nfs/dbraw/zinc/47/86/21/417478621.db2.gz YVVQJSZYALGQAR-NSHDSACASA-N -1 3 324.337 0.272 20 5 DCBDHM CNc1nc(C(=O)[N-]c2nnc(C)n2C2CC2)ccc1[N+](=O)[O-] ZINC000456069288 417622859 /nfs/dbraw/zinc/62/28/59/417622859.db2.gz YKHUVLDJPWHYQP-UHFFFAOYSA-N -1 3 317.309 1.519 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2N)[n-]1 ZINC000487056495 272036898 /nfs/dbraw/zinc/03/68/98/272036898.db2.gz IYGXUETWTGRQSK-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000487056495 272036899 /nfs/dbraw/zinc/03/68/99/272036899.db2.gz IYGXUETWTGRQSK-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2N)n[n-]1 ZINC000487056495 272036901 /nfs/dbraw/zinc/03/69/01/272036901.db2.gz IYGXUETWTGRQSK-UHFFFAOYSA-N -1 3 320.265 0.263 20 5 DCBDHM COc1cc(CNCCN2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000554686769 288335621 /nfs/dbraw/zinc/33/56/21/288335621.db2.gz MCFBZDHDPKMJEK-UHFFFAOYSA-N -1 3 311.338 0.731 20 5 DCBDHM COC[C@@H](CCO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000230194598 292807200 /nfs/dbraw/zinc/80/72/00/292807200.db2.gz FCXWSNRHDJKEJR-SNVBAGLBSA-N -1 3 318.351 0.579 20 5 DCBDHM C[S@@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737170194 598896106 /nfs/dbraw/zinc/89/61/06/598896106.db2.gz HQQCEHSFXVCFBN-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737170194 598896107 /nfs/dbraw/zinc/89/61/07/598896107.db2.gz HQQCEHSFXVCFBN-JOCHJYFZSA-N -1 3 320.294 0.093 20 5 DCBDHM COC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736967703 598756104 /nfs/dbraw/zinc/75/61/04/598756104.db2.gz MRDPEPAMLKRWJQ-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736967703 598756105 /nfs/dbraw/zinc/75/61/05/598756105.db2.gz MRDPEPAMLKRWJQ-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM C[C@@H]1COCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000825005598 607822683 /nfs/dbraw/zinc/82/26/83/607822683.db2.gz ADGGRYZGWSAERC-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM C[C@@H]1COCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000825005598 607822684 /nfs/dbraw/zinc/82/26/84/607822684.db2.gz ADGGRYZGWSAERC-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM O=C([O-])NC[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834226358 605648470 /nfs/dbraw/zinc/64/84/70/605648470.db2.gz WHDSRRIFNNOCPN-SNVBAGLBSA-N -1 3 310.310 0.346 20 5 DCBDHM CCN(CC(=O)NC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821165117 606164483 /nfs/dbraw/zinc/16/44/83/606164483.db2.gz PJPVSCSOOUWYPL-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CCN(CC(=O)NC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821165117 606164484 /nfs/dbraw/zinc/16/44/84/606164484.db2.gz PJPVSCSOOUWYPL-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821594751 606200480 /nfs/dbraw/zinc/20/04/80/606200480.db2.gz AXTYZSBLCAUWRN-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM CN(C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821594751 606200482 /nfs/dbraw/zinc/20/04/82/606200482.db2.gz AXTYZSBLCAUWRN-LBPRGKRZSA-N -1 3 304.310 0.982 20 5 DCBDHM CC(C)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820132895 607166691 /nfs/dbraw/zinc/16/66/91/607166691.db2.gz NFXIZFHIQFAGQM-UHFFFAOYSA-N -1 3 318.341 0.700 20 5 DCBDHM O=C1NCCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826482537 607840788 /nfs/dbraw/zinc/84/07/88/607840788.db2.gz IKSBBTOILDSYRA-SNVBAGLBSA-N -1 3 317.309 0.856 20 5 DCBDHM CC(C)OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824309482 607873142 /nfs/dbraw/zinc/87/31/42/607873142.db2.gz QGMXDUPYZXGJEF-SNVBAGLBSA-N -1 3 323.309 0.940 20 5 DCBDHM CC(C)OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824309482 607873143 /nfs/dbraw/zinc/87/31/43/607873143.db2.gz QGMXDUPYZXGJEF-SNVBAGLBSA-N -1 3 323.309 0.940 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCNC1=O ZINC000826004270 607969620 /nfs/dbraw/zinc/96/96/20/607969620.db2.gz QHOZBPVEJJTFAX-JTQLQIEISA-N -1 3 303.282 0.100 20 5 DCBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCNC1=O ZINC000826004270 607969621 /nfs/dbraw/zinc/96/96/21/607969621.db2.gz QHOZBPVEJJTFAX-JTQLQIEISA-N -1 3 303.282 0.100 20 5 DCBDHM COCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(N)=O ZINC000826155235 608587669 /nfs/dbraw/zinc/58/76/69/608587669.db2.gz KHQHSOHTBJGVEY-VIFPVBQESA-N -1 3 321.297 0.077 20 5 DCBDHM COCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(N)=O ZINC000826155235 608587671 /nfs/dbraw/zinc/58/76/71/608587671.db2.gz KHQHSOHTBJGVEY-VIFPVBQESA-N -1 3 321.297 0.077 20 5 DCBDHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000049499091 657468143 /nfs/dbraw/zinc/46/81/43/657468143.db2.gz SLTRSYDVYVQEPE-SECBINFHSA-N -1 3 316.335 0.966 20 5 DCBDHM O=C([N-]N1CN=NC1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762814772 668379801 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NC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000845860874 672279306 /nfs/dbraw/zinc/27/93/06/672279306.db2.gz FANUSYFURREHID-UHFFFAOYSA-N -1 3 314.323 0.066 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001581808424 1165879140 /nfs/dbraw/zinc/87/91/40/1165879140.db2.gz BNFQXXKDZWYQDA-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001581808424 1165879147 /nfs/dbraw/zinc/87/91/47/1165879147.db2.gz BNFQXXKDZWYQDA-UHFFFAOYSA-N -1 3 315.253 0.156 20 5 DCBDHM C[C@H]1[C@@H](CO)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590172162 1166801991 /nfs/dbraw/zinc/80/19/91/1166801991.db2.gz YVFRIOPYWOFTEZ-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1[C@@H](CO)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590172162 1166801996 /nfs/dbraw/zinc/80/19/96/1166801996.db2.gz YVFRIOPYWOFTEZ-WCBMZHEXSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1C[C@@H](CO)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191266 1166803513 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305.298 0.785 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590333539 1166870060 /nfs/dbraw/zinc/87/00/60/1166870060.db2.gz HQWYIRCKGFAMLF-OQPBUACISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334584 1166874656 /nfs/dbraw/zinc/87/46/56/1166874656.db2.gz ROFXLGMSJFPCDP-MADCSZMMSA-N -1 3 321.297 0.122 20 5 DCBDHM C[C@@H]1OCC[C@]1(O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334584 1166874661 /nfs/dbraw/zinc/87/46/61/1166874661.db2.gz ROFXLGMSJFPCDP-MADCSZMMSA-N -1 3 321.297 0.122 20 5 DCBDHM CCN1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001590735911 1166996079 /nfs/dbraw/zinc/99/60/79/1166996079.db2.gz MYJRPCRONAJRSK-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CCN1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001590735911 1166996081 /nfs/dbraw/zinc/99/60/81/1166996081.db2.gz MYJRPCRONAJRSK-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CCNC(=O)CN(CC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590740249 1166997609 /nfs/dbraw/zinc/99/76/09/1166997609.db2.gz NHQGYEKAFJGLOH-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCNC(=O)CN(CC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590740249 1166997614 /nfs/dbraw/zinc/99/76/14/1166997614.db2.gz NHQGYEKAFJGLOH-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CN(C[C@@H]1CCC[C@H]1O)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591055469 1167098452 /nfs/dbraw/zinc/09/84/52/1167098452.db2.gz HJZYUWZKNDMZOJ-GZMMTYOYSA-N -1 3 319.325 0.767 20 5 DCBDHM CN(C[C@@H]1CCC[C@H]1O)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591055469 1167098458 /nfs/dbraw/zinc/09/84/58/1167098458.db2.gz HJZYUWZKNDMZOJ-GZMMTYOYSA-N -1 3 319.325 0.767 20 5 DCBDHM CN(Cc1c[nH]cn1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591127129 1167110517 /nfs/dbraw/zinc/11/05/17/1167110517.db2.gz ZBMXMCJCAGWEPG-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CN(Cc1c[nH]cn1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591127129 1167110523 /nfs/dbraw/zinc/11/05/23/1167110523.db2.gz ZBMXMCJCAGWEPG-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CNC(=O)C(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591198312 1167148587 /nfs/dbraw/zinc/14/85/87/1167148587.db2.gz PLGSNEBXGGUTCK-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CNC(=O)C(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591198312 1167148590 /nfs/dbraw/zinc/14/85/90/1167148590.db2.gz PLGSNEBXGGUTCK-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CO[C@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591355403 1167230293 /nfs/dbraw/zinc/23/02/93/1167230293.db2.gz UJVCYTRLDINDHH-XCBNKYQSSA-N -1 3 319.325 0.971 20 5 DCBDHM CO[C@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591355403 1167230299 /nfs/dbraw/zinc/23/02/99/1167230299.db2.gz UJVCYTRLDINDHH-XCBNKYQSSA-N -1 3 319.325 0.971 20 5 DCBDHM Cc1cc(NC[C@H]2CNC(=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045565 1167445224 /nfs/dbraw/zinc/44/52/24/1167445224.db2.gz UOJYHSOODIBUMH-QMMMGPOBSA-N -1 3 317.309 0.631 20 5 DCBDHM Cc1cc(NC[C@H]2CNC(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045565 1167445232 /nfs/dbraw/zinc/44/52/32/1167445232.db2.gz UOJYHSOODIBUMH-QMMMGPOBSA-N -1 3 317.309 0.631 20 5 DCBDHM Cc1nnsc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592454065 1167530095 /nfs/dbraw/zinc/53/00/95/1167530095.db2.gz KELHUWDURPQGJT-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM Cc1nnsc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592454065 1167530100 /nfs/dbraw/zinc/53/01/00/1167530100.db2.gz KELHUWDURPQGJT-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM NC(=O)[C@H]1CCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592735202 1167619824 /nfs/dbraw/zinc/61/98/24/1167619824.db2.gz KHJGRAYYRJJWNE-LLVKDONJSA-N -1 3 317.309 0.225 20 5 DCBDHM NC(=O)[C@H]1CCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592735202 1167619830 /nfs/dbraw/zinc/61/98/30/1167619830.db2.gz KHJGRAYYRJJWNE-LLVKDONJSA-N -1 3 317.309 0.225 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCn2ccnn2)c1-c1nnn[n-]1 ZINC001592756967 1167634119 /nfs/dbraw/zinc/63/41/19/1167634119.db2.gz FRFGRXPIRVRYJJ-UHFFFAOYSA-N -1 3 316.285 0.061 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCn2ccnn2)c1-c1nn[n-]n1 ZINC001592756967 1167634122 /nfs/dbraw/zinc/63/41/22/1167634122.db2.gz FRFGRXPIRVRYJJ-UHFFFAOYSA-N -1 3 316.285 0.061 20 5 DCBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001593296757 1167764589 /nfs/dbraw/zinc/76/45/89/1167764589.db2.gz SEZQWCOPMVXWIQ-SNVBAGLBSA-N -1 3 319.277 0.855 20 5 DCBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001593296757 1167764597 /nfs/dbraw/zinc/76/45/97/1167764597.db2.gz SEZQWCOPMVXWIQ-SNVBAGLBSA-N -1 3 319.277 0.855 20 5 DCBDHM O=C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCN1 ZINC001593394627 1167808650 /nfs/dbraw/zinc/80/86/50/1167808650.db2.gz SGXAJVZEUNUDKW-UHFFFAOYSA-N -1 3 303.282 0.101 20 5 DCBDHM O=C1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)N1 ZINC001593395832 1167809894 /nfs/dbraw/zinc/80/98/94/1167809894.db2.gz VCXMDOPUGVQAFV-QMMMGPOBSA-N -1 3 303.282 0.465 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCn1ncnn1 ZINC001593468485 1167856635 /nfs/dbraw/zinc/85/66/35/1167856635.db2.gz MKBCETYRRQARCN-UHFFFAOYSA-N -1 3 320.248 0.013 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCn1ncnn1 ZINC001593468485 1167856646 /nfs/dbraw/zinc/85/66/46/1167856646.db2.gz MKBCETYRRQARCN-UHFFFAOYSA-N -1 3 320.248 0.013 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCn2cnnc2C1 ZINC001593473818 1167861400 /nfs/dbraw/zinc/86/14/00/1167861400.db2.gz BOFPKYVXUYKMTL-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCn2cnnc2C1 ZINC001593473818 1167861410 /nfs/dbraw/zinc/86/14/10/1167861410.db2.gz BOFPKYVXUYKMTL-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H](O)[C@H]1CCCO1 ZINC001593481651 1167865941 /nfs/dbraw/zinc/86/59/41/1167865941.db2.gz TXBGNGXVWRXYNF-GHMZBOCLSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H](O)[C@H]1CCCO1 ZINC001593481651 1167865952 /nfs/dbraw/zinc/86/59/52/1167865952.db2.gz TXBGNGXVWRXYNF-GHMZBOCLSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCS(=O)(=O)CC1 ZINC001593481604 1167866746 /nfs/dbraw/zinc/86/67/46/1167866746.db2.gz SPNKQMIBIVPWCD-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCS(=O)(=O)CC1 ZINC001593481604 1167866755 /nfs/dbraw/zinc/86/67/55/1167866755.db2.gz SPNKQMIBIVPWCD-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001597699251 1168011249 /nfs/dbraw/zinc/01/12/49/1168011249.db2.gz AZSCGYISHISFAV-SECBINFHSA-N -1 3 307.306 0.503 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603695582 1169358932 /nfs/dbraw/zinc/35/89/32/1169358932.db2.gz MGTVSVRACAYNQK-HTQZYQBOSA-N -1 3 319.325 0.564 20 5 DCBDHM C[C@@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603695582 1169358940 /nfs/dbraw/zinc/35/89/40/1169358940.db2.gz MGTVSVRACAYNQK-HTQZYQBOSA-N -1 3 319.325 0.564 20 5 DCBDHM CC1(C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001603788214 1169390596 /nfs/dbraw/zinc/39/05/96/1169390596.db2.gz QPLSIDXPGCYXRL-JTQLQIEISA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001603788214 1169390600 /nfs/dbraw/zinc/39/06/00/1169390600.db2.gz QPLSIDXPGCYXRL-JTQLQIEISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@]1(O)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603819104 1169404563 /nfs/dbraw/zinc/40/45/63/1169404563.db2.gz CXLVGAUZPVXMLT-LBPRGKRZSA-N -1 3 308.273 0.875 20 5 DCBDHM C[C@]1(O)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603819104 1169404566 /nfs/dbraw/zinc/40/45/66/1169404566.db2.gz CXLVGAUZPVXMLT-LBPRGKRZSA-N -1 3 308.273 0.875 20 5 DCBDHM CNC(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604875915 1169724994 /nfs/dbraw/zinc/72/49/94/1169724994.db2.gz IZLCDUKNCPHCGC-SECBINFHSA-N -1 3 317.309 0.347 20 5 DCBDHM CNC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604875915 1169724998 /nfs/dbraw/zinc/72/49/98/1169724998.db2.gz IZLCDUKNCPHCGC-SECBINFHSA-N -1 3 317.309 0.347 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604903085 1169736664 /nfs/dbraw/zinc/73/66/64/1169736664.db2.gz SYHIOPRQSRYCKR-LURJTMIESA-N -1 3 321.297 0.578 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604903085 1169736671 /nfs/dbraw/zinc/73/66/71/1169736671.db2.gz SYHIOPRQSRYCKR-LURJTMIESA-N -1 3 321.297 0.578 20 5 DCBDHM COC(=O)C(C)(C)NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604900809 1169737016 /nfs/dbraw/zinc/73/70/16/1169737016.db2.gz JJHPJTAQPAOBHM-UHFFFAOYSA-N -1 3 320.309 0.816 20 5 DCBDHM COC(=O)C(C)(C)NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604900809 1169737021 /nfs/dbraw/zinc/73/70/21/1169737021.db2.gz JJHPJTAQPAOBHM-UHFFFAOYSA-N -1 3 320.309 0.816 20 5 DCBDHM CO[C@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001605038536 1169789216 /nfs/dbraw/zinc/78/92/16/1169789216.db2.gz YIPSVUASRIYAPU-GFCCVEGCSA-N -1 3 320.309 0.580 20 5 DCBDHM CO[C@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001605038536 1169789220 /nfs/dbraw/zinc/78/92/20/1169789220.db2.gz YIPSVUASRIYAPU-GFCCVEGCSA-N -1 3 320.309 0.580 20 5 DCBDHM CON1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001605143122 1169845650 /nfs/dbraw/zinc/84/56/50/1169845650.db2.gz GKHQTTITBLAVNB-UHFFFAOYSA-N -1 3 320.313 0.608 20 5 DCBDHM CON1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001605143122 1169845663 /nfs/dbraw/zinc/84/56/63/1169845663.db2.gz GKHQTTITBLAVNB-UHFFFAOYSA-N -1 3 320.313 0.608 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001605445127 1169923287 /nfs/dbraw/zinc/92/32/87/1169923287.db2.gz GVKFXEQSISZBMK-OCAPTIKFSA-N -1 3 305.298 0.784 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001605445127 1169923291 /nfs/dbraw/zinc/92/32/91/1169923291.db2.gz GVKFXEQSISZBMK-OCAPTIKFSA-N -1 3 305.298 0.784 20 5 DCBDHM Cc1n[nH]cc1CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001606014594 1170048688 /nfs/dbraw/zinc/04/86/88/1170048688.db2.gz OHFWXRJQUVMYBZ-UHFFFAOYSA-N -1 3 315.297 0.838 20 5 DCBDHM Cc1n[nH]cc1CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001606014594 1170048691 /nfs/dbraw/zinc/04/86/91/1170048691.db2.gz OHFWXRJQUVMYBZ-UHFFFAOYSA-N -1 3 315.297 0.838 20 5 DCBDHM NC(=O)CC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001606410593 1170189564 /nfs/dbraw/zinc/18/95/64/1170189564.db2.gz IENSGKFOFWTITC-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM NC(=O)CC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001606410593 1170189567 /nfs/dbraw/zinc/18/95/67/1170189567.db2.gz IENSGKFOFWTITC-UHFFFAOYSA-N -1 3 303.282 0.087 20 5 DCBDHM O=[N+]([O-])CCN1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001607076888 1170382896 /nfs/dbraw/zinc/38/28/96/1170382896.db2.gz XFMQZPWQMQZYNO-LBPRGKRZSA-N -1 3 304.310 0.517 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001607080895 1170384882 /nfs/dbraw/zinc/38/48/82/1170384882.db2.gz SZRGLHJUFQIVCC-KCJUWKMLSA-N -1 3 317.309 0.785 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001607080895 1170384886 /nfs/dbraw/zinc/38/48/86/1170384886.db2.gz SZRGLHJUFQIVCC-KCJUWKMLSA-N -1 3 317.309 0.785 20 5 DCBDHM C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609152522 1170829811 /nfs/dbraw/zinc/82/98/11/1170829811.db2.gz GAIFTBXXGKNOIB-MRVPVSSYSA-N -1 3 317.309 0.095 20 5 DCBDHM C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609152522 1170829817 /nfs/dbraw/zinc/82/98/17/1170829817.db2.gz GAIFTBXXGKNOIB-MRVPVSSYSA-N -1 3 317.309 0.095 20 5 DCBDHM Cc1cc(NCC[S@](C)=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609410750 1170969246 /nfs/dbraw/zinc/96/92/46/1170969246.db2.gz XBHQTDWLKGARNK-NRFANRHFSA-N -1 3 310.339 0.874 20 5 DCBDHM Cc1cc(NCC[S@](C)=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609410750 1170969249 /nfs/dbraw/zinc/96/92/49/1170969249.db2.gz XBHQTDWLKGARNK-NRFANRHFSA-N -1 3 310.339 0.874 20 5 DCBDHM CNC(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001610139931 1171173065 /nfs/dbraw/zinc/17/30/65/1171173065.db2.gz ZFEPSUXAQHHLNK-JTQLQIEISA-N -1 3 307.306 0.861 20 5 DCBDHM N[C@@H](CCC(=O)[O-])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001610640865 1171277327 /nfs/dbraw/zinc/27/73/27/1171277327.db2.gz GHRXJVZMWPHABH-VIFPVBQESA-N -1 3 310.310 0.315 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001613030412 1171366639 /nfs/dbraw/zinc/36/66/39/1171366639.db2.gz RLOGYZXSCRCCQN-QMMMGPOBSA-N -1 3 305.298 0.515 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001653701347 1173792582 /nfs/dbraw/zinc/79/25/82/1173792582.db2.gz WPBHDGVERWZHOR-UHFFFAOYSA-N -1 3 307.353 0.379 20 5 DCBDHM CCN(CCNC(=O)c1cocn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100466684 747111667 /nfs/dbraw/zinc/11/16/67/747111667.db2.gz YTVMIAFPSIJXHL-UHFFFAOYSA-N -1 3 321.293 0.940 20 5 DCBDHM Cc1cc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)ccc1[N+](=O)[O-] ZINC001167404754 747161460 /nfs/dbraw/zinc/16/14/60/747161460.db2.gz GAMYBAHUVUXEOP-QMMMGPOBSA-N -1 3 306.278 0.831 20 5 DCBDHM Cc1ccnc(N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)c1[N+](=O)[O-] ZINC001059880533 749671844 /nfs/dbraw/zinc/67/18/44/749671844.db2.gz OLVMADGRESZBSU-DTORHVGOSA-N -1 3 317.309 0.789 20 5 DCBDHM O=C(NC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cn[n-]n1 ZINC001057973652 759673818 /nfs/dbraw/zinc/67/38/18/759673818.db2.gz QEUVXOOFJXEMFA-UHFFFAOYSA-N -1 3 317.309 0.507 20 5 DCBDHM O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cnc[n-]c1=O ZINC001130076998 763116474 /nfs/dbraw/zinc/11/64/74/763116474.db2.gz LIMNKQLLGILNSW-UHFFFAOYSA-N -1 3 323.334 0.672 20 5 DCBDHM CCCOCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101517955 764129477 /nfs/dbraw/zinc/12/94/77/764129477.db2.gz VXFJPVSCSYYNAG-UHFFFAOYSA-N -1 3 312.326 0.992 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001116428926 765870595 /nfs/dbraw/zinc/87/05/95/765870595.db2.gz HBZZLBYUZYDUFL-UHFFFAOYSA-N -1 3 305.176 0.718 20 5 DCBDHM 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O=[N+]([O-])c1ccc2nc(N3CC(O)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823643856 599522337 /nfs/dbraw/zinc/52/23/37/599522337.db2.gz CSWLEEDAIIKNRG-UHFFFAOYSA-N -1 3 313.277 0.504 20 5 DCBDHM O=C([O-])CN(CCN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000739789504 600146188 /nfs/dbraw/zinc/14/61/88/600146188.db2.gz ASCMAYQATOKHPV-UHFFFAOYSA-N -1 3 323.349 0.814 20 5 DCBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1=O ZINC000821622305 606645455 /nfs/dbraw/zinc/64/54/55/606645455.db2.gz YROWHWUDGAAGMH-JTQLQIEISA-N -1 3 317.309 0.442 20 5 DCBDHM COc1c([O-])ccc(CN2CCN(C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000893709657 661354126 /nfs/dbraw/zinc/35/41/26/661354126.db2.gz AFHBHCKXMGELAE-SECBINFHSA-N -1 3 309.322 0.972 20 5 DCBDHM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000728290929 662374862 /nfs/dbraw/zinc/37/48/62/662374862.db2.gz CFSFXEVFFAVXFL-QMMMGPOBSA-N -1 3 320.710 0.842 20 5 DCBDHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000779866793 668945919 /nfs/dbraw/zinc/94/59/19/668945919.db2.gz LLUPQZWVGSIRIH-NSHDSACASA-N -1 3 314.319 0.372 20 5 DCBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126440 670970097 /nfs/dbraw/zinc/97/00/97/670970097.db2.gz OHHHDTFHBAJVCE-MRVPVSSYSA-N -1 3 310.372 0.549 20 5 DCBDHM CCS(=O)(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853243622 671224078 /nfs/dbraw/zinc/22/40/78/671224078.db2.gz ONHBKVYWSZELAQ-UHFFFAOYSA-N -1 3 316.339 0.167 20 5 DCBDHM O=C1OCCN1C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853649935 671255375 /nfs/dbraw/zinc/25/53/75/671255375.db2.gz HWNQQYJSGQLTJK-SECBINFHSA-N -1 3 308.294 0.974 20 5 DCBDHM CC(C)(O)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001573923771 1163589068 /nfs/dbraw/zinc/58/90/68/1163589068.db2.gz ZCAWFLQFKUQTBF-SECBINFHSA-N -1 3 319.325 0.767 20 5 DCBDHM CC(C)(O)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001573923771 1163589072 /nfs/dbraw/zinc/58/90/72/1163589072.db2.gz ZCAWFLQFKUQTBF-SECBINFHSA-N -1 3 319.325 0.767 20 5 DCBDHM CC(C)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OCCO ZINC001589293337 1166644314 /nfs/dbraw/zinc/64/43/14/1166644314.db2.gz UZFGRWGXZFGQLN-UHFFFAOYSA-N -1 3 322.325 0.974 20 5 DCBDHM CC(C)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OCCO ZINC001589293337 1166644316 /nfs/dbraw/zinc/64/43/16/1166644316.db2.gz UZFGRWGXZFGQLN-UHFFFAOYSA-N -1 3 322.325 0.974 20 5 DCBDHM C[C@@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001589994716 1166739782 /nfs/dbraw/zinc/73/97/82/1166739782.db2.gz IJDLNYGFNPSYHF-PRHODGIISA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001589994716 1166739785 /nfs/dbraw/zinc/73/97/85/1166739785.db2.gz IJDLNYGFNPSYHF-PRHODGIISA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590150649 1166790281 /nfs/dbraw/zinc/79/02/81/1166790281.db2.gz KGROFJLGCNHMLF-ZDUSSCGKSA-N -1 3 319.325 0.708 20 5 DCBDHM C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590150649 1166790287 /nfs/dbraw/zinc/79/02/87/1166790287.db2.gz KGROFJLGCNHMLF-ZDUSSCGKSA-N -1 3 319.325 0.708 20 5 DCBDHM C[C@H]1CC(=O)NN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590180967 1166800612 /nfs/dbraw/zinc/80/06/12/1166800612.db2.gz ZDJVOJKNJSQURR-ZETCQYMHSA-N -1 3 303.282 0.400 20 5 DCBDHM C[C@H]1CC(=O)NN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590180967 1166800619 /nfs/dbraw/zinc/80/06/19/1166800619.db2.gz ZDJVOJKNJSQURR-ZETCQYMHSA-N -1 3 303.282 0.400 20 5 DCBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1CO ZINC001590276349 1166837039 /nfs/dbraw/zinc/83/70/39/1166837039.db2.gz KMIGOGOMDDBBLT-RKDXNWHRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1CO ZINC001590276349 1166837050 /nfs/dbraw/zinc/83/70/50/1166837050.db2.gz KMIGOGOMDDBBLT-RKDXNWHRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590334583 1166874802 /nfs/dbraw/zinc/87/48/02/1166874802.db2.gz ROFXLGMSJFPCDP-KRTXAFLBSA-N -1 3 321.297 0.122 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590334583 1166874814 /nfs/dbraw/zinc/87/48/14/1166874814.db2.gz ROFXLGMSJFPCDP-KRTXAFLBSA-N -1 3 321.297 0.122 20 5 DCBDHM CCN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC001590724222 1166983499 /nfs/dbraw/zinc/98/34/99/1166983499.db2.gz DDJNXYZPTVCUTF-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CCN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC001590724222 1166983508 /nfs/dbraw/zinc/98/35/08/1166983508.db2.gz DDJNXYZPTVCUTF-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CN(C)C(=O)OCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591004428 1167074947 /nfs/dbraw/zinc/07/49/47/1167074947.db2.gz AYBKMUCTDKIZNA-UHFFFAOYSA-N -1 3 322.285 0.280 20 5 DCBDHM CN(C)C(=O)OCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591004428 1167074957 /nfs/dbraw/zinc/07/49/57/1167074957.db2.gz AYBKMUCTDKIZNA-UHFFFAOYSA-N -1 3 322.285 0.280 20 5 DCBDHM CN(C)c1cc(C(=O)OCCC[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001591028601 1167085973 /nfs/dbraw/zinc/08/59/73/1167085973.db2.gz PDOBMQOEFUFGFX-UHFFFAOYSA-N -1 3 320.309 0.756 20 5 DCBDHM CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591126116 1167110138 /nfs/dbraw/zinc/11/01/38/1167110138.db2.gz PMBHQPHOAXCEDP-MRVPVSSYSA-N -1 3 319.325 0.972 20 5 DCBDHM CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591126116 1167110142 /nfs/dbraw/zinc/11/01/42/1167110142.db2.gz PMBHQPHOAXCEDP-MRVPVSSYSA-N -1 3 319.325 0.972 20 5 DCBDHM CN(C[C@H]1CCCO1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591125979 1167111922 /nfs/dbraw/zinc/11/19/22/1167111922.db2.gz MSBZWCHNNJXMRZ-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM CN(C[C@H]1CCCO1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591125979 1167111928 /nfs/dbraw/zinc/11/19/28/1167111928.db2.gz MSBZWCHNNJXMRZ-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM CN1CCOC[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591195219 1167144472 /nfs/dbraw/zinc/14/44/72/1167144472.db2.gz WVKTXFWXAKDYRL-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCOC[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591195219 1167144474 /nfs/dbraw/zinc/14/44/74/1167144474.db2.gz WVKTXFWXAKDYRL-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM COC(=O)[C@@H](F)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591277676 1167195848 /nfs/dbraw/zinc/19/58/48/1167195848.db2.gz YIJUFDCYMHFXRR-ZETCQYMHSA-N -1 3 310.245 0.698 20 5 DCBDHM COC(=O)[C@@H](F)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591277676 1167195853 /nfs/dbraw/zinc/19/58/53/1167195853.db2.gz YIJUFDCYMHFXRR-ZETCQYMHSA-N -1 3 310.245 0.698 20 5 DCBDHM COC(=O)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591283383 1167199654 /nfs/dbraw/zinc/19/96/54/1167199654.db2.gz TZONGSKMRMCLDR-LJGSYFOKSA-N -1 3 319.281 0.533 20 5 DCBDHM COC(=O)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591283383 1167199659 /nfs/dbraw/zinc/19/96/59/1167199659.db2.gz TZONGSKMRMCLDR-LJGSYFOKSA-N -1 3 319.281 0.533 20 5 DCBDHM CO[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCO1 ZINC001591359994 1167234408 /nfs/dbraw/zinc/23/44/08/1167234408.db2.gz GHVIZXORVFTGHJ-SECBINFHSA-N -1 3 321.297 0.166 20 5 DCBDHM CO[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCO1 ZINC001591359994 1167234415 /nfs/dbraw/zinc/23/44/15/1167234415.db2.gz GHVIZXORVFTGHJ-SECBINFHSA-N -1 3 321.297 0.166 20 5 DCBDHM COCOCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591452070 1167292915 /nfs/dbraw/zinc/29/29/15/1167292915.db2.gz REAWJEHBSISJGA-UHFFFAOYSA-N -1 3 309.286 0.592 20 5 DCBDHM COCOCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591452070 1167292920 /nfs/dbraw/zinc/29/29/20/1167292920.db2.gz REAWJEHBSISJGA-UHFFFAOYSA-N -1 3 309.286 0.592 20 5 DCBDHM Cc1cc(N[C@@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592035828 1167441843 /nfs/dbraw/zinc/44/18/43/1167441843.db2.gz AYWXBKILNWJSPM-MRVPVSSYSA-N -1 3 317.309 0.726 20 5 DCBDHM Cc1cc(N[C@@H]2CC(=O)N(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592035828 1167441845 /nfs/dbraw/zinc/44/18/45/1167441845.db2.gz AYWXBKILNWJSPM-MRVPVSSYSA-N -1 3 317.309 0.726 20 5 DCBDHM NC(=O)[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592735241 1167620992 /nfs/dbraw/zinc/62/09/92/1167620992.db2.gz MGKSZAJHEHATHW-POYBYMJQSA-N -1 3 318.297 0.236 20 5 DCBDHM NC(=O)[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592735241 1167620996 /nfs/dbraw/zinc/62/09/96/1167620996.db2.gz MGKSZAJHEHATHW-POYBYMJQSA-N -1 3 318.297 0.236 20 5 DCBDHM Nc1ccn(Cc2ccccc2-c2nnn[n-]2)c(=O)c1[N+](=O)[O-] ZINC001592760895 1167635513 /nfs/dbraw/zinc/63/55/13/1167635513.db2.gz WZGGKUXLKXNYET-UHFFFAOYSA-N -1 3 313.277 0.567 20 5 DCBDHM Nc1ccn(Cc2ccccc2-c2nn[n-]n2)c(=O)c1[N+](=O)[O-] ZINC001592760895 1167635519 /nfs/dbraw/zinc/63/55/19/1167635519.db2.gz WZGGKUXLKXNYET-UHFFFAOYSA-N -1 3 313.277 0.567 20 5 DCBDHM O=C1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001593399114 1167812568 /nfs/dbraw/zinc/81/25/68/1167812568.db2.gz BJWWKDQTQGIIMS-UHFFFAOYSA-N -1 3 315.293 0.543 20 5 DCBDHM O=C1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001593399114 1167812575 /nfs/dbraw/zinc/81/25/75/1167812575.db2.gz BJWWKDQTQGIIMS-UHFFFAOYSA-N -1 3 315.293 0.543 20 5 DCBDHM O=C1NCCN1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593409833 1167819405 /nfs/dbraw/zinc/81/94/05/1167819405.db2.gz PPIJXANLULTXPZ-UHFFFAOYSA-N -1 3 318.297 0.212 20 5 DCBDHM O=C1NCCN1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593409833 1167819419 /nfs/dbraw/zinc/81/94/19/1167819419.db2.gz PPIJXANLULTXPZ-UHFFFAOYSA-N -1 3 318.297 0.212 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001593468923 1167858601 /nfs/dbraw/zinc/85/86/01/1167858601.db2.gz WGGLUCVGSFRAQT-AOOOYVTPSA-N -1 3 318.293 0.379 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001593468923 1167858613 /nfs/dbraw/zinc/85/86/13/1167858613.db2.gz WGGLUCVGSFRAQT-AOOOYVTPSA-N -1 3 318.293 0.379 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CCn1cc([N+](=O)[O-])cn1 ZINC001594341545 1167965579 /nfs/dbraw/zinc/96/55/79/1167965579.db2.gz VAUDJZXKSXOWRP-LPTSXCQYSA-N -1 3 324.337 0.886 20 5 DCBDHM O=C([O-])c1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001602246160 1169041544 /nfs/dbraw/zinc/04/15/44/1169041544.db2.gz HTAKWELBNADXJE-LLVKDONJSA-N -1 3 309.278 0.011 20 5 DCBDHM C[C@@H](O)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603694825 1169359530 /nfs/dbraw/zinc/35/95/30/1169359530.db2.gz AKJDUFVUIBBOEZ-SSDOTTSWSA-N -1 3 307.314 0.930 20 5 DCBDHM C[C@@H](O)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603694825 1169359543 /nfs/dbraw/zinc/35/95/43/1169359543.db2.gz AKJDUFVUIBBOEZ-SSDOTTSWSA-N -1 3 307.314 0.930 20 5 DCBDHM CC[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604093340 1169490452 /nfs/dbraw/zinc/49/04/52/1169490452.db2.gz ABDQZIPEUJDIAL-LBPRGKRZSA-N -1 3 305.298 0.521 20 5 DCBDHM CC[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604093340 1169490454 /nfs/dbraw/zinc/49/04/54/1169490454.db2.gz ABDQZIPEUJDIAL-LBPRGKRZSA-N -1 3 305.298 0.521 20 5 DCBDHM CCn1ncnc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604624165 1169634277 /nfs/dbraw/zinc/63/42/77/1169634277.db2.gz SHHSHIDIQIOYAN-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ncnc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604624165 1169634283 /nfs/dbraw/zinc/63/42/83/1169634283.db2.gz SHHSHIDIQIOYAN-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(Cc1ncccn1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604824417 1169697797 /nfs/dbraw/zinc/69/77/97/1169697797.db2.gz WVCBBMRVKYYYSO-UHFFFAOYSA-N -1 3 313.281 0.596 20 5 DCBDHM CN(Cc1ncccn1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604824417 1169697800 /nfs/dbraw/zinc/69/78/00/1169697800.db2.gz WVCBBMRVKYYYSO-UHFFFAOYSA-N -1 3 313.281 0.596 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604901824 1169736131 /nfs/dbraw/zinc/73/61/31/1169736131.db2.gz AMGICLRGPGUGCB-LURJTMIESA-N -1 3 307.270 0.391 20 5 DCBDHM COC(=O)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604901824 1169736138 /nfs/dbraw/zinc/73/61/38/1169736138.db2.gz AMGICLRGPGUGCB-LURJTMIESA-N -1 3 307.270 0.391 20 5 DCBDHM COCC1=CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001605068301 1169805514 /nfs/dbraw/zinc/80/55/14/1169805514.db2.gz SPVQLEYXJLEZLC-UHFFFAOYSA-N -1 3 317.309 0.953 20 5 DCBDHM COCC1=CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001605068301 1169805519 /nfs/dbraw/zinc/80/55/19/1169805519.db2.gz SPVQLEYXJLEZLC-UHFFFAOYSA-N -1 3 317.309 0.953 20 5 DCBDHM Cn1ncc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001606276499 1170145440 /nfs/dbraw/zinc/14/54/40/1170145440.db2.gz RWVITJGZYNIKFE-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1ncc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001606276499 1170145445 /nfs/dbraw/zinc/14/54/45/1170145445.db2.gz RWVITJGZYNIKFE-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM NC(=O)C1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001606408554 1170188228 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ZINC001662754470 1174238720 /nfs/dbraw/zinc/23/87/20/1174238720.db2.gz GQCUEQPXTAOBSY-UHFFFAOYSA-N -1 3 317.371 0.184 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC001663748819 1174347927 /nfs/dbraw/zinc/34/79/27/1174347927.db2.gz BEKHZWNKZPMYJD-OCAPTIKFSA-N -1 3 304.299 0.844 20 5 DCBDHM COC(=O)C(F)(F)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001666544744 1174609377 /nfs/dbraw/zinc/60/93/77/1174609377.db2.gz WKPHQJFRSVBADU-UHFFFAOYSA-N -1 3 324.261 0.681 20 5 DCBDHM CCOCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105318335 748126349 /nfs/dbraw/zinc/12/63/49/748126349.db2.gz UEBZJFYKGBZGLQ-UHFFFAOYSA-N -1 3 312.326 0.627 20 5 DCBDHM CN(CCNC(=O)c1cnc[n-]c1=O)c1ncccc1[N+](=O)[O-] ZINC001100209629 763395620 /nfs/dbraw/zinc/39/56/20/763395620.db2.gz QDLGGKJNUDBEDC-UHFFFAOYSA-N -1 3 318.293 0.352 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cnon1 ZINC001101727520 764281680 /nfs/dbraw/zinc/28/16/80/764281680.db2.gz BIOZYUAMUSDHME-UHFFFAOYSA-N -1 3 308.254 0.263 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=COCCO1 ZINC001093462270 768570379 /nfs/dbraw/zinc/57/03/79/768570379.db2.gz QXTFHMOJAVLMJJ-UHFFFAOYSA-N -1 3 310.266 0.112 20 5 DCBDHM Cc1nccc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001093646606 768668624 /nfs/dbraw/zinc/66/86/24/768668624.db2.gz HPDGTFMWXSVREQ-UHFFFAOYSA-N -1 3 318.293 0.636 20 5 DCBDHM Cc1cc([N+](=O)[O-])cnc1-n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001155439205 770503576 /nfs/dbraw/zinc/50/35/76/770503576.db2.gz JEDWXHHFAMXNAS-UHFFFAOYSA-N -1 3 320.290 0.984 20 5 DCBDHM Cc1ncc([N+](=O)[O-])c(-n2c3[n-]c(=O)sc3c(=O)nc2N)n1 ZINC001155443454 770504965 /nfs/dbraw/zinc/50/49/65/770504965.db2.gz MPVFTCLUAMKZJT-UHFFFAOYSA-N -1 3 321.278 0.379 20 5 DCBDHM COc1nc(C)c([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156279971 770771975 /nfs/dbraw/zinc/77/19/75/770771975.db2.gz WTOOQHOPBRWRKI-QMMMGPOBSA-N -1 3 308.298 0.626 20 5 DCBDHM NCc1nc(=O)[n-]n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001157940959 771698771 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0.273 20 5 DCBDHM CCN(C)C(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309425190 960199568 /nfs/dbraw/zinc/19/95/68/960199568.db2.gz ZACWYPGSSPNJNA-UHFFFAOYSA-N -1 3 321.380 0.721 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccns2)nc1 ZINC001309771188 960206353 /nfs/dbraw/zinc/20/63/53/960206353.db2.gz CBWHDSPVDZRXSR-UHFFFAOYSA-N -1 3 300.321 0.925 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001464882307 1015961896 /nfs/dbraw/zinc/96/18/96/1015961896.db2.gz ILIKXTYETADFLX-SSDOTTSWSA-N -1 3 323.284 0.558 20 5 DCBDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccncc1[N+](=O)[O-] ZINC001465945926 1016035916 /nfs/dbraw/zinc/03/59/16/1016035916.db2.gz TUBSIURNFJRKOD-MRVPVSSYSA-N -1 3 306.282 0.045 20 5 DCBDHM O=C(NCCCN1CCC(O)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272718167 210122270 /nfs/dbraw/zinc/12/22/70/210122270.db2.gz ZHZWMVXAXWVPOY-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332653424 235247038 /nfs/dbraw/zinc/24/70/38/235247038.db2.gz UVLOUGYIAQKJQH-NSHDSACASA-N -1 3 318.289 0.279 20 5 DCBDHM O=C([N-]n1cn[nH]c1=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000272156479 209528128 /nfs/dbraw/zinc/52/81/28/209528128.db2.gz WSTPJJKFAFGGND-UHFFFAOYSA-N -1 3 304.266 0.438 20 5 DCBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281286669 216212948 /nfs/dbraw/zinc/21/29/48/216212948.db2.gz IGWCQMGFIRLPHO-VIFPVBQESA-N -1 3 304.324 0.271 20 5 DCBDHM COC(=O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275052274 212095920 /nfs/dbraw/zinc/09/59/20/212095920.db2.gz GXIZAHBJOAFEQR-UHFFFAOYSA-N -1 3 322.270 0.194 20 5 DCBDHM COc1cc(CN[C@H](C)C(=O)NCCF)c([N+](=O)[O-])cc1[O-] ZINC000282654876 217155856 /nfs/dbraw/zinc/15/58/56/217155856.db2.gz LKJQGGQWMNXGIJ-MRVPVSSYSA-N -1 3 315.301 0.873 20 5 DCBDHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000282916275 217322197 /nfs/dbraw/zinc/32/21/97/217322197.db2.gz GAGHZZZJUSUSPZ-ZETCQYMHSA-N -1 3 317.298 0.641 20 5 DCBDHM CCN(C)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339048223 253025609 /nfs/dbraw/zinc/02/56/09/253025609.db2.gz RDYDDDCMHRLTMV-UHFFFAOYSA-N -1 3 305.360 0.041 20 5 DCBDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000023391394 395692504 /nfs/dbraw/zinc/69/25/04/395692504.db2.gz JYHCYBNUJYCYDP-MRVPVSSYSA-N -1 3 304.324 0.917 20 5 DCBDHM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000045741511 395765424 /nfs/dbraw/zinc/76/54/24/395765424.db2.gz CLIQOQIOGNACTK-VIFPVBQESA-N -1 3 313.335 0.542 20 5 DCBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000271250573 395851150 /nfs/dbraw/zinc/85/11/50/395851150.db2.gz HHHKRFDZPKPVDO-UHFFFAOYSA-N -1 3 321.293 0.200 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000234878703 395891352 /nfs/dbraw/zinc/89/13/52/395891352.db2.gz JXKARVRHHIBNEI-SNVBAGLBSA-N -1 3 304.324 0.022 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCO ZINC000123592718 395896057 /nfs/dbraw/zinc/89/60/57/395896057.db2.gz CQMXYCSFIZPRKK-QMMMGPOBSA-N -1 3 304.324 0.653 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055296309 395916172 /nfs/dbraw/zinc/91/61/72/395916172.db2.gz HYXMHZMDKWOSBE-SSDOTTSWSA-N -1 3 317.323 0.016 20 5 DCBDHM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000183203526 396264619 /nfs/dbraw/zinc/26/46/19/396264619.db2.gz OZULSCCDEWBNPM-XJZHNMMOSA-N -1 3 324.355 0.779 20 5 DCBDHM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000183203509 396264791 /nfs/dbraw/zinc/26/47/91/396264791.db2.gz OZULSCCDEWBNPM-IIYDVTGLSA-N -1 3 324.355 0.779 20 5 DCBDHM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185988162 396338632 /nfs/dbraw/zinc/33/86/32/396338632.db2.gz WAJBSJOJIICKBY-UHFFFAOYSA-N -1 3 301.324 0.351 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C(N)=O)c1[N+](=O)[O-] ZINC000189814781 396400342 /nfs/dbraw/zinc/40/03/42/396400342.db2.gz UWDFJBGIASVCLN-QMMMGPOBSA-N -1 3 301.324 0.364 20 5 DCBDHM COC(=O)N1CC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000269314441 396406849 /nfs/dbraw/zinc/40/68/49/396406849.db2.gz WTDBDTYMMJZMEI-UHFFFAOYSA-N -1 3 315.307 0.324 20 5 DCBDHM COC(=O)c1cn(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])nn1 ZINC000596226805 396738450 /nfs/dbraw/zinc/73/84/50/396738450.db2.gz QUTSWCZBHAERGY-UHFFFAOYSA-N -1 3 308.254 0.186 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599936725 397544184 /nfs/dbraw/zinc/54/41/84/397544184.db2.gz BNNLGJUUQSGJGQ-NEPJUHHUSA-N -1 3 321.333 0.582 20 5 DCBDHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992865 397800388 /nfs/dbraw/zinc/80/03/88/397800388.db2.gz ZISUJLGPOPAREU-SECBINFHSA-N -1 3 318.289 0.472 20 5 DCBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000610231219 397806259 /nfs/dbraw/zinc/80/62/59/397806259.db2.gz DLUZQOKFPKJEDD-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000610231219 397806262 /nfs/dbraw/zinc/80/62/62/397806262.db2.gz DLUZQOKFPKJEDD-UHFFFAOYSA-N -1 3 322.281 0.638 20 5 DCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071270313 158049671 /nfs/dbraw/zinc/04/96/71/158049671.db2.gz YKZOTZCOCCRAOA-MRVPVSSYSA-N -1 3 324.742 0.534 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CO)CCC2)c(F)c1 ZINC000169024040 158371942 /nfs/dbraw/zinc/37/19/42/158371942.db2.gz VLTGDQIWUMNWKE-UHFFFAOYSA-N -1 3 304.299 0.927 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000324249886 159013717 /nfs/dbraw/zinc/01/37/17/159013717.db2.gz HRRDDZLLICFHOB-MNOVXSKESA-N -1 3 321.333 0.893 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(O)CCOCC1 ZINC000077193523 286920322 /nfs/dbraw/zinc/92/03/22/286920322.db2.gz RXQBCLATQAQERA-UHFFFAOYSA-N -1 3 316.335 0.415 20 5 DCBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(N)=O ZINC000352508768 415198664 /nfs/dbraw/zinc/19/86/64/415198664.db2.gz FBHRPQDPEUVWHT-SSDOTTSWSA-N -1 3 321.380 0.897 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000343469183 415611071 /nfs/dbraw/zinc/61/10/71/415611071.db2.gz POBUAFVINHULCA-QMMMGPOBSA-N -1 3 305.381 0.947 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000343490743 415616380 /nfs/dbraw/zinc/61/63/80/415616380.db2.gz AVQQBXQFMNAFNW-SSDOTTSWSA-N -1 3 319.364 0.522 20 5 DCBDHM O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133848131 415952099 /nfs/dbraw/zinc/95/20/99/415952099.db2.gz KNBMKBQTWPOPKO-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1C[C@@H](O)CN1 ZINC000423738752 416553743 /nfs/dbraw/zinc/55/37/43/416553743.db2.gz GTYMXOJHTNMUQR-HTRCEHHLSA-N -1 3 301.686 0.615 20 5 DCBDHM CNC(=O)Cn1nc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000596180586 416578010 /nfs/dbraw/zinc/57/80/10/416578010.db2.gz RJKAFWRTYSDKBX-UHFFFAOYSA-N -1 3 306.282 0.690 20 5 DCBDHM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416623040 262235156 /nfs/dbraw/zinc/23/51/56/262235156.db2.gz NLYZYOPLHRRPRL-SECBINFHSA-N -1 3 315.351 0.786 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000435627136 271569296 /nfs/dbraw/zinc/56/92/96/271569296.db2.gz QKOMVBUJIFBWJP-MRVPVSSYSA-N -1 3 310.278 0.808 20 5 DCBDHM O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000552028329 288261131 /nfs/dbraw/zinc/26/11/31/288261131.db2.gz WIDMXXCRAZSVMW-OAHLLOKOSA-N -1 3 321.333 0.487 20 5 DCBDHM CN(C)c1n[nH]c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000553188080 288289933 /nfs/dbraw/zinc/28/99/33/288289933.db2.gz BCHNAHZSSLBRLW-UHFFFAOYSA-N -1 3 320.265 0.760 20 5 DCBDHM CCc1nn(C)c(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1[N+](=O)[O-] ZINC000288422563 281548518 /nfs/dbraw/zinc/54/85/18/281548518.db2.gz MMZINNYEFASUBU-CYBMUJFWSA-N -1 3 322.325 0.069 20 5 DCBDHM C[C@@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)NC(=O)[N-]C1=O ZINC000343357672 289177388 /nfs/dbraw/zinc/17/73/88/289177388.db2.gz GTBCLPOIMOGFHJ-XPTSAGLGSA-N -1 3 319.321 0.947 20 5 DCBDHM Cc1ccnc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1[N+](=O)[O-] ZINC000279116437 292772583 /nfs/dbraw/zinc/77/25/83/292772583.db2.gz PQYVQFKYQFZQJW-CYBMUJFWSA-N -1 3 305.294 0.477 20 5 DCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000234879938 292813901 /nfs/dbraw/zinc/81/39/01/292813901.db2.gz JSYKBJNCKRBAKX-SECBINFHSA-N -1 3 304.324 0.189 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000331844163 534721025 /nfs/dbraw/zinc/72/10/25/534721025.db2.gz MTKATMIFVLTZDN-ZCFIWIBFSA-N -1 3 310.291 0.033 20 5 DCBDHM CN1CC[C@@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O ZINC000132004491 523969759 /nfs/dbraw/zinc/96/97/59/523969759.db2.gz SBOCNEYKOYAGEF-ZCFIWIBFSA-N -1 3 319.364 0.702 20 5 DCBDHM C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736076762 598498692 /nfs/dbraw/zinc/49/86/92/598498692.db2.gz CTKGVSCJWSZMQO-MRVPVSSYSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736076762 598498694 /nfs/dbraw/zinc/49/86/94/598498694.db2.gz CTKGVSCJWSZMQO-MRVPVSSYSA-N -1 3 315.297 0.867 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCC3(C2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000738368982 598538681 /nfs/dbraw/zinc/53/86/81/598538681.db2.gz HFHDIDOXUSWTDH-UHFFFAOYSA-N -1 3 318.293 0.728 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCC3(C2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000738368982 598538682 /nfs/dbraw/zinc/53/86/82/598538682.db2.gz HFHDIDOXUSWTDH-UHFFFAOYSA-N -1 3 318.293 0.728 20 5 DCBDHM CC(C)(C)[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735596618 598775443 /nfs/dbraw/zinc/77/54/43/598775443.db2.gz KVVSMXKYTDPVRC-SECBINFHSA-N -1 3 307.314 0.989 20 5 DCBDHM CC(C)(C)[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735596618 598775444 /nfs/dbraw/zinc/77/54/44/598775444.db2.gz KVVSMXKYTDPVRC-SECBINFHSA-N -1 3 307.314 0.989 20 5 DCBDHM O=C([O-])NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834221734 605647919 /nfs/dbraw/zinc/64/79/19/605647919.db2.gz TZXLICWOTKMBGX-NSHDSACASA-N -1 3 324.337 0.736 20 5 DCBDHM CN(C[C@@H]1CCOC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821597773 606474331 /nfs/dbraw/zinc/47/43/31/606474331.db2.gz GVHMPPYHJKNUAA-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM CN(C[C@@H]1CCOC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821597773 606474333 /nfs/dbraw/zinc/47/43/33/606474333.db2.gz GVHMPPYHJKNUAA-QMMMGPOBSA-N -1 3 305.298 0.643 20 5 DCBDHM CC[C@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820965985 606480407 /nfs/dbraw/zinc/48/04/07/606480407.db2.gz BEKSNWUFXOGCLY-VIFPVBQESA-N -1 3 317.309 0.490 20 5 DCBDHM CC[C@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820965985 606480408 /nfs/dbraw/zinc/48/04/08/606480408.db2.gz BEKSNWUFXOGCLY-VIFPVBQESA-N -1 3 317.309 0.490 20 5 DCBDHM COCCOC1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821691755 606643506 /nfs/dbraw/zinc/64/35/06/606643506.db2.gz CKWCVFSQOWOPHF-UHFFFAOYSA-N -1 3 321.297 0.022 20 5 DCBDHM COCCOC1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821691755 606643507 /nfs/dbraw/zinc/64/35/07/606643507.db2.gz CKWCVFSQOWOPHF-UHFFFAOYSA-N -1 3 321.297 0.022 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCOC3(CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826501034 608235581 /nfs/dbraw/zinc/23/55/81/608235581.db2.gz WTGZAWIMTVGISF-UHFFFAOYSA-N -1 3 317.309 0.929 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCOC3(CCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826501034 608235583 /nfs/dbraw/zinc/23/55/83/608235583.db2.gz WTGZAWIMTVGISF-UHFFFAOYSA-N -1 3 317.309 0.929 20 5 DCBDHM C[C@@H](Cn1ccnc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824463645 608365381 /nfs/dbraw/zinc/36/53/81/608365381.db2.gz ABBYEMGFQWDFEA-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM Cn1cnc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000826364584 608553493 /nfs/dbraw/zinc/55/34/93/608553493.db2.gz BPEPEOPLTWCYCB-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cnc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000826364584 608553494 /nfs/dbraw/zinc/55/34/94/608553494.db2.gz BPEPEOPLTWCYCB-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824450461 609597938 /nfs/dbraw/zinc/59/79/38/609597938.db2.gz WEYMEOZGQPQALT-WERWIIQRSA-N -1 3 311.327 0.349 20 5 DCBDHM C[C@@H](C[S@](C)=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824450461 609597939 /nfs/dbraw/zinc/59/79/39/609597939.db2.gz WEYMEOZGQPQALT-WERWIIQRSA-N -1 3 311.327 0.349 20 5 DCBDHM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000728292714 662374724 /nfs/dbraw/zinc/37/47/24/662374724.db2.gz TUTYNQLZIKOBEU-QMMMGPOBSA-N -1 3 304.255 0.328 20 5 DCBDHM C[C@@](O)(CO)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590403 670699343 /nfs/dbraw/zinc/69/93/43/670699343.db2.gz OGBHYWRVLGUVGJ-NSHDSACASA-N -1 3 320.248 0.426 20 5 DCBDHM CCN(CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000849388019 670786023 /nfs/dbraw/zinc/78/60/23/670786023.db2.gz PEPDIBZTTJSVKH-UHFFFAOYSA-N -1 3 316.383 0.998 20 5 DCBDHM CN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001579020841 1165189602 /nfs/dbraw/zinc/18/96/02/1165189602.db2.gz GKMWQPHQDMMFRV-UHFFFAOYSA-N -1 3 307.314 0.564 20 5 DCBDHM CN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001579020841 1165189605 /nfs/dbraw/zinc/18/96/05/1165189605.db2.gz GKMWQPHQDMMFRV-UHFFFAOYSA-N -1 3 307.314 0.564 20 5 DCBDHM CON(C)C1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001579847643 1165410367 /nfs/dbraw/zinc/41/03/67/1165410367.db2.gz JFNMZUFEEQMPPA-UHFFFAOYSA-N -1 3 319.325 0.765 20 5 DCBDHM CON(C)C1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001579847643 1165410372 /nfs/dbraw/zinc/41/03/72/1165410372.db2.gz JFNMZUFEEQMPPA-UHFFFAOYSA-N -1 3 319.325 0.765 20 5 DCBDHM CC(C)c1nnnn1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589778286 1166686919 /nfs/dbraw/zinc/68/69/19/1166686919.db2.gz FFOAWIBCWZMGBS-UHFFFAOYSA-N -1 3 315.297 0.933 20 5 DCBDHM CC(C)c1nnnn1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589778286 1166686922 /nfs/dbraw/zinc/68/69/22/1166686922.db2.gz FFOAWIBCWZMGBS-UHFFFAOYSA-N -1 3 315.297 0.933 20 5 DCBDHM C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001589888579 1166710806 /nfs/dbraw/zinc/71/08/06/1166710806.db2.gz BELRIRNHFIEESD-BDAKNGLRSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001589888579 1166710810 /nfs/dbraw/zinc/71/08/10/1166710810.db2.gz BELRIRNHFIEESD-BDAKNGLRSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314398 1166860659 /nfs/dbraw/zinc/86/06/59/1166860659.db2.gz SZKBNINAWAFAEJ-KWQFWETISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314398 1166860663 /nfs/dbraw/zinc/86/06/63/1166860663.db2.gz SZKBNINAWAFAEJ-KWQFWETISA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590438318 1166906415 /nfs/dbraw/zinc/90/64/15/1166906415.db2.gz ACANMIFZPWMOSE-ZETCQYMHSA-N -1 3 307.314 0.930 20 5 DCBDHM CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590438318 1166906418 /nfs/dbraw/zinc/90/64/18/1166906418.db2.gz ACANMIFZPWMOSE-ZETCQYMHSA-N -1 3 307.314 0.930 20 5 DCBDHM CN(C)C(=O)CN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591000555 1167070756 /nfs/dbraw/zinc/07/07/56/1167070756.db2.gz LJFDUJHZXALBOW-UHFFFAOYSA-N -1 3 323.288 0.438 20 5 DCBDHM CN(C)C(=O)CN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591000555 1167070761 /nfs/dbraw/zinc/07/07/61/1167070761.db2.gz LJFDUJHZXALBOW-UHFFFAOYSA-N -1 3 323.288 0.438 20 5 DCBDHM CN1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001591171112 1167126666 /nfs/dbraw/zinc/12/66/66/1167126666.db2.gz KAQBBBIVVREIGG-SSDOTTSWSA-N -1 3 303.282 0.418 20 5 DCBDHM CN1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001591171112 1167126668 /nfs/dbraw/zinc/12/66/68/1167126668.db2.gz KAQBBBIVVREIGG-SSDOTTSWSA-N -1 3 303.282 0.418 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591253519 1167179884 /nfs/dbraw/zinc/17/98/84/1167179884.db2.gz RJWIKXXEZXMMGK-SSDOTTSWSA-N -1 3 319.281 0.169 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591253519 1167179889 /nfs/dbraw/zinc/17/98/89/1167179889.db2.gz RJWIKXXEZXMMGK-SSDOTTSWSA-N -1 3 319.281 0.169 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591276736 1167196111 /nfs/dbraw/zinc/19/61/11/1167196111.db2.gz MXTGCKKASQGASQ-QMMMGPOBSA-N -1 3 310.245 0.698 20 5 DCBDHM COC(=O)[C@@H](F)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591276736 1167196116 /nfs/dbraw/zinc/19/61/16/1167196116.db2.gz MXTGCKKASQGASQ-QMMMGPOBSA-N -1 3 310.245 0.698 20 5 DCBDHM Cc1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1N ZINC001592450014 1167527935 /nfs/dbraw/zinc/52/79/35/1167527935.db2.gz AOIRYZBTUMNZSB-UHFFFAOYSA-N -1 3 319.310 0.540 20 5 DCBDHM Cc1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1N ZINC001592450014 1167527938 /nfs/dbraw/zinc/52/79/38/1167527938.db2.gz AOIRYZBTUMNZSB-UHFFFAOYSA-N -1 3 319.310 0.540 20 5 DCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Cn1cnc([N+](=O)[O-])c1 ZINC001592910419 1167662326 /nfs/dbraw/zinc/66/23/26/1167662326.db2.gz IRLMBMVKRGHHDB-UHFFFAOYSA-N -1 3 313.277 0.783 20 5 DCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cnc([N+](=O)[O-])c1 ZINC001592910419 1167662330 /nfs/dbraw/zinc/66/23/30/1167662330.db2.gz IRLMBMVKRGHHDB-UHFFFAOYSA-N -1 3 313.277 0.783 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C2(CC2)C1 ZINC001593468592 1167857568 /nfs/dbraw/zinc/85/75/68/1167857568.db2.gz PKWKJTNPGZZXMO-NSHDSACASA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C2(CC2)C1 ZINC001593468592 1167857579 /nfs/dbraw/zinc/85/75/79/1167857579.db2.gz PKWKJTNPGZZXMO-NSHDSACASA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)c1ncc[nH]1 ZINC001593468924 1167858644 /nfs/dbraw/zinc/85/86/44/1167858644.db2.gz WQEXLNGJAIAZRU-SECBINFHSA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)c1ncc[nH]1 ZINC001593468924 1167858652 /nfs/dbraw/zinc/85/86/52/1167858652.db2.gz WQEXLNGJAIAZRU-SECBINFHSA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593478233 1167862976 /nfs/dbraw/zinc/86/29/76/1167862976.db2.gz FSBDLSMUBPKERV-PELKAZGASA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593478233 1167862983 /nfs/dbraw/zinc/86/29/83/1167862983.db2.gz FSBDLSMUBPKERV-PELKAZGASA-N -1 3 320.309 0.584 20 5 DCBDHM O=C([O-])[C@H]1C[C@@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001601769951 1168870319 /nfs/dbraw/zinc/87/03/19/1168870319.db2.gz UBBNDGQEAPYXCP-CMPLNLGQSA-N -1 3 310.306 0.741 20 5 DCBDHM CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001602944173 1169217046 /nfs/dbraw/zinc/21/70/46/1169217046.db2.gz ZUDXJOZTTGLLGK-UHFFFAOYSA-N -1 3 317.309 0.856 20 5 DCBDHM CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001602944173 1169217051 /nfs/dbraw/zinc/21/70/51/1169217051.db2.gz ZUDXJOZTTGLLGK-UHFFFAOYSA-N -1 3 317.309 0.856 20 5 DCBDHM CN(Cc1c[nH]cn1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604794353 1169686730 /nfs/dbraw/zinc/68/67/30/1169686730.db2.gz AYXPEVCXUVKEJG-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM COC(=O)CCSc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604938106 1169756210 /nfs/dbraw/zinc/75/62/10/1169756210.db2.gz FOTDSZYTTLPBML-UHFFFAOYSA-N -1 3 310.295 0.825 20 5 DCBDHM COC(=O)CCSc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604938106 1169756213 /nfs/dbraw/zinc/75/62/13/1169756213.db2.gz FOTDSZYTTLPBML-UHFFFAOYSA-N -1 3 310.295 0.825 20 5 DCBDHM COC[C@@H](O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605059417 1169799329 /nfs/dbraw/zinc/79/93/29/1169799329.db2.gz NNOJVKLVOLSSRZ-QMMMGPOBSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@H](O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605059417 1169799336 /nfs/dbraw/zinc/79/93/36/1169799336.db2.gz NNOJVKLVOLSSRZ-QMMMGPOBSA-N -1 3 308.298 0.584 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001606277434 1170145954 /nfs/dbraw/zinc/14/59/54/1170145954.db2.gz VGWKENWNGZVPPB-UHFFFAOYSA-N -1 3 317.269 0.099 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001606277434 1170145958 /nfs/dbraw/zinc/14/59/58/1170145958.db2.gz VGWKENWNGZVPPB-UHFFFAOYSA-N -1 3 317.269 0.099 20 5 DCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001606446190 1170205885 /nfs/dbraw/zinc/20/58/85/1170205885.db2.gz GTERLUBCMNJKKM-UHFFFAOYSA-N -1 3 314.265 0.437 20 5 DCBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCCC[N+](=O)[O-] ZINC001606578527 1170237348 /nfs/dbraw/zinc/23/73/48/1170237348.db2.gz KQRGBVFVDVKGEA-UHFFFAOYSA-N -1 3 307.266 0.456 20 5 DCBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCCC[N+](=O)[O-] ZINC001606578527 1170237351 /nfs/dbraw/zinc/23/73/51/1170237351.db2.gz KQRGBVFVDVKGEA-UHFFFAOYSA-N -1 3 307.266 0.456 20 5 DCBDHM O=C(NCc1cncc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])o1 ZINC001606843517 1170311704 /nfs/dbraw/zinc/31/17/04/1170311704.db2.gz VWWAITNQZFCKQM-UHFFFAOYSA-N -1 3 315.249 0.693 20 5 DCBDHM O=C(NCc1cncc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])o1 ZINC001606843517 1170311710 /nfs/dbraw/zinc/31/17/10/1170311710.db2.gz VWWAITNQZFCKQM-UHFFFAOYSA-N -1 3 315.249 0.693 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCn2ncnc2C1 ZINC001607080183 1170381570 /nfs/dbraw/zinc/38/15/70/1170381570.db2.gz SVAOKAFZQMSIHM-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCn2ncnc2C1 ZINC001607080183 1170381574 /nfs/dbraw/zinc/38/15/74/1170381574.db2.gz SVAOKAFZQMSIHM-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@](O)(C2CC2)C1 ZINC001607080965 1170384741 /nfs/dbraw/zinc/38/47/41/1170384741.db2.gz WFRNULAFIULFIF-ZDUSSCGKSA-N -1 3 317.309 0.521 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@](O)(C2CC2)C1 ZINC001607080965 1170384749 /nfs/dbraw/zinc/38/47/49/1170384749.db2.gz WFRNULAFIULFIF-ZDUSSCGKSA-N -1 3 317.309 0.521 20 5 DCBDHM CC(C)[C@H](CO)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609088442 1170804588 /nfs/dbraw/zinc/80/45/88/1170804588.db2.gz QMQCXRCAROCVHE-VIFPVBQESA-N -1 3 307.314 0.846 20 5 DCBDHM CC(C)[C@H](CO)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609088442 1170804597 /nfs/dbraw/zinc/80/45/97/1170804597.db2.gz QMQCXRCAROCVHE-VIFPVBQESA-N -1 3 307.314 0.846 20 5 DCBDHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[C@H](C)O ZINC001609128708 1170820642 /nfs/dbraw/zinc/82/06/42/1170820642.db2.gz RYSBZMKRZCXOOF-SFYZADRCSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[C@H](C)O ZINC001609128708 1170820649 /nfs/dbraw/zinc/82/06/49/1170820649.db2.gz RYSBZMKRZCXOOF-SFYZADRCSA-N -1 3 307.314 0.989 20 5 DCBDHM CCCCN(CC(N)=O)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609210085 1170870235 /nfs/dbraw/zinc/87/02/35/1170870235.db2.gz YSCSQFVBNJONRO-UHFFFAOYSA-N -1 3 319.325 0.867 20 5 DCBDHM CCOC(=O)CN(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609233390 1170892124 /nfs/dbraw/zinc/89/21/24/1170892124.db2.gz WRRRPHOAGAMQGY-UHFFFAOYSA-N -1 3 320.309 0.770 20 5 DCBDHM CCOC(=O)CN(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609233390 1170892136 /nfs/dbraw/zinc/89/21/36/1170892136.db2.gz WRRRPHOAGAMQGY-UHFFFAOYSA-N -1 3 320.309 0.770 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(CO)CC1 ZINC001609599985 1171040693 /nfs/dbraw/zinc/04/06/93/1171040693.db2.gz KXEOPWBNSVIBRE-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(CO)CC1 ZINC001609599985 1171040701 /nfs/dbraw/zinc/04/07/01/1171040701.db2.gz KXEOPWBNSVIBRE-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC001645974955 1172202383 /nfs/dbraw/zinc/20/23/83/1172202383.db2.gz WZGORSBVUDUSMP-SSDOTTSWSA-N -1 3 321.293 0.564 20 5 DCBDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001655848097 1173829005 /nfs/dbraw/zinc/82/90/05/1173829005.db2.gz OABREDMEKRRFTO-SECBINFHSA-N -1 3 319.325 0.823 20 5 DCBDHM O=C1NCCN1CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001655901966 1173830230 /nfs/dbraw/zinc/83/02/30/1173830230.db2.gz IRTXVZZELWXQMB-UHFFFAOYSA-N -1 3 321.337 0.937 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]CCC(=O)N(C)C)c([N+](=O)[O-])s1 ZINC001666472509 1174604135 /nfs/dbraw/zinc/60/41/35/1174604135.db2.gz VRQOPFUJQCFULD-UHFFFAOYSA-N -1 3 321.380 0.721 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001666562613 1174610739 /nfs/dbraw/zinc/61/07/39/1174610739.db2.gz UAZUSTGTQGRIMA-UHFFFAOYSA-N -1 3 319.314 0.457 20 5 DCBDHM O=C(C1CC1)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111422876 751756319 /nfs/dbraw/zinc/75/63/19/751756319.db2.gz AVVOTRJHFSHUMS-UHFFFAOYSA-N -1 3 310.310 0.338 20 5 DCBDHM CN(CCNC(=O)c1ccnn1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099954538 758780210 /nfs/dbraw/zinc/78/02/10/758780210.db2.gz LFJLPGOCVWPWJV-UHFFFAOYSA-N -1 3 320.309 0.295 20 5 DCBDHM CN(CCNC(=O)c1csnn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100248542 763424446 /nfs/dbraw/zinc/42/44/46/763424446.db2.gz ZYHZTLJHZSIJEB-UHFFFAOYSA-N -1 3 324.322 0.413 20 5 DCBDHM COCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111740207 765375689 /nfs/dbraw/zinc/37/56/89/765375689.db2.gz JXCVLKHLZHTXSY-UHFFFAOYSA-N -1 3 310.310 0.793 20 5 DCBDHM O=c1[n-]ccc(NCC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC001118592294 766367540 /nfs/dbraw/zinc/36/75/40/766367540.db2.gz UKJZLRFCVHUNCU-UHFFFAOYSA-N -1 3 301.324 0.932 20 5 DCBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cncs1 ZINC001093495246 768577028 /nfs/dbraw/zinc/57/70/28/768577028.db2.gz XRNMLIBKIQALHM-UHFFFAOYSA-N -1 3 309.307 0.994 20 5 DCBDHM CCn1nncc1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093596654 768654034 /nfs/dbraw/zinc/65/40/34/768654034.db2.gz RRRZDBLYVXIKOX-UHFFFAOYSA-N -1 3 321.297 0.149 20 5 DCBDHM O=C(Cc1ccc[nH]1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093655548 768673090 /nfs/dbraw/zinc/67/30/90/768673090.db2.gz FFAOWZBWTXIQMS-UHFFFAOYSA-N -1 3 305.294 0.794 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001154609010 770240748 /nfs/dbraw/zinc/24/07/48/770240748.db2.gz XGDAXULQPWRMJO-UHFFFAOYSA-N -1 3 304.266 0.022 20 5 DCBDHM COc1nc(NCCCc2c[n-][nH]c2=O)nc(OC)c1[N+](=O)[O-] ZINC001156278305 770770359 /nfs/dbraw/zinc/77/03/59/770770359.db2.gz GYGANCUARZFIAP-ZETCQYMHSA-N -1 3 324.297 0.326 20 5 DCBDHM CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1cnc(C)[n-]c1=O ZINC001162300232 772355415 /nfs/dbraw/zinc/35/54/15/772355415.db2.gz HGWCADFGGIAYSQ-SNVBAGLBSA-N -1 3 319.277 0.976 20 5 DCBDHM CN(CCCNC(=O)c1cn[nH]c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095485295 775162202 /nfs/dbraw/zinc/16/22/02/775162202.db2.gz MXDFNSRMCNJNFK-UHFFFAOYSA-N -1 3 320.309 0.675 20 5 DCBDHM COc1cnc(=O)[n-]c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001226827209 775880514 /nfs/dbraw/zinc/88/05/14/775880514.db2.gz BPMOSXPMKDVBPI-LURJTMIESA-N -1 3 309.238 0.136 20 5 DCBDHM O=C(CC1=CCOCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094101715 947787602 /nfs/dbraw/zinc/78/76/02/947787602.db2.gz KSCJBEFNYPGQAV-UHFFFAOYSA-N -1 3 322.321 0.960 20 5 DCBDHM C[C@@H](CC(N)=O)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592451538 978136512 /nfs/dbraw/zinc/13/65/12/978136512.db2.gz FLJATRPUUVDLNB-QMMMGPOBSA-N -1 3 311.294 0.412 20 5 DCBDHM CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001598607457 993693223 /nfs/dbraw/zinc/69/32/23/993693223.db2.gz PFNBMCACMCYSRP-GFCCVEGCSA-N -1 3 321.333 0.612 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001661075368 1174093740 /nfs/dbraw/zinc/09/37/40/1174093740.db2.gz OTAOUJZNCJNAAS-UHFFFAOYSA-N -1 3 307.353 0.379 20 5 DCBDHM CC1=C([O-])N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282906401 217315930 /nfs/dbraw/zinc/31/59/30/217315930.db2.gz FIGHAVHTVPLVGK-SSDOTTSWSA-N -1 3 317.298 0.641 20 5 DCBDHM COC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000042266008 183248382 /nfs/dbraw/zinc/24/83/82/183248382.db2.gz PJJBJYXVXPJZGG-UHFFFAOYSA-N -1 3 306.271 0.575 20 5 DCBDHM CCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032551899 395711509 /nfs/dbraw/zinc/71/15/09/395711509.db2.gz OAUBMMRYSLCXNB-UHFFFAOYSA-N -1 3 301.324 0.399 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(F)c1 ZINC000229631937 527375851 /nfs/dbraw/zinc/37/58/51/527375851.db2.gz RFBXSHGRPZRHGJ-NSHDSACASA-N -1 3 320.298 0.164 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCc3n[nH]cc3C2)c(-c2nnn[n-]2)c1 ZINC000738369314 598499592 /nfs/dbraw/zinc/49/95/92/598499592.db2.gz KUIDWMNJBDFNBN-UHFFFAOYSA-N -1 3 313.281 0.456 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCc3n[nH]cc3C2)c(-c2nn[n-]n2)c1 ZINC000738369314 598499594 /nfs/dbraw/zinc/49/95/94/598499594.db2.gz KUIDWMNJBDFNBN-UHFFFAOYSA-N -1 3 313.281 0.456 20 5 DCBDHM CCOC(=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821326149 599356332 /nfs/dbraw/zinc/35/63/32/599356332.db2.gz TYFFHAPJQNQJRO-UHFFFAOYSA-N -1 3 321.297 0.925 20 5 DCBDHM CCOC(=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821326149 599356334 /nfs/dbraw/zinc/35/63/34/599356334.db2.gz TYFFHAPJQNQJRO-UHFFFAOYSA-N -1 3 321.297 0.925 20 5 DCBDHM COC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826152124 608230787 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CNC(=O)[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821629942 671286300 /nfs/dbraw/zinc/28/63/00/671286300.db2.gz HATFBHOHPPYIJJ-QMMMGPOBSA-N -1 3 319.325 0.593 20 5 DCBDHM O=C(OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000845943793 672284208 /nfs/dbraw/zinc/28/42/08/672284208.db2.gz BTLWRDINLURZAX-UHFFFAOYSA-N -1 3 315.307 0.221 20 5 DCBDHM Cc1nccn1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001581567705 1165844503 /nfs/dbraw/zinc/84/45/03/1165844503.db2.gz WJFFFFWBIFSFSB-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1nccn1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001581567705 1165844515 /nfs/dbraw/zinc/84/45/15/1165844515.db2.gz WJFFFFWBIFSFSB-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590149770 1166790463 /nfs/dbraw/zinc/79/04/63/1166790463.db2.gz BCIWPIICJXDUAC-GFCCVEGCSA-N -1 3 305.298 0.318 20 5 DCBDHM C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590149770 1166790467 /nfs/dbraw/zinc/79/04/67/1166790467.db2.gz BCIWPIICJXDUAC-GFCCVEGCSA-N -1 3 305.298 0.318 20 5 DCBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001590311028 1166857683 /nfs/dbraw/zinc/85/76/83/1166857683.db2.gz DBZJLJAYCVLPDR-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001590311028 1166857685 /nfs/dbraw/zinc/85/76/85/1166857685.db2.gz DBZJLJAYCVLPDR-WPRPVWTQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314408 1166859620 /nfs/dbraw/zinc/85/96/20/1166859620.db2.gz QSZFFXDSCXTJLA-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314408 1166859625 /nfs/dbraw/zinc/85/96/25/1166859625.db2.gz QSZFFXDSCXTJLA-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)NC ZINC001590474176 1166919129 /nfs/dbraw/zinc/91/91/29/1166919129.db2.gz ZNZVYESFHXMSTA-MRVPVSSYSA-N -1 3 305.298 0.711 20 5 DCBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)NC ZINC001590474176 1166919134 /nfs/dbraw/zinc/91/91/34/1166919134.db2.gz ZNZVYESFHXMSTA-MRVPVSSYSA-N -1 3 305.298 0.711 20 5 DCBDHM CN(CCOCCO)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591115617 1167106382 /nfs/dbraw/zinc/10/63/82/1167106382.db2.gz SJIXYIVUWGTZLQ-UHFFFAOYSA-N -1 3 322.325 0.216 20 5 DCBDHM CN(CCOCCO)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591115617 1167106384 /nfs/dbraw/zinc/10/63/84/1167106384.db2.gz SJIXYIVUWGTZLQ-UHFFFAOYSA-N -1 3 322.325 0.216 20 5 DCBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC001591125673 1167109552 /nfs/dbraw/zinc/10/95/52/1167109552.db2.gz JLNGWDLZQHUBAA-LLVKDONJSA-N -1 3 317.309 0.095 20 5 DCBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC001591125673 1167109554 /nfs/dbraw/zinc/10/95/54/1167109554.db2.gz JLNGWDLZQHUBAA-LLVKDONJSA-N -1 3 317.309 0.095 20 5 DCBDHM COC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591229705 1167169209 /nfs/dbraw/zinc/16/92/09/1167169209.db2.gz UOHNIXXTXUWWSF-LBPRGKRZSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591229705 1167169213 /nfs/dbraw/zinc/16/92/13/1167169213.db2.gz UOHNIXXTXUWWSF-LBPRGKRZSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591253600 1167179353 /nfs/dbraw/zinc/17/93/53/1167179353.db2.gz SCNRXRSHHYTCJN-QMMMGPOBSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591253600 1167179355 /nfs/dbraw/zinc/17/93/55/1167179355.db2.gz SCNRXRSHHYTCJN-QMMMGPOBSA-N -1 3 318.293 0.774 20 5 DCBDHM CO[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001591361550 1167235575 /nfs/dbraw/zinc/23/55/75/1167235575.db2.gz NGPFCBQSAIOKEW-GFCCVEGCSA-N -1 3 320.309 0.580 20 5 DCBDHM CO[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591361550 1167235578 /nfs/dbraw/zinc/23/55/78/1167235578.db2.gz NGPFCBQSAIOKEW-GFCCVEGCSA-N -1 3 320.309 0.580 20 5 DCBDHM COCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591397505 1167267275 /nfs/dbraw/zinc/26/72/75/1167267275.db2.gz VPHFEZSDHFPAQI-UHFFFAOYSA-N -1 3 307.266 0.855 20 5 DCBDHM COCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591397505 1167267282 /nfs/dbraw/zinc/26/72/82/1167267282.db2.gz VPHFEZSDHFPAQI-UHFFFAOYSA-N -1 3 307.266 0.855 20 5 DCBDHM COCC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591399752 1167269609 /nfs/dbraw/zinc/26/96/09/1167269609.db2.gz XACQXPNTHHTCID-VIFPVBQESA-N -1 3 308.298 0.584 20 5 DCBDHM COCC[C@H](COC)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591399316 1167270160 /nfs/dbraw/zinc/27/01/60/1167270160.db2.gz RYMNZIPPPMCQPJ-SECBINFHSA-N -1 3 323.313 0.633 20 5 DCBDHM COCC[C@H](COC)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591399316 1167270169 /nfs/dbraw/zinc/27/01/69/1167270169.db2.gz RYMNZIPPPMCQPJ-SECBINFHSA-N -1 3 323.313 0.633 20 5 DCBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1ncc([N+](=O)[O-])c1N ZINC001591487339 1167310813 /nfs/dbraw/zinc/31/08/13/1167310813.db2.gz AYDDGWPRMUBJQM-UHFFFAOYSA-N -1 3 316.281 0.611 20 5 DCBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1ncc([N+](=O)[O-])c1N ZINC001591487339 1167310817 /nfs/dbraw/zinc/31/08/17/1167310817.db2.gz AYDDGWPRMUBJQM-UHFFFAOYSA-N -1 3 316.281 0.611 20 5 DCBDHM Cc1cc(C(=O)OCC(C)(C)[N+](=O)[O-])ncc1-c1nnn[n-]1 ZINC001591937303 1167422259 /nfs/dbraw/zinc/42/22/59/1167422259.db2.gz RKGNTZNYLOVTBM-UHFFFAOYSA-N -1 3 306.282 0.782 20 5 DCBDHM Cc1cc(C(=O)OCC(C)(C)[N+](=O)[O-])ncc1-c1nn[n-]n1 ZINC001591937303 1167422262 /nfs/dbraw/zinc/42/22/62/1167422262.db2.gz RKGNTZNYLOVTBM-UHFFFAOYSA-N -1 3 306.282 0.782 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592721527 1167613068 /nfs/dbraw/zinc/61/30/68/1167613068.db2.gz WMSAAXPTEDCAEC-ZCFIWIBFSA-N -1 3 321.272 0.226 20 5 DCBDHM NC(=O)[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592721527 1167613071 /nfs/dbraw/zinc/61/30/71/1167613071.db2.gz WMSAAXPTEDCAEC-ZCFIWIBFSA-N -1 3 321.272 0.226 20 5 DCBDHM Nc1n[nH]c(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592765090 1167639741 /nfs/dbraw/zinc/63/97/41/1167639741.db2.gz XTPLYBOIIYTAQN-UHFFFAOYSA-N -1 3 319.310 0.768 20 5 DCBDHM Nc1n[nH]c(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592765090 1167639746 /nfs/dbraw/zinc/63/97/46/1167639746.db2.gz XTPLYBOIIYTAQN-UHFFFAOYSA-N -1 3 319.310 0.768 20 5 DCBDHM O=[N+]([O-])c1cc(N2C[C@@H]3C[C@]3(CO)C2)ccc1-c1nnn[n-]1 ZINC001593470267 1167859015 /nfs/dbraw/zinc/85/90/15/1167859015.db2.gz BLUGKCISLQQDST-ISVAXAHUSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2C[C@]2(O)C1 ZINC001593469622 1167859592 /nfs/dbraw/zinc/85/95/92/1167859592.db2.gz YTJVIWDSGIPWIT-QTTZVWFDSA-N -1 3 306.257 0.485 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2C[C@]2(O)C1 ZINC001593469622 1167859596 /nfs/dbraw/zinc/85/95/96/1167859596.db2.gz YTJVIWDSGIPWIT-QTTZVWFDSA-N -1 3 306.257 0.485 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCO[C@@H](CCF)C1 ZINC001593470943 1167862790 /nfs/dbraw/zinc/86/27/90/1167862790.db2.gz RJALGYPJTYQEDL-VIFPVBQESA-N -1 3 323.288 0.735 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCO[C@@H](CCF)C1 ZINC001593470943 1167862800 /nfs/dbraw/zinc/86/28/00/1167862800.db2.gz RJALGYPJTYQEDL-VIFPVBQESA-N -1 3 323.288 0.735 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593474380 1167863088 /nfs/dbraw/zinc/86/30/88/1167863088.db2.gz HBVNSGOTRBCNCH-GBIKHYSHSA-N -1 3 316.321 0.982 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593474380 1167863092 /nfs/dbraw/zinc/86/30/92/1167863092.db2.gz HBVNSGOTRBCNCH-GBIKHYSHSA-N -1 3 316.321 0.982 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001593484876 1167865662 /nfs/dbraw/zinc/86/56/62/1167865662.db2.gz LRFFVDXCSJUWKU-NXEZZACHSA-N -1 3 321.297 0.122 20 5 DCBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001593484876 1167865674 /nfs/dbraw/zinc/86/56/74/1167865674.db2.gz LRFFVDXCSJUWKU-NXEZZACHSA-N -1 3 321.297 0.122 20 5 DCBDHM O=C([O-])c1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001602246161 1169042176 /nfs/dbraw/zinc/04/21/76/1169042176.db2.gz HTAKWELBNADXJE-NSHDSACASA-N -1 3 309.278 0.011 20 5 DCBDHM CCN1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001604347600 1169563796 /nfs/dbraw/zinc/56/37/96/1169563796.db2.gz OFLUGRCYZRVJFH-UHFFFAOYSA-N -1 3 303.282 0.401 20 5 DCBDHM CCN1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001604347600 1169563798 /nfs/dbraw/zinc/56/37/98/1169563798.db2.gz OFLUGRCYZRVJFH-UHFFFAOYSA-N -1 3 303.282 0.401 20 5 DCBDHM CN(CCCCCO)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604740821 1169667836 /nfs/dbraw/zinc/66/78/36/1169667836.db2.gz BOSLQDWSVVPIDY-UHFFFAOYSA-N -1 3 307.314 0.769 20 5 DCBDHM CN(CCCCCO)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604740821 1169667837 /nfs/dbraw/zinc/66/78/37/1169667837.db2.gz BOSLQDWSVVPIDY-UHFFFAOYSA-N -1 3 307.314 0.769 20 5 DCBDHM CN(Cc1ncccn1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604823838 1169698755 /nfs/dbraw/zinc/69/87/55/1169698755.db2.gz KDXQZSVQEHAQDZ-UHFFFAOYSA-N -1 3 313.281 0.596 20 5 DCBDHM CN(Cc1ncccn1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604823838 1169698757 /nfs/dbraw/zinc/69/87/57/1169698757.db2.gz KDXQZSVQEHAQDZ-UHFFFAOYSA-N -1 3 313.281 0.596 20 5 DCBDHM CNC(=O)NCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604886352 1169729433 /nfs/dbraw/zinc/72/94/33/1169729433.db2.gz SYIOTNMCVVATPU-UHFFFAOYSA-N -1 3 324.276 0.255 20 5 DCBDHM CNC(=O)NCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604886352 1169729440 /nfs/dbraw/zinc/72/94/40/1169729440.db2.gz SYIOTNMCVVATPU-UHFFFAOYSA-N -1 3 324.276 0.255 20 5 DCBDHM COC(=O)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604904049 1169740075 /nfs/dbraw/zinc/74/00/75/1169740075.db2.gz RIYAIOFKGXCHTN-GFCCVEGCSA-N -1 3 322.281 0.111 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCOCCF)c1-c1nnn[n-]1 ZINC001606451990 1170208070 /nfs/dbraw/zinc/20/80/70/1170208070.db2.gz WDEDTWOALCLEIL-UHFFFAOYSA-N -1 3 311.277 0.755 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCOCCF)c1-c1nn[n-]n1 ZINC001606451990 1170208075 /nfs/dbraw/zinc/20/80/75/1170208075.db2.gz WDEDTWOALCLEIL-UHFFFAOYSA-N -1 3 311.277 0.755 20 5 DCBDHM O=C(NOCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001606862911 1170317062 /nfs/dbraw/zinc/31/70/62/1170317062.db2.gz NFHYDKSTOXBXSJ-UHFFFAOYSA-N -1 3 304.266 0.733 20 5 DCBDHM O=C(NOCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001606862911 1170317069 /nfs/dbraw/zinc/31/70/69/1170317069.db2.gz NFHYDKSTOXBXSJ-UHFFFAOYSA-N -1 3 304.266 0.733 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001607082326 1170383301 /nfs/dbraw/zinc/38/33/01/1170383301.db2.gz OVINRLFRDRYGMO-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001607082326 1170383308 /nfs/dbraw/zinc/38/33/08/1170383308.db2.gz OVINRLFRDRYGMO-VXGBXAGGSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCS(=O)(=O)CC1 ZINC001607081910 1170383977 /nfs/dbraw/zinc/38/39/77/1170383977.db2.gz KTVFBSZGBOZSQI-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCS(=O)(=O)CC1 ZINC001607081910 1170383978 /nfs/dbraw/zinc/38/39/78/1170383978.db2.gz KTVFBSZGBOZSQI-UHFFFAOYSA-N -1 3 324.322 0.010 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001607080707 1170385040 /nfs/dbraw/zinc/38/50/40/1170385040.db2.gz YRPROXRGUXKSQG-MYJAWHEDSA-N -1 3 302.294 0.449 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001607080707 1170385045 /nfs/dbraw/zinc/38/50/45/1170385045.db2.gz YRPROXRGUXKSQG-MYJAWHEDSA-N -1 3 302.294 0.449 20 5 DCBDHM O=c1c(F)cncn1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001607089597 1170386087 /nfs/dbraw/zinc/38/60/87/1170386087.db2.gz CFNTWEWAONRUIM-UHFFFAOYSA-N -1 3 317.240 0.519 20 5 DCBDHM O=c1c(F)cncn1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001607089597 1170386094 /nfs/dbraw/zinc/38/60/94/1170386094.db2.gz CFNTWEWAONRUIM-UHFFFAOYSA-N -1 3 317.240 0.519 20 5 DCBDHM COC[C@@](C)(O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609316618 1170933052 /nfs/dbraw/zinc/93/30/52/1170933052.db2.gz HMQMOTAMVVUWNM-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM COC[C@@](C)(O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609316618 1170933059 /nfs/dbraw/zinc/93/30/59/1170933059.db2.gz HMQMOTAMVVUWNM-ZDUSSCGKSA-N -1 3 322.325 0.974 20 5 DCBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cnncc1[O-] ZINC001628763736 1171536015 /nfs/dbraw/zinc/53/60/15/1171536015.db2.gz LRYIWSRJHNGJOI-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001631852445 1171603107 /nfs/dbraw/zinc/60/31/07/1171603107.db2.gz ZMPQVEONGWEQKE-UHFFFAOYSA-N -1 3 320.309 0.610 20 5 DCBDHM COC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001640535863 1171882969 /nfs/dbraw/zinc/88/29/69/1171882969.db2.gz LWKWMDVPUKQASK-RKDXNWHRSA-N -1 3 311.294 0.933 20 5 DCBDHM O=c1[n-]ccc(N2CCC(O)(COCCO)CC2)c1[N+](=O)[O-] ZINC001643203246 1171968958 /nfs/dbraw/zinc/96/89/58/1171968958.db2.gz LAJOAOFBNGYAPV-UHFFFAOYSA-N -1 3 313.310 0.036 20 5 DCBDHM COc1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001647860403 1173058605 /nfs/dbraw/zinc/05/86/05/1173058605.db2.gz XNGKKRLBLAOMIS-VIFPVBQESA-N -1 3 320.305 0.845 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001650762569 1173732263 /nfs/dbraw/zinc/73/22/63/1173732263.db2.gz VHBQIJHYDKKHKZ-VIFPVBQESA-N -1 3 305.294 0.618 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCn3nccc32)nc1 ZINC001665711501 1174555076 /nfs/dbraw/zinc/55/50/76/1174555076.db2.gz KUBJPWQSKCZAHB-SNVBAGLBSA-N -1 3 323.334 1.000 20 5 DCBDHM Cc1cnc(NCC=CCNC(=O)c2cn[n-]n2)c([N+](=O)[O-])c1 ZINC001107586545 752135797 /nfs/dbraw/zinc/13/57/97/752135797.db2.gz CFZYSCHPNZNUDI-IHWYPQMZSA-N -1 3 317.309 0.814 20 5 DCBDHM CSCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105321366 748132706 /nfs/dbraw/zinc/13/27/06/748132706.db2.gz MQJNFCOXIRVPCT-UHFFFAOYSA-N -1 3 314.367 0.953 20 5 DCBDHM CCC(=O)NCCN(CCOC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001126172514 748265910 /nfs/dbraw/zinc/26/59/10/748265910.db2.gz URXRLQSXPWLPIJ-UHFFFAOYSA-N -1 3 312.326 0.674 20 5 DCBDHM Cc1cnc(N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC001059880459 749672629 /nfs/dbraw/zinc/67/26/29/749672629.db2.gz KNVNLGXVUWAEMS-DTORHVGOSA-N -1 3 317.309 0.789 20 5 DCBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001109400036 761397441 /nfs/dbraw/zinc/39/74/41/761397441.db2.gz KHPZOXJUAXKQBH-UHFFFAOYSA-N -1 3 320.309 0.993 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)(C)O ZINC001101569022 764163983 /nfs/dbraw/zinc/16/39/83/764163983.db2.gz PYWCIEBIMLIRMH-UHFFFAOYSA-N -1 3 312.326 0.727 20 5 DCBDHM CSc1ccc(C(=O)[N-]n2ccc(=O)[nH]c2=O)cc1[N+](=O)[O-] ZINC001149611713 768795461 /nfs/dbraw/zinc/79/54/61/768795461.db2.gz PWCWYEKPGOWUDK-UHFFFAOYSA-N -1 3 322.302 0.963 20 5 DCBDHM Cc1c[nH]c(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001094835163 769334707 /nfs/dbraw/zinc/33/47/07/769334707.db2.gz IAQQADYVPDYWKJ-UHFFFAOYSA-N -1 3 320.309 0.959 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])cnc1Nc1cnc(C)[n-]c1=O ZINC001162298028 772354699 /nfs/dbraw/zinc/35/46/99/772354699.db2.gz MGZFOGANPLEQMP-SECBINFHSA-N -1 3 305.250 0.586 20 5 DCBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001164396896 772654682 /nfs/dbraw/zinc/65/46/82/772654682.db2.gz WDUOIFJNNAJRFH-QMMMGPOBSA-N -1 3 317.305 0.762 20 5 DCBDHM O=C([N-]c1n[nH]c(SCCO)n1)c1ccc([N+](=O)[O-])cn1 ZINC000535727674 803872891 /nfs/dbraw/zinc/87/28/91/803872891.db2.gz CJNDMBQXOMLSRW-UHFFFAOYSA-N -1 3 310.295 0.445 20 5 DCBDHM Cc1nnc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1C ZINC001321111820 946172982 /nfs/dbraw/zinc/17/29/82/946172982.db2.gz RUJWIIRQCOFKSV-UHFFFAOYSA-N -1 3 311.323 0.510 20 5 DCBDHM COCCN(C)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001344951065 953565727 /nfs/dbraw/zinc/56/57/27/953565727.db2.gz NQXWMVYRSRAWCL-UHFFFAOYSA-N -1 3 308.298 0.574 20 5 DCBDHM NC(=O)c1cc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001472843515 956507924 /nfs/dbraw/zinc/50/79/24/956507924.db2.gz WQGLINKVSFBKLJ-QMMMGPOBSA-N -1 3 305.294 0.618 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCOC2=O)c([N+](=O)[O-])s1 ZINC001463823721 1013169876 /nfs/dbraw/zinc/16/98/76/1013169876.db2.gz WSJUAZOJDLILEU-SNVBAGLBSA-N -1 3 320.348 0.949 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccn2)nc1 ZINC001309291528 960193457 /nfs/dbraw/zinc/19/34/57/960193457.db2.gz ZLQFODITOBCCCH-UHFFFAOYSA-N -1 3 323.334 0.775 20 5 DCBDHM COc1c(O)ccc(CN[C@](C)(CO)C(=O)[O-])c1[N+](=O)[O-] ZINC001599344106 997971942 /nfs/dbraw/zinc/97/19/42/997971942.db2.gz CRJPZHJRXLQXQW-GFCCVEGCSA-N -1 3 300.267 0.234 20 5 DCBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001455302990 1009643557 /nfs/dbraw/zinc/64/35/57/1009643557.db2.gz BJTCLBPVESWINL-WDEREUQCSA-N -1 3 321.333 0.582 20 5 DCBDHM COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001475796159 1017157720 /nfs/dbraw/zinc/15/77/20/1017157720.db2.gz LISPUBDYJZHMAX-HFSLJOEWSA-N -1 3 315.307 0.386 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000425209587 240313680 /nfs/dbraw/zinc/31/36/80/240313680.db2.gz RZVYGJOZGGOUSN-RKDXNWHRSA-N -1 3 302.308 0.405 20 5 DCBDHM CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000288394074 220129509 /nfs/dbraw/zinc/12/95/09/220129509.db2.gz KOIKJPMSILHVPN-UHFFFAOYSA-N -1 3 322.365 0.668 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)NC(C)C ZINC000046033833 395769867 /nfs/dbraw/zinc/76/98/67/395769867.db2.gz MPYSBDYLZOPAAN-UHFFFAOYSA-N -1 3 315.351 0.706 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000048673804 395822233 /nfs/dbraw/zinc/82/22/33/395822233.db2.gz MLCZAHYFCMVHFG-QMMMGPOBSA-N -1 3 301.324 0.316 20 5 DCBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000047331341 395790792 /nfs/dbraw/zinc/79/07/92/395790792.db2.gz IFYVTGAAPXHATK-MRVPVSSYSA-N -1 3 311.323 0.763 20 5 DCBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278083358 396105015 /nfs/dbraw/zinc/10/50/15/396105015.db2.gz HMTUGVOFYDUNCQ-GZMMTYOYSA-N -1 3 306.322 0.908 20 5 DCBDHM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000187106808 396363781 /nfs/dbraw/zinc/36/37/81/396363781.db2.gz SPQUQBXOBGUEIQ-JTQLQIEISA-N -1 3 323.353 0.061 20 5 DCBDHM COC(=O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268892515 396376642 /nfs/dbraw/zinc/37/66/42/396376642.db2.gz UXKDPALLAHLEEE-UHFFFAOYSA-N -1 3 302.308 0.663 20 5 DCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000269798213 396447074 /nfs/dbraw/zinc/44/70/74/396447074.db2.gz OIQPLIZMQXVALF-SNVBAGLBSA-N -1 3 318.351 0.497 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000291961677 396522017 /nfs/dbraw/zinc/52/20/17/396522017.db2.gz PNUHXAWKHLQNMA-VIFPVBQESA-N -1 3 315.351 0.624 20 5 DCBDHM Cn1ccc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000582000325 396599370 /nfs/dbraw/zinc/59/93/70/396599370.db2.gz IQBNKBSTBSFXLN-UHFFFAOYSA-N -1 3 310.335 0.849 20 5 DCBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[n-]1 ZINC000588718414 396689618 /nfs/dbraw/zinc/68/96/18/396689618.db2.gz ZLNGMHRWHSNKNV-UHFFFAOYSA-N -1 3 321.249 0.848 20 5 DCBDHM CS(=O)(=O)N1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173623 396727048 /nfs/dbraw/zinc/72/70/48/396727048.db2.gz YWOZFIPSHTXGHQ-MRVPVSSYSA-N -1 3 316.339 0.531 20 5 DCBDHM O=c1[n-]nc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000295493287 396697649 /nfs/dbraw/zinc/69/76/49/396697649.db2.gz ZKQKEXSKBVZWEU-VIFPVBQESA-N -1 3 308.298 0.347 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000591820844 397005761 /nfs/dbraw/zinc/00/57/61/397005761.db2.gz FVBAPOGAAKVQIS-MRVPVSSYSA-N -1 3 302.308 0.671 20 5 DCBDHM COc1c(C(=O)NCCCc2cc(=O)[nH][n-]2)cccc1[N+](=O)[O-] ZINC000597664956 397050672 /nfs/dbraw/zinc/05/06/72/397050672.db2.gz PRAMUAJUSPWXNG-UHFFFAOYSA-N -1 3 320.305 0.989 20 5 DCBDHM COc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC000609623348 397787447 /nfs/dbraw/zinc/78/74/47/397787447.db2.gz GIMMXUVBPVETDM-JTQLQIEISA-N -1 3 320.305 0.845 20 5 DCBDHM C[S@](=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116901697 158168739 /nfs/dbraw/zinc/16/87/39/158168739.db2.gz HVIKYXQSINQHDC-LJQANCHMSA-N -1 3 324.355 0.781 20 5 DCBDHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000126234935 158263869 /nfs/dbraw/zinc/26/38/69/158263869.db2.gz MRFUSWDFXFZQPX-MRVPVSSYSA-N -1 3 304.324 0.653 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H](C)O ZINC000085990890 415504989 /nfs/dbraw/zinc/50/49/89/415504989.db2.gz OEKWMZWXFXAIJS-QMMMGPOBSA-N -1 3 304.324 0.653 20 5 DCBDHM COC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343471290 415610421 /nfs/dbraw/zinc/61/04/21/415610421.db2.gz SNQZVJJGAMSCSP-UHFFFAOYSA-N -1 3 308.337 0.806 20 5 DCBDHM Cc1ncc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000343971881 415804470 /nfs/dbraw/zinc/80/44/70/415804470.db2.gz NTUXUGLCQXHRJT-UHFFFAOYSA-N -1 3 324.318 0.877 20 5 DCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c1C ZINC000295404866 415889662 /nfs/dbraw/zinc/88/96/62/415889662.db2.gz SXEJQKXHSMKZQN-MWLCHTKSSA-N -1 3 316.335 0.250 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000345564320 416115013 /nfs/dbraw/zinc/11/50/13/416115013.db2.gz XPXHLBRUGPVWFH-UHFFFAOYSA-N -1 3 319.277 0.610 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000345564320 416115017 /nfs/dbraw/zinc/11/50/17/416115017.db2.gz XPXHLBRUGPVWFH-UHFFFAOYSA-N -1 3 319.277 0.610 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000345564320 416115021 /nfs/dbraw/zinc/11/50/21/416115021.db2.gz XPXHLBRUGPVWFH-UHFFFAOYSA-N -1 3 319.277 0.610 20 5 DCBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179060477 416181052 /nfs/dbraw/zinc/18/10/52/416181052.db2.gz TWWKSUSNHVFFCI-UHFFFAOYSA-N -1 3 300.274 0.877 20 5 DCBDHM Cc1cc(N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360089387 416370265 /nfs/dbraw/zinc/37/02/65/416370265.db2.gz LOZOZJOPRLLBIX-LLVKDONJSA-N -1 3 308.269 0.783 20 5 DCBDHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416567849 416376568 /nfs/dbraw/zinc/37/65/68/416376568.db2.gz JJGZXTQFWHWAAD-VHSXEESVSA-N -1 3 320.298 0.426 20 5 DCBDHM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000515407346 416701595 /nfs/dbraw/zinc/70/15/95/416701595.db2.gz NEHVYGAJZMZYRW-SECBINFHSA-N -1 3 324.337 0.097 20 5 DCBDHM CCn1cc(S(=O)(=O)[N-]c2ccnc(C)c2)c([N+](=O)[O-])n1 ZINC000443413331 416756707 /nfs/dbraw/zinc/75/67/07/416756707.db2.gz FXWXDHWOGOUWEX-UHFFFAOYSA-N -1 3 311.323 0.737 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000444200949 416818090 /nfs/dbraw/zinc/81/80/90/416818090.db2.gz AYIDSMMZUYYJKK-ZCFIWIBFSA-N -1 3 305.337 0.132 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000524409170 417107816 /nfs/dbraw/zinc/10/78/16/417107816.db2.gz JSACHQKMIIFPCL-JTQLQIEISA-N -1 3 320.305 0.602 20 5 DCBDHM COCC(COC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451889704 417409110 /nfs/dbraw/zinc/40/91/10/417409110.db2.gz MYKMPXONSAXGSX-UHFFFAOYSA-N -1 3 304.324 0.535 20 5 DCBDHM O=C(NC[C@H]1CCCN1CCCO)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000452360319 417472633 /nfs/dbraw/zinc/47/26/33/417472633.db2.gz ILWFHFQNSLWWPZ-GFCCVEGCSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C(NC[C@H]1CCCN1CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000452783672 417501267 /nfs/dbraw/zinc/50/12/67/417501267.db2.gz NCNAGTSLHLHZLJ-GFCCVEGCSA-N -1 3 323.349 0.877 20 5 DCBDHM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000358548884 271057199 /nfs/dbraw/zinc/05/71/99/271057199.db2.gz VOVHICCYKDCTRJ-UHFFFAOYSA-N -1 3 315.351 0.660 20 5 DCBDHM CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000420043249 271354834 /nfs/dbraw/zinc/35/48/34/271354834.db2.gz OOFFDRVCKHYTFA-ZDUSSCGKSA-N -1 3 312.326 0.128 20 5 DCBDHM CC(C)[C@@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000285459757 280112243 /nfs/dbraw/zinc/11/22/43/280112243.db2.gz ZEHLTMRQRIYQSM-GFCCVEGCSA-N -1 3 315.351 0.773 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000234807366 293112590 /nfs/dbraw/zinc/11/25/90/293112590.db2.gz JSYKBJNCKRBAKX-VIFPVBQESA-N -1 3 304.324 0.189 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC(=O)NC1 ZINC000070286845 302047781 /nfs/dbraw/zinc/04/77/81/302047781.db2.gz LKFAOYZNSSFTSC-SECBINFHSA-N -1 3 313.335 0.460 20 5 DCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC(N)=O)c1[N+](=O)[O-] ZINC000189856580 524193169 /nfs/dbraw/zinc/19/31/69/524193169.db2.gz MZNWAQLQLHRIPG-UHFFFAOYSA-N -1 3 301.324 0.365 20 5 DCBDHM CC(C)(CCC(=O)Nc1nnc(SCCO)[n-]1)[N+](=O)[O-] ZINC000294800388 527007833 /nfs/dbraw/zinc/00/78/33/527007833.db2.gz BGJUHZCPZMLZJE-UHFFFAOYSA-N -1 3 303.344 0.663 20 5 DCBDHM CC(C)(CCC(=O)Nc1nc(SCCO)n[n-]1)[N+](=O)[O-] ZINC000294800388 527007837 /nfs/dbraw/zinc/00/78/37/527007837.db2.gz BGJUHZCPZMLZJE-UHFFFAOYSA-N -1 3 303.344 0.663 20 5 DCBDHM CC(C)(CCC(=O)Nc1n[n-]c(SCCO)n1)[N+](=O)[O-] ZINC000294800388 527007841 /nfs/dbraw/zinc/00/78/41/527007841.db2.gz BGJUHZCPZMLZJE-UHFFFAOYSA-N -1 3 303.344 0.663 20 5 DCBDHM COC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736978779 598854027 /nfs/dbraw/zinc/85/40/27/598854027.db2.gz RPBBWSHRWVFCAO-QMMMGPOBSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736978779 598854029 /nfs/dbraw/zinc/85/40/29/598854029.db2.gz RPBBWSHRWVFCAO-QMMMGPOBSA-N -1 3 308.298 0.584 20 5 DCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1csc([N+](=O)[O-])c1 ZINC000738194231 599251074 /nfs/dbraw/zinc/25/10/74/599251074.db2.gz ARHYQPLTNOVWET-UHFFFAOYSA-N -1 3 317.290 0.906 20 5 DCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC000738194231 599251077 /nfs/dbraw/zinc/25/10/77/599251077.db2.gz ARHYQPLTNOVWET-UHFFFAOYSA-N -1 3 317.290 0.906 20 5 DCBDHM C[C@@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736076766 598498568 /nfs/dbraw/zinc/49/85/68/598498568.db2.gz CTKGVSCJWSZMQO-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736076766 598498570 /nfs/dbraw/zinc/49/85/70/598498570.db2.gz CTKGVSCJWSZMQO-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM CN(C[C@H]1CCCO1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736792860 598500529 /nfs/dbraw/zinc/50/05/29/598500529.db2.gz SVNABEAMRYUGKA-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM CN(C[C@H]1CCCO1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736792860 598500531 /nfs/dbraw/zinc/50/05/31/598500531.db2.gz SVNABEAMRYUGKA-SECBINFHSA-N -1 3 305.298 0.785 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2(O)CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738373477 598503140 /nfs/dbraw/zinc/50/31/40/598503140.db2.gz DMWOOAUMNBEQKP-UHFFFAOYSA-N -1 3 321.297 0.123 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC2(O)CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738373477 598503141 /nfs/dbraw/zinc/50/31/41/598503141.db2.gz DMWOOAUMNBEQKP-UHFFFAOYSA-N -1 3 321.297 0.123 20 5 DCBDHM Nc1nc(Oc2ccccc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000737776152 598551744 /nfs/dbraw/zinc/55/17/44/598551744.db2.gz JGSCSODMMZTPDD-UHFFFAOYSA-N -1 3 300.238 0.939 20 5 DCBDHM Nc1nc(Oc2ccccc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000737776152 598551746 /nfs/dbraw/zinc/55/17/46/598551746.db2.gz JGSCSODMMZTPDD-UHFFFAOYSA-N -1 3 300.238 0.939 20 5 DCBDHM C[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736142300 598679496 /nfs/dbraw/zinc/67/94/96/598679496.db2.gz DRYFSGJSASRKSS-MRVPVSSYSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736142300 598679498 /nfs/dbraw/zinc/67/94/98/598679498.db2.gz DRYFSGJSASRKSS-MRVPVSSYSA-N -1 3 319.325 0.767 20 5 DCBDHM CNC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736869918 598815559 /nfs/dbraw/zinc/81/55/59/598815559.db2.gz DALYXEHKFBSTIK-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736869918 598815560 /nfs/dbraw/zinc/81/55/60/598815560.db2.gz DALYXEHKFBSTIK-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CCc1nnc(-n2cc([N+](=O)[O-])cn2)c(-c2nnn[n-]2)c1CC ZINC000821517568 606918881 /nfs/dbraw/zinc/91/88/81/606918881.db2.gz KNKWMCVBYNKNQZ-UHFFFAOYSA-N -1 3 315.297 0.875 20 5 DCBDHM CCc1nnc(-n2cc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)c1CC ZINC000821517568 606918882 /nfs/dbraw/zinc/91/88/82/606918882.db2.gz KNKWMCVBYNKNQZ-UHFFFAOYSA-N -1 3 315.297 0.875 20 5 DCBDHM C[C@H]1CO[C@@H](CO)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820804673 607028946 /nfs/dbraw/zinc/02/89/46/607028946.db2.gz XIDSKANCIRDCFX-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CO[C@@H](CO)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820804673 607028948 /nfs/dbraw/zinc/02/89/48/607028948.db2.gz XIDSKANCIRDCFX-WCBMZHEXSA-N -1 3 320.309 0.361 20 5 DCBDHM O=[N+]([O-])c1ccn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826500928 607868608 /nfs/dbraw/zinc/86/86/08/607868608.db2.gz RVPVTQHIUQFEHT-JTQLQIEISA-N -1 3 301.266 0.705 20 5 DCBDHM O=[N+]([O-])c1ccn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826500928 607868609 /nfs/dbraw/zinc/86/86/09/607868609.db2.gz RVPVTQHIUQFEHT-JTQLQIEISA-N -1 3 301.266 0.705 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824691282 609569504 /nfs/dbraw/zinc/56/95/04/609569504.db2.gz ZAHNFEYYTIDLER-BDAKNGLRSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824691282 609569506 /nfs/dbraw/zinc/56/95/06/609569506.db2.gz ZAHNFEYYTIDLER-BDAKNGLRSA-N -1 3 304.310 0.982 20 5 DCBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NN1CC(=O)[N-]C1=O ZINC000770392475 668690814 /nfs/dbraw/zinc/69/08/14/668690814.db2.gz SRCYVCUIFSRQEX-UHFFFAOYSA-N -1 3 313.657 0.837 20 5 DCBDHM CCn1ncn([N-]C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1=O ZINC000816736989 670854648 /nfs/dbraw/zinc/85/46/48/670854648.db2.gz URWIAOJZPRAFQF-UHFFFAOYSA-N -1 3 321.293 0.674 20 5 DCBDHM O=[N+]([O-])c1ncn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826500684 671489933 /nfs/dbraw/zinc/48/99/33/671489933.db2.gz HZZATFLOPWFKEI-SECBINFHSA-N -1 3 302.254 0.100 20 5 DCBDHM O=[N+]([O-])c1ncn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826500684 671489935 /nfs/dbraw/zinc/48/99/35/671489935.db2.gz HZZATFLOPWFKEI-SECBINFHSA-N -1 3 302.254 0.100 20 5 DCBDHM C[C@H]1CCNC(=O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590276838 1166838317 /nfs/dbraw/zinc/83/83/17/1166838317.db2.gz FDXWKEAMVQLJDH-WRWORJQWSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@H]1CCNC(=O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590276838 1166838323 /nfs/dbraw/zinc/83/83/23/1166838323.db2.gz FDXWKEAMVQLJDH-WRWORJQWSA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)C1O ZINC001590318694 1166861538 /nfs/dbraw/zinc/86/15/38/1166861538.db2.gz VZJBBCLXILSVCJ-YUMQZZPRSA-N -1 3 319.325 0.623 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)C1O ZINC001590318694 1166861545 /nfs/dbraw/zinc/86/15/45/1166861545.db2.gz VZJBBCLXILSVCJ-YUMQZZPRSA-N -1 3 319.325 0.623 20 5 DCBDHM CCN1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1=O ZINC001590737394 1166994668 /nfs/dbraw/zinc/99/46/68/1166994668.db2.gz MGLYRSYEBXDKMX-UHFFFAOYSA-N -1 3 303.282 0.401 20 5 DCBDHM CCn1cc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001590954659 1167060226 /nfs/dbraw/zinc/06/02/26/1167060226.db2.gz VNESJOQDQMZTSU-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1cc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001590954659 1167060230 /nfs/dbraw/zinc/06/02/30/1167060230.db2.gz VNESJOQDQMZTSU-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN(CCCCCO)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591065451 1167101198 /nfs/dbraw/zinc/10/11/98/1167101198.db2.gz PRIMRFJCKKBDJD-UHFFFAOYSA-N -1 3 321.341 0.956 20 5 DCBDHM CN(CCCCCO)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591065451 1167101206 /nfs/dbraw/zinc/10/12/06/1167101206.db2.gz PRIMRFJCKKBDJD-UHFFFAOYSA-N -1 3 321.341 0.956 20 5 DCBDHM CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001591181434 1167132638 /nfs/dbraw/zinc/13/26/38/1167132638.db2.gz XFKSBSOIJKXULH-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001591181434 1167132641 /nfs/dbraw/zinc/13/26/41/1167132641.db2.gz XFKSBSOIJKXULH-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM COC[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591371390 1167244426 /nfs/dbraw/zinc/24/44/26/1167244426.db2.gz RXQMAGXOFBYAIE-LBPRGKRZSA-N -1 3 323.313 0.166 20 5 DCBDHM COC[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591371390 1167244432 /nfs/dbraw/zinc/24/44/32/1167244432.db2.gz RXQMAGXOFBYAIE-LBPRGKRZSA-N -1 3 323.313 0.166 20 5 DCBDHM CON1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591467398 1167299173 /nfs/dbraw/zinc/29/91/73/1167299173.db2.gz NCMUQAMNWKMKQS-UHFFFAOYSA-N -1 3 319.325 0.767 20 5 DCBDHM CON1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591467398 1167299181 /nfs/dbraw/zinc/29/91/81/1167299181.db2.gz NCMUQAMNWKMKQS-UHFFFAOYSA-N -1 3 319.325 0.767 20 5 DCBDHM CS(=O)(=O)C1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591673053 1167348567 /nfs/dbraw/zinc/34/85/67/1167348567.db2.gz IZMASFFRFOUJKN-UHFFFAOYSA-N -1 3 324.322 0.008 20 5 DCBDHM Cc1ccc(NCCn2cc([N+](=O)[O-])cn2)nc1-c1nnn[n-]1 ZINC001592185814 1167473984 /nfs/dbraw/zinc/47/39/84/1167473984.db2.gz NFTXSNPLGMSYTK-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1nnnn1-c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592450982 1167530390 /nfs/dbraw/zinc/53/03/90/1167530390.db2.gz LOBIBWPUVUVKQP-UHFFFAOYSA-N -1 3 324.264 0.607 20 5 DCBDHM Cc1nnnn1-c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592450982 1167530398 /nfs/dbraw/zinc/53/03/98/1167530398.db2.gz LOBIBWPUVUVKQP-UHFFFAOYSA-N -1 3 324.264 0.607 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592602623 1167580768 /nfs/dbraw/zinc/58/07/68/1167580768.db2.gz SZFGXIZPCCGGKG-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592602623 1167580776 /nfs/dbraw/zinc/58/07/76/1167580776.db2.gz SZFGXIZPCCGGKG-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM NC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592732746 1167620297 /nfs/dbraw/zinc/62/02/97/1167620297.db2.gz IWYOOCYYTCZKQK-VIFPVBQESA-N -1 3 303.282 0.229 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](O)C2)c1-c1nnn[n-]1 ZINC001592755881 1167632606 /nfs/dbraw/zinc/63/26/06/1167632606.db2.gz CBVRWIZXBHYSBA-ZETCQYMHSA-N -1 3 305.298 0.318 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC001592755881 1167632611 /nfs/dbraw/zinc/63/26/11/1167632611.db2.gz CBVRWIZXBHYSBA-ZETCQYMHSA-N -1 3 305.298 0.318 20 5 DCBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001593297004 1167765077 /nfs/dbraw/zinc/76/50/77/1167765077.db2.gz WHVIATVNYYLZLS-NSHDSACASA-N -1 3 319.277 0.997 20 5 DCBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001593297004 1167765079 /nfs/dbraw/zinc/76/50/79/1167765079.db2.gz WHVIATVNYYLZLS-NSHDSACASA-N -1 3 319.277 0.997 20 5 DCBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001593297003 1167765178 /nfs/dbraw/zinc/76/51/78/1167765178.db2.gz WHVIATVNYYLZLS-LLVKDONJSA-N -1 3 319.277 0.997 20 5 DCBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001593297003 1167765186 /nfs/dbraw/zinc/76/51/86/1167765186.db2.gz WHVIATVNYYLZLS-LLVKDONJSA-N -1 3 319.277 0.997 20 5 DCBDHM O=C1C[C@H](CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CN1 ZINC001593386342 1167797890 /nfs/dbraw/zinc/79/78/90/1167797890.db2.gz VCAYXJJJAPFKTJ-QMMMGPOBSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1C[C@H](CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CN1 ZINC001593386342 1167797898 /nfs/dbraw/zinc/79/78/98/1167797898.db2.gz VCAYXJJJAPFKTJ-QMMMGPOBSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCN1 ZINC001593399359 1167810521 /nfs/dbraw/zinc/81/05/21/1167810521.db2.gz XLAFGIOKJGSLAZ-UHFFFAOYSA-N -1 3 317.309 0.097 20 5 DCBDHM O=C1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCN1 ZINC001593399359 1167810530 /nfs/dbraw/zinc/81/05/30/1167810530.db2.gz XLAFGIOKJGSLAZ-UHFFFAOYSA-N -1 3 317.309 0.097 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[S@@](=O)C1 ZINC001593474129 1167860344 /nfs/dbraw/zinc/86/03/44/1167860344.db2.gz FUZZPVBMCSVOEI-IJSAXESFSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[S@@](=O)C1 ZINC001593474129 1167860352 /nfs/dbraw/zinc/86/03/52/1167860352.db2.gz FUZZPVBMCSVOEI-IJSAXESFSA-N -1 3 308.323 0.708 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1COCCO1 ZINC001593475746 1167861109 /nfs/dbraw/zinc/86/11/09/1167861109.db2.gz SUGGQPQSMCQAEG-SECBINFHSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1COCCO1 ZINC001593475746 1167861118 /nfs/dbraw/zinc/86/11/18/1167861118.db2.gz SUGGQPQSMCQAEG-SECBINFHSA-N -1 3 306.282 0.602 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(-c2nnn[n-]2)c1 ZINC001593475996 1167861811 /nfs/dbraw/zinc/86/18/11/1167861811.db2.gz HXFNNEDWHHSSOH-ISVAXAHUSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(-c2nn[n-]n2)c1 ZINC001593475996 1167861823 /nfs/dbraw/zinc/86/18/23/1167861823.db2.gz HXFNNEDWHHSSOH-ISVAXAHUSA-N -1 3 302.294 0.594 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCn1ccnn1 ZINC001593474727 1167865041 /nfs/dbraw/zinc/86/50/41/1167865041.db2.gz HYADQYPHQXMAJD-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCn1ccnn1 ZINC001593474727 1167865048 /nfs/dbraw/zinc/86/50/48/1167865048.db2.gz HYADQYPHQXMAJD-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCn3nncc3C2)c(-c2nnn[n-]2)c1 ZINC001593479160 1167867013 /nfs/dbraw/zinc/86/70/13/1167867013.db2.gz SPLZLJPOVKSZNI-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCn3nncc3C2)c(-c2nn[n-]n2)c1 ZINC001593479160 1167867035 /nfs/dbraw/zinc/86/70/35/1167867035.db2.gz SPLZLJPOVKSZNI-UHFFFAOYSA-N -1 3 313.281 0.387 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCC2CC(O)C2)c(-c2nnn[n-]2)c1 ZINC001593484822 1167869700 /nfs/dbraw/zinc/86/97/00/1167869700.db2.gz JEEWIFUAGHWHNH-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=[N+]([O-])c1cnc(NCCC2CC(O)C2)c(-c2nn[n-]n2)c1 ZINC001593484822 1167869708 /nfs/dbraw/zinc/86/97/08/1167869708.db2.gz JEEWIFUAGHWHNH-UHFFFAOYSA-N -1 3 305.298 0.743 20 5 DCBDHM O=C([O-])[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(O)c1 ZINC001601675654 1168812771 /nfs/dbraw/zinc/81/27/71/1168812771.db2.gz RJLXXUGBBZXVJB-LBPRGKRZSA-N -1 3 306.278 0.912 20 5 DCBDHM CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602950579 1169219077 /nfs/dbraw/zinc/21/90/77/1169219077.db2.gz KVIFYRVKARVVKC-MGCOHNPYSA-N -1 3 317.309 0.854 20 5 DCBDHM CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602950579 1169219087 /nfs/dbraw/zinc/21/90/87/1169219087.db2.gz KVIFYRVKARVVKC-MGCOHNPYSA-N -1 3 317.309 0.854 20 5 DCBDHM CC[C@H](O)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604066725 1169483816 /nfs/dbraw/zinc/48/38/16/1169483816.db2.gz IGIOZUNXXAUQLG-JTQLQIEISA-N -1 3 321.293 0.979 20 5 DCBDHM CC[C@H](O)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604066725 1169483820 /nfs/dbraw/zinc/48/38/20/1169483820.db2.gz IGIOZUNXXAUQLG-JTQLQIEISA-N -1 3 321.293 0.979 20 5 DCBDHM CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCNC1=O ZINC001604332080 1169556596 /nfs/dbraw/zinc/55/65/96/1169556596.db2.gz KXJRBOSGHLEJMV-NSHDSACASA-N -1 3 317.309 0.490 20 5 DCBDHM CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCNC1=O ZINC001604332080 1169556598 /nfs/dbraw/zinc/55/65/98/1169556598.db2.gz KXJRBOSGHLEJMV-NSHDSACASA-N -1 3 317.309 0.490 20 5 DCBDHM NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001606426018 1170196753 /nfs/dbraw/zinc/19/67/53/1170196753.db2.gz LNIJHIRVMQUXEM-SNVBAGLBSA-N -1 3 303.282 0.229 20 5 DCBDHM NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001606426018 1170196754 /nfs/dbraw/zinc/19/67/54/1170196754.db2.gz LNIJHIRVMQUXEM-SNVBAGLBSA-N -1 3 303.282 0.229 20 5 DCBDHM O=[N+]([O-])c1cc(N[C@H]2CCS(=O)(=O)C2)ccc1-c1nnn[n-]1 ZINC001607078872 1170381930 /nfs/dbraw/zinc/38/19/30/1170381930.db2.gz AZOLROBXEYNORD-QMMMGPOBSA-N -1 3 324.322 0.374 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC(CCO)CC1 ZINC001607080113 1170382019 /nfs/dbraw/zinc/38/20/19/1170382019.db2.gz IILIIMLCWRLAOV-UHFFFAOYSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC(CCO)CC1 ZINC001607080113 1170382022 /nfs/dbraw/zinc/38/20/22/1170382022.db2.gz IILIIMLCWRLAOV-UHFFFAOYSA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2nnn[n-]2)c1 ZINC001607085408 1170383740 /nfs/dbraw/zinc/38/37/40/1170383740.db2.gz ARBPWCKCPJABFT-QNSHHTMESA-N -1 3 303.282 0.902 20 5 DCBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2nn[n-]n2)c1 ZINC001607085408 1170383741 /nfs/dbraw/zinc/38/37/41/1170383741.db2.gz ARBPWCKCPJABFT-QNSHHTMESA-N -1 3 303.282 0.902 20 5 DCBDHM O=C([O-])COc1ccc(CN[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC001608759401 1170752092 /nfs/dbraw/zinc/75/20/92/1170752092.db2.gz KDFAMPAFDMJCRZ-SNVBAGLBSA-N -1 3 316.285 0.868 20 5 DCBDHM CC1(C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001609143702 1170825579 /nfs/dbraw/zinc/82/55/79/1170825579.db2.gz TVJLXEORFPNNFC-BDAKNGLRSA-N -1 3 305.298 0.741 20 5 DCBDHM CC1(C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001609143702 1170825581 /nfs/dbraw/zinc/82/55/81/1170825581.db2.gz TVJLXEORFPNNFC-BDAKNGLRSA-N -1 3 305.298 0.741 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001609602091 1171040813 /nfs/dbraw/zinc/04/08/13/1171040813.db2.gz NLIXDRUTHILIIB-URLYPYJESA-N -1 3 302.294 0.449 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001609602091 1171040821 /nfs/dbraw/zinc/04/08/21/1171040821.db2.gz NLIXDRUTHILIIB-URLYPYJESA-N -1 3 302.294 0.449 20 5 DCBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001634142748 1171662455 /nfs/dbraw/zinc/66/24/55/1171662455.db2.gz ABADFEDQZJCSSP-MRVPVSSYSA-N -1 3 305.294 0.419 20 5 DCBDHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc([N+](=O)[O-])o1 ZINC001636850315 1171752261 /nfs/dbraw/zinc/75/22/61/1171752261.db2.gz XEARPYKYITUCSY-MRVPVSSYSA-N -1 3 319.277 0.692 20 5 DCBDHM COc1c([O-])ccc(CN2C[C@@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] ZINC001657789721 1173916059 /nfs/dbraw/zinc/91/60/59/1173916059.db2.gz UAMOIAYSWIWIMR-KOLCDFICSA-N -1 3 312.322 0.891 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)OC2=O)c([N+](=O)[O-])s1 ZINC001664214436 1174410392 /nfs/dbraw/zinc/41/03/92/1174410392.db2.gz CDLQTPQAEIWTNF-CAHLUQPWSA-N -1 3 320.348 0.947 20 5 DCBDHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001664752458 1174454988 /nfs/dbraw/zinc/45/49/88/1174454988.db2.gz ZMVAXYFZQUJGJH-JTQLQIEISA-N -1 3 324.380 0.640 20 5 DCBDHM Cc1nc(N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC001059458469 749199050 /nfs/dbraw/zinc/19/90/50/749199050.db2.gz KEGLPFRRBMGICW-KYZUINATSA-N -1 3 317.309 0.789 20 5 DCBDHM CCc1nc[nH]c1C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093785224 768725261 /nfs/dbraw/zinc/72/52/61/768725261.db2.gz BHQKPLJFDUTMGS-UHFFFAOYSA-N -1 3 320.309 0.823 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1n[nH]cc1F ZINC001094765651 769224629 /nfs/dbraw/zinc/22/46/29/769224629.db2.gz WDYIYTVNUOXOIN-UHFFFAOYSA-N -1 3 324.272 0.790 20 5 DCBDHM O=C(Cc1cnoc1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094732435 769236598 /nfs/dbraw/zinc/23/65/98/769236598.db2.gz NGKKOAFGPDWSSM-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM COC(=O)c1cnc(Nc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001162297529 772354338 /nfs/dbraw/zinc/35/43/38/772354338.db2.gz FCPFYIKSIWGQSO-MRVPVSSYSA-N -1 3 305.250 0.586 20 5 DCBDHM CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162305886 772357109 /nfs/dbraw/zinc/35/71/09/772357109.db2.gz OQMSVDWMJJNQLR-MRVPVSSYSA-N -1 3 319.281 0.462 20 5 DCBDHM COCC(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095387135 775029294 /nfs/dbraw/zinc/02/92/94/775029294.db2.gz XBNJOCLRXMYECS-UHFFFAOYSA-N -1 3 310.310 0.427 20 5 DCBDHM CN(CCNC(=O)c1cnsn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099945899 947826938 /nfs/dbraw/zinc/82/69/38/947826938.db2.gz OQPIRUPTWCHLST-UHFFFAOYSA-N -1 3 324.322 0.413 20 5 DCBDHM COc1nc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n[n-]1 ZINC001341944728 953259553 /nfs/dbraw/zinc/25/95/53/953259553.db2.gz INELFGMHGNGXDC-UHFFFAOYSA-N -1 3 311.229 0.878 20 5 DCBDHM COc1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[n-]1 ZINC001341944728 953259550 /nfs/dbraw/zinc/25/95/50/953259550.db2.gz INELFGMHGNGXDC-UHFFFAOYSA-N -1 3 311.229 0.878 20 5 DCBDHM COc1n[n-]c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC001341944728 953259557 /nfs/dbraw/zinc/25/95/57/953259557.db2.gz INELFGMHGNGXDC-UHFFFAOYSA-N -1 3 311.229 0.878 20 5 DCBDHM C[C@H]1CN(c2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2C)CCO1 ZINC001343530802 953351081 /nfs/dbraw/zinc/35/10/81/953351081.db2.gz MJCXMKZYCFZFGU-QMMMGPOBSA-N -1 3 320.309 0.716 20 5 DCBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001343525577 953351916 /nfs/dbraw/zinc/35/19/16/953351916.db2.gz FYJXUMUXGWIKGL-UHFFFAOYSA-N -1 3 315.289 0.871 20 5 DCBDHM COC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001464517213 1015917960 /nfs/dbraw/zinc/91/79/60/1015917960.db2.gz ZRRPQXYRWUVKQS-UHFFFAOYSA-N -1 3 317.323 0.467 20 5 DCBDHM CN1C(=O)CN([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC001558952817 1012395182 /nfs/dbraw/zinc/39/51/82/1012395182.db2.gz OACZAWKPUZNOHM-UHFFFAOYSA-N -1 3 312.669 0.787 20 5 DCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000071270086 293185378 /nfs/dbraw/zinc/18/53/78/293185378.db2.gz UETBTYXUFVHKMF-SECBINFHSA-N -1 3 304.324 0.189 20 5 DCBDHM O=C1NCCC[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330840706 232106733 /nfs/dbraw/zinc/10/67/33/232106733.db2.gz ZMCRFQMVCCVJJP-SNVBAGLBSA-N -1 3 313.335 0.293 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cnnn1C ZINC000288350867 220100578 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)N(C)C ZINC000046033858 395769631 /nfs/dbraw/zinc/76/96/31/395769631.db2.gz DIJVNJNGSHTJHU-UHFFFAOYSA-N -1 3 301.324 0.270 20 5 DCBDHM CCNC(=O)[C@H](C)[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271236405 395849403 /nfs/dbraw/zinc/84/94/03/395849403.db2.gz GSWIOEPSMRVPFH-LURJTMIESA-N -1 3 321.380 0.996 20 5 DCBDHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055236588 395913918 /nfs/dbraw/zinc/91/39/18/395913918.db2.gz HZRWXTJFCVTBME-UHFFFAOYSA-N -1 3 320.298 0.964 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060506391 395962660 /nfs/dbraw/zinc/96/26/60/395962660.db2.gz JJPYQKRSEQQRAR-UHFFFAOYSA-N -1 3 315.351 0.626 20 5 DCBDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000292023992 396525627 /nfs/dbraw/zinc/52/56/27/396525627.db2.gz XKVYHTJPGDRLCT-ZETCQYMHSA-N -1 3 317.323 0.016 20 5 DCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1([C@H](C)O)CC1 ZINC000595360391 396594968 /nfs/dbraw/zinc/59/49/68/396594968.db2.gz ALHFUEIENOPQCT-QMMMGPOBSA-N -1 3 316.335 0.795 20 5 DCBDHM CCc1nn(C)c(N2CCc3c(=O)[n-]cnc3C2)c1[N+](=O)[O-] ZINC000588827842 396694333 /nfs/dbraw/zinc/69/43/33/396694333.db2.gz YCSPOOWNGGTXPP-UHFFFAOYSA-N -1 3 304.310 0.949 20 5 DCBDHM CCNS(=O)(=O)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596182917 396727725 /nfs/dbraw/zinc/72/77/25/396727725.db2.gz UIPDPVGZGKNWJQ-QMMMGPOBSA-N -1 3 316.339 0.213 20 5 DCBDHM COC1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000610573262 396731985 /nfs/dbraw/zinc/73/19/85/396731985.db2.gz RMAIOGAVOMBUIZ-UHFFFAOYSA-N -1 3 324.337 0.536 20 5 DCBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000596235396 396741275 /nfs/dbraw/zinc/74/12/75/396741275.db2.gz BQFCEEHOZUGSLD-YUMQZZPRSA-N -1 3 301.324 0.707 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000590591724 396807545 /nfs/dbraw/zinc/80/75/45/396807545.db2.gz SKUOOAOITOVAHB-ZCFIWIBFSA-N -1 3 305.287 0.194 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1ccc([O-])cc1 ZINC000071955310 415411781 /nfs/dbraw/zinc/41/17/81/415411781.db2.gz YWGIGYBAYLTQCG-UHFFFAOYSA-N -1 3 305.294 0.876 20 5 DCBDHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119832769 415752697 /nfs/dbraw/zinc/75/26/97/415752697.db2.gz HTKJARUCFXNAKC-SECBINFHSA-N -1 3 315.351 0.624 20 5 DCBDHM Cc1nn(C)c(C(=O)NCc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC000345091536 416043111 /nfs/dbraw/zinc/04/31/11/416043111.db2.gz JHCPOWZZQGLMEN-UHFFFAOYSA-N -1 3 306.282 0.371 20 5 DCBDHM CC(=O)NCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337809154 416012093 /nfs/dbraw/zinc/01/20/93/416012093.db2.gz MRDPPURNBWXHDI-UHFFFAOYSA-N -1 3 301.324 0.318 20 5 DCBDHM COC[C@H](O)CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000345505223 416106672 /nfs/dbraw/zinc/10/66/72/416106672.db2.gz LBTWCTNKUIPWLC-SNVBAGLBSA-N -1 3 318.351 0.579 20 5 DCBDHM COCCNCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193362440 416315798 /nfs/dbraw/zinc/31/57/98/416315798.db2.gz QXCUBXWLEWTYNP-UHFFFAOYSA-N -1 3 309.369 0.171 20 5 DCBDHM Cn1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])n1 ZINC000570511355 417361238 /nfs/dbraw/zinc/36/12/38/417361238.db2.gz OUKWUBNBOGDMQL-UHFFFAOYSA-N -1 3 310.335 0.849 20 5 DCBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000427808462 271435396 /nfs/dbraw/zinc/43/53/96/271435396.db2.gz YAKZSFRDJGSERV-UHFFFAOYSA-N -1 3 315.286 0.304 20 5 DCBDHM COC(=O)NCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000496911251 272352776 /nfs/dbraw/zinc/35/27/76/272352776.db2.gz QUXBQCZHADTNAG-UHFFFAOYSA-N -1 3 317.323 0.538 20 5 DCBDHM COC[C@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000280289322 293112507 /nfs/dbraw/zinc/11/25/07/293112507.db2.gz QMRCWJOLIUHLPE-JTQLQIEISA-N -1 3 318.351 0.497 20 5 DCBDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000583201643 337268275 /nfs/dbraw/zinc/26/82/75/337268275.db2.gz JJGZXTQFWHWAAD-NXEZZACHSA-N -1 3 320.298 0.426 20 5 DCBDHM COCC[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736977558 598681701 /nfs/dbraw/zinc/68/17/01/598681701.db2.gz XFMVCAQQUOJXBB-LBPRGKRZSA-N -1 3 323.313 0.369 20 5 DCBDHM COCC[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736977558 598681703 /nfs/dbraw/zinc/68/17/03/598681703.db2.gz XFMVCAQQUOJXBB-LBPRGKRZSA-N -1 3 323.313 0.369 20 5 DCBDHM COC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736968590 598755865 /nfs/dbraw/zinc/75/58/65/598755865.db2.gz RNXQKQCMNYAZNM-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736968590 598755866 /nfs/dbraw/zinc/75/58/66/598755866.db2.gz RNXQKQCMNYAZNM-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821630005 607468330 /nfs/dbraw/zinc/46/83/30/607468330.db2.gz IREWZQNTAMIJSE-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CNC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821630005 607468331 /nfs/dbraw/zinc/46/83/31/607468331.db2.gz IREWZQNTAMIJSE-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM C[C@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824690163 607561047 /nfs/dbraw/zinc/56/10/47/607561047.db2.gz QCOCLWXLDVILOC-DTWKUNHWSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H](O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824690163 607561049 /nfs/dbraw/zinc/56/10/49/607561049.db2.gz QCOCLWXLDVILOC-DTWKUNHWSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H](O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824699958 607738080 /nfs/dbraw/zinc/73/80/80/607738080.db2.gz WFFICCPKMJKGOX-DTWKUNHWSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H](O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824699958 607738081 /nfs/dbraw/zinc/73/80/81/607738081.db2.gz WFFICCPKMJKGOX-DTWKUNHWSA-N -1 3 319.325 0.910 20 5 DCBDHM CCOC(=O)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821315289 606428673 /nfs/dbraw/zinc/42/86/73/606428673.db2.gz RPGVHFIWEKAAGE-ZETCQYMHSA-N -1 3 321.297 0.781 20 5 DCBDHM CCOC(=O)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821315289 606428674 /nfs/dbraw/zinc/42/86/74/606428674.db2.gz RPGVHFIWEKAAGE-ZETCQYMHSA-N -1 3 321.297 0.781 20 5 DCBDHM Cc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[nH]n1 ZINC000822200968 606711038 /nfs/dbraw/zinc/71/10/38/606711038.db2.gz LHSPEFSLBYAVEO-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM Cc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[nH]n1 ZINC000822200968 606711040 /nfs/dbraw/zinc/71/10/40/606711040.db2.gz LHSPEFSLBYAVEO-UHFFFAOYSA-N -1 3 301.270 0.814 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2CCO)c(-c2nnn[n-]2)c1 ZINC000826498749 608077449 /nfs/dbraw/zinc/07/74/49/608077449.db2.gz IGMRRWBSRKUXMN-JTQLQIEISA-N -1 3 320.309 0.363 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2CCO)c(-c2nn[n-]n2)c1 ZINC000826498749 608077450 /nfs/dbraw/zinc/07/74/50/608077450.db2.gz IGMRRWBSRKUXMN-JTQLQIEISA-N -1 3 320.309 0.363 20 5 DCBDHM COC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC000826149616 609312880 /nfs/dbraw/zinc/31/28/80/609312880.db2.gz LFFNMPLZCKBTIF-MRVPVSSYSA-N -1 3 309.286 0.243 20 5 DCBDHM COC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC000826149616 609312882 /nfs/dbraw/zinc/31/28/82/609312882.db2.gz LFFNMPLZCKBTIF-MRVPVSSYSA-N -1 3 309.286 0.243 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824691284 609569204 /nfs/dbraw/zinc/56/92/04/609569204.db2.gz ZAHNFEYYTIDLER-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824691284 609569205 /nfs/dbraw/zinc/56/92/05/609569205.db2.gz ZAHNFEYYTIDLER-IUCAKERBSA-N -1 3 304.310 0.982 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769496893 668650529 /nfs/dbraw/zinc/65/05/29/668650529.db2.gz KOXVFXAXYWTODG-RISCZKNCSA-N -1 3 321.333 0.893 20 5 DCBDHM COc1ccc(NC(=O)COC(=O)c2cnn[n-]2)c([N+](=O)[O-])c1 ZINC000805604248 668895654 /nfs/dbraw/zinc/89/56/54/668895654.db2.gz ATKBLMVPOJMNCV-UHFFFAOYSA-N -1 3 321.249 0.517 20 5 DCBDHM COc1ccc(NC(=O)COC(=O)c2c[n-]nn2)c([N+](=O)[O-])c1 ZINC000805604248 668895655 /nfs/dbraw/zinc/89/56/55/668895655.db2.gz ATKBLMVPOJMNCV-UHFFFAOYSA-N -1 3 321.249 0.517 20 5 DCBDHM Cn1nncc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000788204967 669422507 /nfs/dbraw/zinc/42/25/07/669422507.db2.gz FTVDGOXQQPJARM-UHFFFAOYSA-N -1 3 311.323 0.708 20 5 DCBDHM COC[C@@H](CO)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848591699 670699310 /nfs/dbraw/zinc/69/93/10/670699310.db2.gz URDPHOCLICMFHI-MRVPVSSYSA-N -1 3 320.248 0.690 20 5 DCBDHM O=[N+]([O-])c1ncn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826500685 671490114 /nfs/dbraw/zinc/49/01/14/671490114.db2.gz HZZATFLOPWFKEI-VIFPVBQESA-N -1 3 302.254 0.100 20 5 DCBDHM O=[N+]([O-])c1ncn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826500685 671490115 /nfs/dbraw/zinc/49/01/15/671490115.db2.gz HZZATFLOPWFKEI-VIFPVBQESA-N -1 3 302.254 0.100 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1O ZINC001576365098 1164315948 /nfs/dbraw/zinc/31/59/48/1164315948.db2.gz NYIVDDPJPHNOST-XCBNKYQSSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@@H]1O ZINC001576365098 1164315952 /nfs/dbraw/zinc/31/59/52/1164315952.db2.gz NYIVDDPJPHNOST-XCBNKYQSSA-N -1 3 305.298 0.377 20 5 DCBDHM Cc1[nH]nc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001581403062 1165820862 /nfs/dbraw/zinc/82/08/62/1165820862.db2.gz XFKQZEQKPIAGIQ-UHFFFAOYSA-N -1 3 308.302 0.672 20 5 DCBDHM CC(C)N1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589714527 1166675811 /nfs/dbraw/zinc/67/58/11/1166675811.db2.gz VFKBNRCBVHOWOP-UHFFFAOYSA-N -1 3 318.341 0.700 20 5 DCBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C1CC1 ZINC001589989934 1166738356 /nfs/dbraw/zinc/73/83/56/1166738356.db2.gz GEARQJQEBBXMKP-CYBMUJFWSA-N -1 3 319.325 0.930 20 5 DCBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C1CC1 ZINC001589989934 1166738362 /nfs/dbraw/zinc/73/83/62/1166738362.db2.gz GEARQJQEBBXMKP-CYBMUJFWSA-N -1 3 319.325 0.930 20 5 DCBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCO1 ZINC001590107983 1166775640 /nfs/dbraw/zinc/77/56/40/1166775640.db2.gz LLTNTWPLURKCAK-UHFFFAOYSA-N -1 3 319.325 0.972 20 5 DCBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCO1 ZINC001590107983 1166775645 /nfs/dbraw/zinc/77/56/45/1166775645.db2.gz LLTNTWPLURKCAK-UHFFFAOYSA-N -1 3 319.325 0.972 20 5 DCBDHM CCC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590366335 1166889640 /nfs/dbraw/zinc/88/96/40/1166889640.db2.gz KSPRBUCOOHSFNP-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590366335 1166889643 /nfs/dbraw/zinc/88/96/43/1166889643.db2.gz KSPRBUCOOHSFNP-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CCN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC001590724221 1166984159 /nfs/dbraw/zinc/98/41/59/1166984159.db2.gz DDJNXYZPTVCUTF-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CCN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC001590724221 1166984160 /nfs/dbraw/zinc/98/41/60/1166984160.db2.gz DDJNXYZPTVCUTF-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CCN1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1=O ZINC001590737261 1166996436 /nfs/dbraw/zinc/99/64/36/1166996436.db2.gz IQOCSGZCLXESED-UHFFFAOYSA-N -1 3 303.282 0.401 20 5 DCBDHM CCN1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1=O ZINC001590737261 1166996440 /nfs/dbraw/zinc/99/64/40/1166996440.db2.gz IQOCSGZCLXESED-UHFFFAOYSA-N -1 3 303.282 0.401 20 5 DCBDHM CCn1ncc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001590968495 1167061654 /nfs/dbraw/zinc/06/16/54/1167061654.db2.gz JBXMTDHMDAIZPI-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1ncc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001590968495 1167061664 /nfs/dbraw/zinc/06/16/64/1167061664.db2.gz JBXMTDHMDAIZPI-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CN(C)C(=O)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591000568 1167071310 /nfs/dbraw/zinc/07/13/10/1167071310.db2.gz MESQGDBGFWLIHE-UHFFFAOYSA-N -1 3 323.288 0.804 20 5 DCBDHM CN(C)C(=O)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591000568 1167071320 /nfs/dbraw/zinc/07/13/20/1167071320.db2.gz MESQGDBGFWLIHE-UHFFFAOYSA-N -1 3 323.288 0.804 20 5 DCBDHM CN(CC1(CO)CC1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591053340 1167094822 /nfs/dbraw/zinc/09/48/22/1167094822.db2.gz PSGMZMPADQFWFA-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM CN(CC1(CO)CC1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591053340 1167094825 /nfs/dbraw/zinc/09/48/25/1167094825.db2.gz PSGMZMPADQFWFA-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM CN(CC1(CO)CC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591052873 1167096006 /nfs/dbraw/zinc/09/60/06/1167096006.db2.gz GRMDAJSVVDXTDH-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM COC(=O)COCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591267335 1167188130 /nfs/dbraw/zinc/18/81/30/1167188130.db2.gz FEUIEBPRVUYMQF-UHFFFAOYSA-N -1 3 322.281 0.376 20 5 DCBDHM CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCO1 ZINC001591359996 1167233086 /nfs/dbraw/zinc/23/30/86/1167233086.db2.gz GHVIZXORVFTGHJ-VIFPVBQESA-N -1 3 321.297 0.166 20 5 DCBDHM CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCO1 ZINC001591359996 1167233094 /nfs/dbraw/zinc/23/30/94/1167233094.db2.gz GHVIZXORVFTGHJ-VIFPVBQESA-N -1 3 321.297 0.166 20 5 DCBDHM CO[C@@H]1CCOC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591468065 1167302535 /nfs/dbraw/zinc/30/25/35/1167302535.db2.gz GTOKNSZADQAGJJ-VXGBXAGGSA-N -1 3 320.309 0.991 20 5 DCBDHM CO[C@@H]1CCOC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591468065 1167302537 /nfs/dbraw/zinc/30/25/37/1167302537.db2.gz GTOKNSZADQAGJJ-VXGBXAGGSA-N -1 3 320.309 0.991 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NCc1cncc(-c2nnn[n-]2)c1 ZINC001592588354 1167572587 /nfs/dbraw/zinc/57/25/87/1167572587.db2.gz AIVXBBAQKPMGFE-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NCc1cncc(-c2nn[n-]n2)c1 ZINC001592588354 1167572590 /nfs/dbraw/zinc/57/25/90/1167572590.db2.gz AIVXBBAQKPMGFE-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cncc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592590182 1167574580 /nfs/dbraw/zinc/57/45/80/1167574580.db2.gz OFNKICKSEYPLTA-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cncc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592590182 1167574589 /nfs/dbraw/zinc/57/45/89/1167574589.db2.gz OFNKICKSEYPLTA-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCC2(CO)CC2)c1-c1nnn[n-]1 ZINC001592757549 1167633907 /nfs/dbraw/zinc/63/39/07/1167633907.db2.gz LSUTUUGDXZGHMU-UHFFFAOYSA-N -1 3 319.325 0.932 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCCC2(CO)CC2)c1-c1nn[n-]n1 ZINC001592757549 1167633911 /nfs/dbraw/zinc/63/39/11/1167633911.db2.gz LSUTUUGDXZGHMU-UHFFFAOYSA-N -1 3 319.325 0.932 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@@H](O)C2CC2)c1-c1nnn[n-]1 ZINC001592758489 1167634883 /nfs/dbraw/zinc/63/48/83/1167634883.db2.gz XFIPJLKFKIONTR-SNVBAGLBSA-N -1 3 319.325 0.930 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@@H](O)C2CC2)c1-c1nn[n-]n1 ZINC001592758489 1167634889 /nfs/dbraw/zinc/63/48/89/1167634889.db2.gz XFIPJLKFKIONTR-SNVBAGLBSA-N -1 3 319.325 0.930 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)[C@@H]1CCOC1 ZINC001593467552 1167857385 /nfs/dbraw/zinc/85/73/85/1167857385.db2.gz BPUASNZUSXYXIJ-MWLCHTKSSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)[C@@H]1CCOC1 ZINC001593467552 1167857396 /nfs/dbraw/zinc/85/73/96/1167857396.db2.gz BPUASNZUSXYXIJ-MWLCHTKSSA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@@H](O)C2(CC2)C1 ZINC001593470944 1167861435 /nfs/dbraw/zinc/86/14/35/1167861435.db2.gz RKNCWXCZAZOPGP-SECBINFHSA-N -1 3 303.282 0.131 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@@H](O)C2(CC2)C1 ZINC001593470944 1167861445 /nfs/dbraw/zinc/86/14/45/1167861445.db2.gz RKNCWXCZAZOPGP-SECBINFHSA-N -1 3 303.282 0.131 20 5 DCBDHM CC(C)C(=O)NCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603198803 1169273590 /nfs/dbraw/zinc/27/35/90/1169273590.db2.gz VPJRIAVFBFNCTC-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC(C)C(=O)NCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603198803 1169273598 /nfs/dbraw/zinc/27/35/98/1169273598.db2.gz VPJRIAVFBFNCTC-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC1(C)CNC(=O)[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603789990 1169391093 /nfs/dbraw/zinc/39/10/93/1169391093.db2.gz WWBHDKRUSFTYTR-JTQLQIEISA-N -1 3 317.309 0.711 20 5 DCBDHM CC1(C)CNC(=O)[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603789990 1169391097 /nfs/dbraw/zinc/39/10/97/1169391097.db2.gz WWBHDKRUSFTYTR-JTQLQIEISA-N -1 3 317.309 0.711 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603954351 1169451553 /nfs/dbraw/zinc/45/15/53/1169451553.db2.gz NYAXVDKQAWJTOX-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603954351 1169451556 /nfs/dbraw/zinc/45/15/56/1169451556.db2.gz NYAXVDKQAWJTOX-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111514 1169495324 /nfs/dbraw/zinc/49/53/24/1169495324.db2.gz GCFJRPRWDYXVLP-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111514 1169495327 /nfs/dbraw/zinc/49/53/27/1169495327.db2.gz GCFJRPRWDYXVLP-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001604111755 1169495431 /nfs/dbraw/zinc/49/54/31/1169495431.db2.gz JTWCXHCLXFSBMX-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001604111755 1169495433 /nfs/dbraw/zinc/49/54/33/1169495433.db2.gz JTWCXHCLXFSBMX-VIFPVBQESA-N -1 3 305.298 0.785 20 5 DCBDHM CCN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC001604328694 1169554089 /nfs/dbraw/zinc/55/40/89/1169554089.db2.gz VLJKHQFJRJKEDM-JTQLQIEISA-N -1 3 317.309 0.490 20 5 DCBDHM CCn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nn1 ZINC001604606698 1169628827 /nfs/dbraw/zinc/62/88/27/1169628827.db2.gz WBJUASHIPATABN-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1 ZINC001604606698 1169628832 /nfs/dbraw/zinc/62/88/32/1169628832.db2.gz WBJUASHIPATABN-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM COC(=O)[C@@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604902947 1169736508 /nfs/dbraw/zinc/73/65/08/1169736508.db2.gz RMWZDUJKQPTFIS-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(=O)[C@@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604902947 1169736525 /nfs/dbraw/zinc/73/65/25/1169736525.db2.gz RMWZDUJKQPTFIS-ZETCQYMHSA-N -1 3 306.282 0.996 20 5 DCBDHM COC(OC)[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605013831 1169780264 /nfs/dbraw/zinc/78/02/64/1169780264.db2.gz MNOWMNSBAMUQCW-LURJTMIESA-N -1 3 309.286 0.589 20 5 DCBDHM COC(OC)[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605013831 1169780266 /nfs/dbraw/zinc/78/02/66/1169780266.db2.gz MNOWMNSBAMUQCW-LURJTMIESA-N -1 3 309.286 0.589 20 5 DCBDHM COC(OC)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605013859 1169781147 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DCBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001606837207 1170308644 /nfs/dbraw/zinc/30/86/44/1170308644.db2.gz QYAKKFDFOYBCSV-UHFFFAOYSA-N -1 3 314.265 0.428 20 5 DCBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001606837207 1170308650 /nfs/dbraw/zinc/30/86/50/1170308650.db2.gz QYAKKFDFOYBCSV-UHFFFAOYSA-N -1 3 314.265 0.428 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCn1ccnc1 ZINC001607079983 1170382979 /nfs/dbraw/zinc/38/29/79/1170382979.db2.gz FIWVFQLJTBRWHF-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCn1ccnc1 ZINC001607079983 1170382985 /nfs/dbraw/zinc/38/29/85/1170382985.db2.gz FIWVFQLJTBRWHF-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001607082596 1170384240 /nfs/dbraw/zinc/38/42/40/1170384240.db2.gz RTTDENRXEBYEKR-MBTASHSMSA-N -1 3 306.282 0.071 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001607082596 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COc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000566600204 291314278 /nfs/dbraw/zinc/31/42/78/291314278.db2.gz OHQUKZFUCUNFRV-SECBINFHSA-N -1 3 320.305 0.845 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000431564084 240422310 /nfs/dbraw/zinc/42/23/10/240422310.db2.gz KKHADXRRDFHQJM-UHFFFAOYSA-N -1 3 316.335 0.797 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000347163792 254134689 /nfs/dbraw/zinc/13/46/89/254134689.db2.gz WXMFYRJRUBKYBX-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000347163792 254134690 /nfs/dbraw/zinc/13/46/90/254134690.db2.gz WXMFYRJRUBKYBX-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033645 395769625 /nfs/dbraw/zinc/76/96/25/395769625.db2.gz ZJKZGLLILOIESN-SECBINFHSA-N -1 3 315.351 0.706 20 5 DCBDHM CNC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049154873 395828476 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DCBDHM C[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820643431 606474836 /nfs/dbraw/zinc/47/48/36/606474836.db2.gz WGZYIIBFALRKGN-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820643431 606474838 /nfs/dbraw/zinc/47/48/38/606474838.db2.gz WGZYIIBFALRKGN-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM CCOC(=O)CCN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821330560 607174392 /nfs/dbraw/zinc/17/43/92/607174392.db2.gz NRIWZQPKVQFPLJ-UHFFFAOYSA-N -1 3 321.297 0.559 20 5 DCBDHM CCOC(=O)CCN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821330560 607174393 /nfs/dbraw/zinc/17/43/93/607174393.db2.gz NRIWZQPKVQFPLJ-UHFFFAOYSA-N -1 3 321.297 0.559 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000826391807 608099933 /nfs/dbraw/zinc/09/99/33/608099933.db2.gz BWBGAGKIMBGGRS-MRVPVSSYSA-N -1 3 318.297 0.022 20 5 DCBDHM NC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000826391807 608099934 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DCBDHM C[C@@H](Cn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589903375 1166712730 /nfs/dbraw/zinc/71/27/30/1166712730.db2.gz ANHSHCCCJXGXMQ-ZETCQYMHSA-N -1 3 316.285 0.262 20 5 DCBDHM CC1(C)OC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001590115931 1166779189 /nfs/dbraw/zinc/77/91/89/1166779189.db2.gz YZIQUJXPPRFXHW-MRVPVSSYSA-N -1 3 321.297 0.733 20 5 DCBDHM CC1(C)OC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])O1 ZINC001590115931 1166779198 /nfs/dbraw/zinc/77/91/98/1166779198.db2.gz YZIQUJXPPRFXHW-MRVPVSSYSA-N -1 3 321.297 0.733 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]1(C)CO ZINC001590317482 1166861885 /nfs/dbraw/zinc/86/18/85/1166861885.db2.gz AMPOHDCXQGRBQT-ISVAXAHUSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@]1(C)CO ZINC001590317482 1166861891 /nfs/dbraw/zinc/86/18/91/1166861891.db2.gz AMPOHDCXQGRBQT-ISVAXAHUSA-N -1 3 319.325 0.625 20 5 DCBDHM CCOC(=O)NOCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590767139 1167013654 /nfs/dbraw/zinc/01/36/54/1167013654.db2.gz GKJUVVWQAJYXEC-UHFFFAOYSA-N -1 3 308.254 0.953 20 5 DCBDHM CCOC(=O)NOCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590767139 1167013657 /nfs/dbraw/zinc/01/36/57/1167013657.db2.gz GKJUVVWQAJYXEC-UHFFFAOYSA-N -1 3 308.254 0.953 20 5 DCBDHM CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591211790 1167156711 /nfs/dbraw/zinc/15/67/11/1167156711.db2.gz BAVLHOCFVZTPQT-UHFFFAOYSA-N -1 3 306.286 0.116 20 5 DCBDHM CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591211790 1167156713 /nfs/dbraw/zinc/15/67/13/1167156713.db2.gz BAVLHOCFVZTPQT-UHFFFAOYSA-N -1 3 306.286 0.116 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591254201 1167179400 /nfs/dbraw/zinc/17/94/00/1167179400.db2.gz XEQURVVEAUQCMP-SECBINFHSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591254201 1167179402 /nfs/dbraw/zinc/17/94/02/1167179402.db2.gz XEQURVVEAUQCMP-SECBINFHSA-N -1 3 318.293 0.774 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2COC(=O)C2)c1-c1nnn[n-]1 ZINC001592758629 1167636320 /nfs/dbraw/zinc/63/63/20/1167636320.db2.gz YWSSLTXSBWBHHZ-YFKPBYRVSA-N -1 3 305.254 0.085 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2COC(=O)C2)c1-c1nn[n-]n1 ZINC001592758629 1167636324 /nfs/dbraw/zinc/63/63/24/1167636324.db2.gz YWSSLTXSBWBHHZ-YFKPBYRVSA-N -1 3 305.254 0.085 20 5 DCBDHM O=C(NCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001593093225 1167705525 /nfs/dbraw/zinc/70/55/25/1167705525.db2.gz NVHREBIKQMKDEO-UHFFFAOYSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C(NCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001593093225 1167705532 /nfs/dbraw/zinc/70/55/32/1167705532.db2.gz NVHREBIKQMKDEO-UHFFFAOYSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1csc(-c2nnn[n-]2)c1 ZINC001593212525 1167737476 /nfs/dbraw/zinc/73/74/76/1167737476.db2.gz NGHNTMVBCBTFHI-UHFFFAOYSA-N -1 3 306.267 0.812 20 5 DCBDHM O=[N+]([O-])c1c(NCCc2nnc[nH]2)cccc1-c1nnn[n-]1 ZINC001593468308 1167858411 /nfs/dbraw/zinc/85/84/11/1167858411.db2.gz CQTGLMAWDDMHOS-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1c(NCCc2nnc[nH]2)cccc1-c1nn[n-]n1 ZINC001593468308 1167858426 /nfs/dbraw/zinc/85/84/26/1167858426.db2.gz CQTGLMAWDDMHOS-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H](CO)[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593478236 1167861670 /nfs/dbraw/zinc/86/16/70/1167861670.db2.gz FSBDLSMUBPKERV-PRHODGIISA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H](CO)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593478236 1167861678 /nfs/dbraw/zinc/86/16/78/1167861678.db2.gz FSBDLSMUBPKERV-PRHODGIISA-N -1 3 320.309 0.584 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC[C@H](O)[C@H](F)C1 ZINC001593481590 1167866460 /nfs/dbraw/zinc/86/64/60/1167866460.db2.gz HXQBNCFWBDHQHO-PWSUYJOCSA-N -1 3 322.300 0.680 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC[C@H](O)[C@H](F)C1 ZINC001593481590 1167866472 /nfs/dbraw/zinc/86/64/72/1167866472.db2.gz HXQBNCFWBDHQHO-PWSUYJOCSA-N -1 3 322.300 0.680 20 5 DCBDHM O=C([O-])[C@@H]1C[C@@H](O)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001601768751 1168866315 /nfs/dbraw/zinc/86/63/15/1168866315.db2.gz JUNCOEZMORGTLG-RAIGVLPGSA-N -1 3 310.306 0.396 20 5 DCBDHM O=C([O-])[C@H]1C[C@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001601769483 1168866659 /nfs/dbraw/zinc/86/66/59/1168866659.db2.gz OFQDGULDMJVCKQ-QWRGUYRKSA-N -1 3 310.306 0.741 20 5 DCBDHM CC(=O)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001602931160 1169210623 /nfs/dbraw/zinc/21/06/23/1169210623.db2.gz WNWWSJIXCKLFDV-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CC(=O)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001602931160 1169210629 /nfs/dbraw/zinc/21/06/29/1169210629.db2.gz WNWWSJIXCKLFDV-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CC(C)NC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603337503 1169296374 /nfs/dbraw/zinc/29/63/74/1169296374.db2.gz MQHDZHIRYFZGOL-UHFFFAOYSA-N -1 3 320.313 0.294 20 5 DCBDHM CC(C)NC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603337503 1169296381 /nfs/dbraw/zinc/29/63/81/1169296381.db2.gz MQHDZHIRYFZGOL-UHFFFAOYSA-N -1 3 320.313 0.294 20 5 DCBDHM C[C@@H](C[S@@](C)=O)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603572020 1169326348 /nfs/dbraw/zinc/32/63/48/1169326348.db2.gz LEILFQMAXWLMLF-QSIZCVBASA-N -1 3 324.366 0.978 20 5 DCBDHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cccnc1[N+](=O)[O-] ZINC001604794462 1169686463 /nfs/dbraw/zinc/68/64/63/1169686463.db2.gz LJVUSZSQYNIRRU-NSHDSACASA-N -1 3 308.338 0.971 20 5 DCBDHM COC(=O)NCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604951501 1169760401 /nfs/dbraw/zinc/76/04/01/1169760401.db2.gz WBCBSBOFDXFNAW-UHFFFAOYSA-N -1 3 307.270 0.543 20 5 DCBDHM CS(=O)(=O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605354021 1169902469 /nfs/dbraw/zinc/90/24/69/1169902469.db2.gz HQIFUHAUTOEIGR-UHFFFAOYSA-N -1 3 312.311 0.231 20 5 DCBDHM CS(=O)(=O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605354021 1169902473 /nfs/dbraw/zinc/90/24/73/1169902473.db2.gz HQIFUHAUTOEIGR-UHFFFAOYSA-N -1 3 312.311 0.231 20 5 DCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC001606591787 1170238266 /nfs/dbraw/zinc/23/82/66/1170238266.db2.gz WCYFDDFWVMXRDN-UHFFFAOYSA-N -1 3 313.277 0.783 20 5 DCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC001606591787 1170238269 /nfs/dbraw/zinc/23/82/69/1170238269.db2.gz WCYFDDFWVMXRDN-UHFFFAOYSA-N -1 3 313.277 0.783 20 5 DCBDHM O=C(Cn1ccnc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC001606620566 1170244804 /nfs/dbraw/zinc/24/48/04/1170244804.db2.gz LKLPYJYVOLJZBV-UHFFFAOYSA-N -1 3 320.294 0.672 20 5 DCBDHM O=C(Cn1ccnc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC001606620566 1170244807 /nfs/dbraw/zinc/24/48/07/1170244807.db2.gz LKLPYJYVOLJZBV-UHFFFAOYSA-N -1 3 320.294 0.672 20 5 DCBDHM O=[N+]([O-])c1cc(N(CCO)CC2CC2)ccc1-c1nnn[n-]1 ZINC001607078567 1170382046 /nfs/dbraw/zinc/38/20/46/1170382046.db2.gz HGYNLYQAQYZQPU-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607082048 1170384211 /nfs/dbraw/zinc/38/42/11/1170384211.db2.gz KTEGCTKRRNBEBO-ISVAXAHUSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607082048 1170384213 /nfs/dbraw/zinc/38/42/13/1170384213.db2.gz KTEGCTKRRNBEBO-ISVAXAHUSA-N -1 3 302.294 0.736 20 5 DCBDHM C[S@@](=O)CCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607384797 1170443532 /nfs/dbraw/zinc/44/35/32/1170443532.db2.gz XJZPYNRAQKBDNU-MPBGBICISA-N -1 3 300.336 0.863 20 5 DCBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC001609136351 1170822905 /nfs/dbraw/zinc/82/29/05/1170822905.db2.gz MIYHLNDDMDOLRM-RKDXNWHRSA-N -1 3 321.293 0.842 20 5 DCBDHM CC[S@](=O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609247299 1170895932 /nfs/dbraw/zinc/89/59/32/1170895932.db2.gz DAWJQJYEGUFUKN-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3c(=O)[n-]cnc3C2)n1 ZINC001638537929 1171801032 /nfs/dbraw/zinc/80/10/32/1171801032.db2.gz SMEDNZVIGJNRTB-UHFFFAOYSA-N -1 3 304.266 0.022 20 5 DCBDHM COC(=O)c1ccnc(NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001642282411 1171941231 /nfs/dbraw/zinc/94/12/31/1171941231.db2.gz OUADXFHHDVTOMY-MRVPVSSYSA-N -1 3 321.293 0.700 20 5 DCBDHM Cc1nc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)ncc1[N+](=O)[O-] ZINC001643279001 1171970974 /nfs/dbraw/zinc/97/09/74/1171970974.db2.gz MOIJCLJWBWLKNQ-VIFPVBQESA-N -1 3 317.309 0.880 20 5 DCBDHM Cn1cnnc1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC001661741178 1174154374 /nfs/dbraw/zinc/15/43/74/1174154374.db2.gz FSSQAUFUWWOLBS-UHFFFAOYSA-N -1 3 311.323 0.244 20 5 DCBDHM O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cn[n-]n1 ZINC001059458298 749197899 /nfs/dbraw/zinc/19/78/99/749197899.db2.gz GIHSHVZWGFYYKN-ZKCHVHJHSA-N -1 3 303.282 0.481 20 5 DCBDHM NCc1nc(=O)[n-]n1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001168761000 754595050 /nfs/dbraw/zinc/59/50/50/754595050.db2.gz JYKGXCJAEDFGQW-UHFFFAOYSA-N -1 3 304.188 0.754 20 5 DCBDHM CN(CCNC(=O)c1ccn(C)n1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100124082 760432253 /nfs/dbraw/zinc/43/22/53/760432253.db2.gz SRIDCTTYJGWOSP-UHFFFAOYSA-N -1 3 320.309 0.295 20 5 DCBDHM Cc1ocnc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099977909 763181615 /nfs/dbraw/zinc/18/16/15/763181615.db2.gz OSWXAAADHTZXEJ-UHFFFAOYSA-N -1 3 321.293 0.858 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cn(C)nn1 ZINC001101573310 764168030 /nfs/dbraw/zinc/16/80/30/764168030.db2.gz DZABTMSNKKGZMO-UHFFFAOYSA-N -1 3 321.297 0.008 20 5 DCBDHM Cn1cnc(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001094391835 769026316 /nfs/dbraw/zinc/02/63/16/769026316.db2.gz CPKHBPIJEDNPOY-UHFFFAOYSA-N -1 3 321.297 0.056 20 5 DCBDHM CC(C)(CCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[N+](=O)[O-] ZINC001180027421 771052355 /nfs/dbraw/zinc/05/23/55/771052355.db2.gz JSRAHCVCOQBOQZ-JTQLQIEISA-N -1 3 323.353 0.713 20 5 DCBDHM NC(=O)c1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001164371172 772651462 /nfs/dbraw/zinc/65/14/62/772651462.db2.gz WNTNTGIOHVQVQK-SSDOTTSWSA-N -1 3 306.282 0.013 20 5 DCBDHM COc1nc(NCCCc2c[n-][nH]c2=O)nc(C)c1[N+](=O)[O-] ZINC001164371207 772651488 /nfs/dbraw/zinc/65/14/88/772651488.db2.gz XPWXEZONMNCFBU-QMMMGPOBSA-N -1 3 308.298 0.626 20 5 DCBDHM O=C(c1cc[nH]c1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001056045119 943184127 /nfs/dbraw/zinc/18/41/27/943184127.db2.gz YEZZKVAQSKWGLS-UHFFFAOYSA-N -1 3 317.305 0.986 20 5 DCBDHM O=c1[n-]ccc(N2CCC[C@H](n3cc(CO)nn3)C2)c1[N+](=O)[O-] ZINC001327715765 948604891 /nfs/dbraw/zinc/60/48/91/948604891.db2.gz XYELLSOOVVTLQN-JTQLQIEISA-N -1 3 320.309 0.621 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CNC(=O)C2)c([N+](=O)[O-])s1 ZINC001309583886 960204591 /nfs/dbraw/zinc/20/45/91/960204591.db2.gz LAJCHRZMIQNRSM-SSDOTTSWSA-N -1 3 319.364 0.379 20 5 DCBDHM CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC001469565123 1016345584 /nfs/dbraw/zinc/34/55/84/1016345584.db2.gz OBQDUJCSIRRJQO-UHFFFAOYSA-N -1 3 323.349 0.829 20 5 DCBDHM NC(=O)c1cc(N2CCc3c(nc[n-]c3=O)C2)ccc1[N+](=O)[O-] ZINC001559207261 1012412338 /nfs/dbraw/zinc/41/23/38/1012412338.db2.gz HUDXBJPOGVMKNB-UHFFFAOYSA-N -1 3 315.289 0.752 20 5 DCBDHM COC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000272665861 210072683 /nfs/dbraw/zinc/07/26/83/210072683.db2.gz JCHUYQPTVPPVAE-VIFPVBQESA-N -1 3 322.314 0.674 20 5 DCBDHM O=C([N-]c1cnns1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573305870 291623137 /nfs/dbraw/zinc/62/31/37/291623137.db2.gz SGWIDUBVLDSVLO-UHFFFAOYSA-N -1 3 307.291 0.701 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000087040370 395705356 /nfs/dbraw/zinc/70/53/56/395705356.db2.gz IAKUWESZRHDPLP-UHFFFAOYSA-N -1 3 304.324 0.653 20 5 DCBDHM Cc1ccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332588974 292056771 /nfs/dbraw/zinc/05/67/71/292056771.db2.gz DNWYOSIEEDQNQX-LLVKDONJSA-N -1 3 318.289 0.279 20 5 DCBDHM CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000048671184 395822241 /nfs/dbraw/zinc/82/22/41/395822241.db2.gz CJKKBEOXCNCKAK-UHFFFAOYSA-N -1 3 304.324 0.918 20 5 DCBDHM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195477221 395828663 /nfs/dbraw/zinc/82/86/63/395828663.db2.gz PZJVQOLTLSTNPG-LDYMZIIASA-N -1 3 313.335 0.398 20 5 DCBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000047331340 395790494 /nfs/dbraw/zinc/79/04/94/395790494.db2.gz IFYVTGAAPXHATK-QMMMGPOBSA-N -1 3 311.323 0.763 20 5 DCBDHM COc1ccc(S(=O)(=O)[N-]CCCCO)c([N+](=O)[O-])c1 ZINC000234885320 395891292 /nfs/dbraw/zinc/89/12/92/395891292.db2.gz HTDXEYPKXOYQNG-UHFFFAOYSA-N -1 3 304.324 0.654 20 5 DCBDHM CN(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055217888 395914008 /nfs/dbraw/zinc/91/40/08/395914008.db2.gz DJUHSVLDCXNLRI-UHFFFAOYSA-N -1 3 305.287 0.100 20 5 DCBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055214257 395914179 /nfs/dbraw/zinc/91/41/79/395914179.db2.gz VDVTZPGERHZSIH-ZETCQYMHSA-N -1 3 319.314 0.537 20 5 DCBDHM CCCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055217958 395914421 /nfs/dbraw/zinc/91/44/21/395914421.db2.gz SXVKECQTPFCJOH-UHFFFAOYSA-N -1 3 319.314 0.538 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOCCO ZINC000227614127 395869346 /nfs/dbraw/zinc/86/93/46/395869346.db2.gz MYAOCOGXIOMYPY-UHFFFAOYSA-N -1 3 318.351 0.581 20 5 DCBDHM CCC(=O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000274362399 395942309 /nfs/dbraw/zinc/94/23/09/395942309.db2.gz NSOOTGBUWGAAFH-UHFFFAOYSA-N -1 3 302.308 0.861 20 5 DCBDHM CN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000136155322 395944839 /nfs/dbraw/zinc/94/48/39/395944839.db2.gz DHKQVRIBMAKOBO-UHFFFAOYSA-N -1 3 322.365 0.668 20 5 DCBDHM COC[C@](C)(O)CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000069912208 396094820 /nfs/dbraw/zinc/09/48/20/396094820.db2.gz JAFQPCYKLLUBAP-CYBMUJFWSA-N -1 3 300.311 0.796 20 5 DCBDHM COCCN1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614020 396077794 /nfs/dbraw/zinc/07/77/94/396077794.db2.gz 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0.708 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000345534887 416110278 /nfs/dbraw/zinc/11/02/78/416110278.db2.gz HKEGWZGSHMUIMH-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC000345534887 416110285 /nfs/dbraw/zinc/11/02/85/416110285.db2.gz HKEGWZGSHMUIMH-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000345534887 416110290 /nfs/dbraw/zinc/11/02/90/416110290.db2.gz HKEGWZGSHMUIMH-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM O=C(Nc1nnc2n1CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193893641 416319831 /nfs/dbraw/zinc/31/98/31/416319831.db2.gz VESLJNKUAGTROB-UHFFFAOYSA-N -1 3 304.266 0.876 20 5 DCBDHM CN(C)CC[C@](C)(O)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436921560 416575198 /nfs/dbraw/zinc/57/51/98/416575198.db2.gz VVXGXPIOZKLHOV-AWEZNQCLSA-N -1 3 311.338 0.733 20 5 DCBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000542801607 416632390 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Nc1nccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1[N+](=O)[O-] ZINC000569116275 417216714 /nfs/dbraw/zinc/21/67/14/417216714.db2.gz FMDOYYGRXZMEAG-VIFPVBQESA-N -1 3 318.293 0.821 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000451960797 417423401 /nfs/dbraw/zinc/42/34/01/417423401.db2.gz FMQMJCQJOBBBNJ-HTRCEHHLSA-N -1 3 308.337 0.003 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CNC(=O)C2)cc1C ZINC000444192806 287418326 /nfs/dbraw/zinc/41/83/26/287418326.db2.gz KKFHOTKDAVSWMQ-SECBINFHSA-N -1 3 313.335 0.378 20 5 DCBDHM O=C(N[C@H](CO)CN1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000298131657 228371793 /nfs/dbraw/zinc/37/17/93/228371793.db2.gz BMEZUZACIVTMBS-LBPRGKRZSA-N -1 3 323.349 0.877 20 5 DCBDHM Cc1ncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000354614654 261245679 /nfs/dbraw/zinc/24/56/79/261245679.db2.gz NDGDJPJKIVTUBQ-UHFFFAOYSA-N -1 3 324.318 0.877 20 5 DCBDHM NC(=O)[N-]C(=O)OCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495269059 272244166 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CN(CC(C)(CO)CO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821595220 607302446 /nfs/dbraw/zinc/30/24/46/607302446.db2.gz PLWHLGVLFCEZBA-UHFFFAOYSA-N -1 3 322.325 0.202 20 5 DCBDHM CN(CCn1cccn1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736813459 598678708 /nfs/dbraw/zinc/67/87/08/598678708.db2.gz BYXUUGAFAUXKKQ-UHFFFAOYSA-N -1 3 315.297 0.503 20 5 DCBDHM CN(CCn1cccn1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736813459 598678710 /nfs/dbraw/zinc/67/87/10/598678710.db2.gz BYXUUGAFAUXKKQ-UHFFFAOYSA-N -1 3 315.297 0.503 20 5 DCBDHM COCC[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736977557 598681829 /nfs/dbraw/zinc/68/18/29/598681829.db2.gz XFMVCAQQUOJXBB-GFCCVEGCSA-N -1 3 323.313 0.369 20 5 DCBDHM COCC[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736977557 598681826 /nfs/dbraw/zinc/68/18/26/598681826.db2.gz XFMVCAQQUOJXBB-GFCCVEGCSA-N -1 3 323.313 0.369 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(-c2nnn[n-]2)c1 ZINC000738369675 598810751 /nfs/dbraw/zinc/81/07/51/598810751.db2.gz LTTFDAHEMNAYIK-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(-c2nn[n-]n2)c1 ZINC000738369675 598810752 /nfs/dbraw/zinc/81/07/52/598810752.db2.gz LTTFDAHEMNAYIK-UHFFFAOYSA-N -1 3 308.323 0.344 20 5 DCBDHM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1O ZINC000825210683 608017747 /nfs/dbraw/zinc/01/77/47/608017747.db2.gz IWMSCEMFOCTSMC-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC000825210683 608017748 /nfs/dbraw/zinc/01/77/48/608017748.db2.gz IWMSCEMFOCTSMC-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826454270 608122613 /nfs/dbraw/zinc/12/26/13/608122613.db2.gz PMLUWOIICVILPX-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826454270 608122614 /nfs/dbraw/zinc/12/26/14/608122614.db2.gz PMLUWOIICVILPX-UHFFFAOYSA-N -1 3 318.228 0.889 20 5 DCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362671 609505488 /nfs/dbraw/zinc/50/54/88/609505488.db2.gz CRLLNIFKBNJFMJ-UHFFFAOYSA-N -1 3 315.249 0.728 20 5 DCBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cncc(F)c1 ZINC000759168218 668209169 /nfs/dbraw/zinc/20/91/69/668209169.db2.gz NHWAUIUWBXYBNI-UHFFFAOYSA-N -1 3 313.270 0.829 20 5 DCBDHM O=C([N-]N1CCc2ccccc2C1=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000803074773 670235155 /nfs/dbraw/zinc/23/51/55/670235155.db2.gz IBLCDGUHBGZLCG-UHFFFAOYSA-N -1 3 301.262 0.661 20 5 DCBDHM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1=O ZINC000820397437 671198122 /nfs/dbraw/zinc/19/81/22/671198122.db2.gz WCSSMDVKQMXWHF-UHFFFAOYSA-N -1 3 320.309 0.423 20 5 DCBDHM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000821132778 671255785 /nfs/dbraw/zinc/25/57/85/671255785.db2.gz ZVNVBGRGRFQYJV-UHFFFAOYSA-N -1 3 308.341 0.561 20 5 DCBDHM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845827835 672277117 /nfs/dbraw/zinc/27/71/17/672277117.db2.gz NFVJHFCYHJFPAP-ZETCQYMHSA-N -1 3 303.296 0.220 20 5 DCBDHM CS(=O)(=O)c1ccc(C(=O)[N-]OCC(F)F)c([N+](=O)[O-])c1 ZINC001567474970 1159856449 /nfs/dbraw/zinc/85/64/49/1159856449.db2.gz FPIPKDUOIBACAG-UHFFFAOYSA-N -1 3 324.261 0.925 20 5 DCBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001590108631 1166776271 /nfs/dbraw/zinc/77/62/71/1166776271.db2.gz BDFWHWUUDHVSBS-SNVBAGLBSA-N -1 3 319.325 0.767 20 5 DCBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@H]1O ZINC001590108631 1166776278 /nfs/dbraw/zinc/77/62/78/1166776278.db2.gz BDFWHWUUDHVSBS-SNVBAGLBSA-N -1 3 319.325 0.767 20 5 DCBDHM C[C@H]1C(=O)N(C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590163648 1166792926 /nfs/dbraw/zinc/79/29/26/1166792926.db2.gz KRWCGKOCSPSTOF-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@H]1C(=O)N(C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590163648 1166792932 /nfs/dbraw/zinc/79/29/32/1166792932.db2.gz KRWCGKOCSPSTOF-QMMMGPOBSA-N -1 3 317.309 0.442 20 5 DCBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC001590274962 1166834322 /nfs/dbraw/zinc/83/43/22/1166834322.db2.gz TXUUYYOBLUQSHF-PRHODGIISA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCO1 ZINC001590273980 1166836294 /nfs/dbraw/zinc/83/62/94/1166836294.db2.gz DLZCEOKXVVXEES-MRVPVSSYSA-N -1 3 319.325 0.972 20 5 DCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCO1 ZINC001590273980 1166836300 /nfs/dbraw/zinc/83/63/00/1166836300.db2.gz DLZCEOKXVVXEES-MRVPVSSYSA-N -1 3 319.325 0.972 20 5 DCBDHM CCC1(O)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590500123 1166925790 /nfs/dbraw/zinc/92/57/90/1166925790.db2.gz PECJHWHAHBEZTD-UHFFFAOYSA-N -1 3 319.325 0.911 20 5 DCBDHM CCC1(O)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590500123 1166925794 /nfs/dbraw/zinc/92/57/94/1166925794.db2.gz PECJHWHAHBEZTD-UHFFFAOYSA-N -1 3 319.325 0.911 20 5 DCBDHM CCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(N)=O ZINC001590654242 1166963942 /nfs/dbraw/zinc/96/39/42/1166963942.db2.gz VHBNEDQMXUNZJA-JTQLQIEISA-N -1 3 305.298 0.841 20 5 DCBDHM CCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(N)=O ZINC001590654242 1166963945 /nfs/dbraw/zinc/96/39/45/1166963945.db2.gz VHBNEDQMXUNZJA-JTQLQIEISA-N -1 3 305.298 0.841 20 5 DCBDHM CCN(C)C(=O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590676570 1166964967 /nfs/dbraw/zinc/96/49/67/1166964967.db2.gz IAJSKWITIQWBLK-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CCN(C)C(=O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590676570 1166964970 /nfs/dbraw/zinc/96/49/70/1166964970.db2.gz IAJSKWITIQWBLK-UHFFFAOYSA-N -1 3 305.298 0.665 20 5 DCBDHM CCN(CCC(=O)NC)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590691828 1166975897 /nfs/dbraw/zinc/97/58/97/1166975897.db2.gz KQQGWIWBVOTJMY-UHFFFAOYSA-N -1 3 320.313 0.132 20 5 DCBDHM CCN(CCC(=O)NC)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590691828 1166975904 /nfs/dbraw/zinc/97/59/04/1166975904.db2.gz KQQGWIWBVOTJMY-UHFFFAOYSA-N -1 3 320.313 0.132 20 5 DCBDHM CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001591181433 1167132661 /nfs/dbraw/zinc/13/26/61/1167132661.db2.gz XFKSBSOIJKXULH-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001591181433 1167132665 /nfs/dbraw/zinc/13/26/65/1167132665.db2.gz XFKSBSOIJKXULH-SECBINFHSA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC001591192311 1167142386 /nfs/dbraw/zinc/14/23/86/1167142386.db2.gz HAVCUECANGQIKZ-UHFFFAOYSA-N -1 3 318.341 0.700 20 5 DCBDHM CNC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591203880 1167152622 /nfs/dbraw/zinc/15/26/22/1167152622.db2.gz NFQCBDKKFQVUIE-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM COC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591270546 1167191469 /nfs/dbraw/zinc/19/14/69/1167191469.db2.gz ZITCKYWLYSCLGE-LURJTMIESA-N -1 3 321.297 0.721 20 5 DCBDHM COC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591270546 1167191475 /nfs/dbraw/zinc/19/14/75/1167191475.db2.gz ZITCKYWLYSCLGE-LURJTMIESA-N -1 3 321.297 0.721 20 5 DCBDHM COC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591452963 1167292301 /nfs/dbraw/zinc/29/23/01/1167292301.db2.gz YUOOPFURPBWXQR-QMMMGPOBSA-N -1 3 308.298 0.503 20 5 DCBDHM COC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591452963 1167292307 /nfs/dbraw/zinc/29/23/07/1167292307.db2.gz YUOOPFURPBWXQR-QMMMGPOBSA-N -1 3 308.298 0.503 20 5 DCBDHM CON(C)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591465089 1167297492 /nfs/dbraw/zinc/29/74/92/1167297492.db2.gz OWLOKEOIBVCGSP-UHFFFAOYSA-N -1 3 311.277 0.819 20 5 DCBDHM CON(C)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591465089 1167297498 /nfs/dbraw/zinc/29/74/98/1167297498.db2.gz OWLOKEOIBVCGSP-UHFFFAOYSA-N -1 3 311.277 0.819 20 5 DCBDHM CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1OC ZINC001591473013 1167304583 /nfs/dbraw/zinc/30/45/83/1167304583.db2.gz PTGCMCQCFKLCBA-TXEJJXNPSA-N -1 3 320.309 0.625 20 5 DCBDHM CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1OC ZINC001591473013 1167304591 /nfs/dbraw/zinc/30/45/91/1167304591.db2.gz PTGCMCQCFKLCBA-TXEJJXNPSA-N -1 3 320.309 0.625 20 5 DCBDHM Cc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592038584 1167441794 /nfs/dbraw/zinc/44/17/94/1167441794.db2.gz CXCSBCBBJJAZFG-AAADPQRBSA-N -1 3 320.309 0.379 20 5 DCBDHM Cc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592038584 1167441798 /nfs/dbraw/zinc/44/17/98/1167441798.db2.gz CXCSBCBBJJAZFG-AAADPQRBSA-N -1 3 320.309 0.379 20 5 DCBDHM Cc1cc(NCCn2ccnn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050668 1167446470 /nfs/dbraw/zinc/44/64/70/1167446470.db2.gz BEOVMKSSSRZMON-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1cc(NCCn2ccnn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050668 1167446476 /nfs/dbraw/zinc/44/64/76/1167446476.db2.gz BEOVMKSSSRZMON-UHFFFAOYSA-N -1 3 315.297 0.787 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC001592243514 1167477461 /nfs/dbraw/zinc/47/74/61/1167477461.db2.gz BJVSBDSULMHCOK-UHFFFAOYSA-N -1 3 314.265 0.551 20 5 DCBDHM O=C(NOc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001593170139 1167730619 /nfs/dbraw/zinc/73/06/19/1167730619.db2.gz FTYGMVZXGLQMPJ-UHFFFAOYSA-N -1 3 315.249 0.827 20 5 DCBDHM O=C(NOc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001593170139 1167730624 /nfs/dbraw/zinc/73/06/24/1167730624.db2.gz FTYGMVZXGLQMPJ-UHFFFAOYSA-N -1 3 315.249 0.827 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1COc1cccc[n+]1[O-] ZINC001593468700 1167858547 /nfs/dbraw/zinc/85/85/47/1167858547.db2.gz RJVNQWRQTFZPCT-UHFFFAOYSA-N -1 3 314.261 0.987 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1COc1cccc[n+]1[O-] ZINC001593468700 1167858563 /nfs/dbraw/zinc/85/85/63/1167858563.db2.gz RJVNQWRQTFZPCT-UHFFFAOYSA-N -1 3 314.261 0.987 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCC(CO)CC2)c(-c2nnn[n-]2)c1 ZINC001593475392 1167861278 /nfs/dbraw/zinc/86/12/78/1167861278.db2.gz AFUFUDNCUIVGBX-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCC(CO)CC2)c(-c2nn[n-]n2)c1 ZINC001593475392 1167861282 /nfs/dbraw/zinc/86/12/82/1167861282.db2.gz AFUFUDNCUIVGBX-UHFFFAOYSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC[C@H](O)C(F)F)c(-c2nnn[n-]2)c1 ZINC001593485104 1167867944 /nfs/dbraw/zinc/86/79/44/1167867944.db2.gz RNGCHZMZQVXQES-ZETCQYMHSA-N -1 3 315.240 0.598 20 5 DCBDHM O=[N+]([O-])c1cnc(NCC[C@H](O)C(F)F)c(-c2nn[n-]n2)c1 ZINC001593485104 1167867953 /nfs/dbraw/zinc/86/79/53/1167867953.db2.gz RNGCHZMZQVXQES-ZETCQYMHSA-N -1 3 315.240 0.598 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2ncc[nH]2)c(-c2nnn[n-]2)c1 ZINC001593478381 1167869999 /nfs/dbraw/zinc/86/99/99/1167869999.db2.gz GKLXTFICBNMUHL-SNVBAGLBSA-N -1 3 316.281 0.644 20 5 DCBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2ncc[nH]2)c(-c2nn[n-]n2)c1 ZINC001593478381 1167870008 /nfs/dbraw/zinc/87/00/08/1167870008.db2.gz GKLXTFICBNMUHL-SNVBAGLBSA-N -1 3 316.281 0.644 20 5 DCBDHM CC(C)OC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603347914 1169299477 /nfs/dbraw/zinc/29/94/77/1169299477.db2.gz VIXCLZYWVAIUMC-UHFFFAOYSA-N -1 3 319.325 0.971 20 5 DCBDHM CC(C)OC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603347914 1169299487 /nfs/dbraw/zinc/29/94/87/1169299487.db2.gz VIXCLZYWVAIUMC-UHFFFAOYSA-N -1 3 319.325 0.971 20 5 DCBDHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111849 1169495316 /nfs/dbraw/zinc/49/53/16/1169495316.db2.gz LHQBAVGUNLHGMI-KCJUWKMLSA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001604111849 1169495319 /nfs/dbraw/zinc/49/53/19/1169495319.db2.gz LHQBAVGUNLHGMI-KCJUWKMLSA-N -1 3 304.310 0.982 20 5 DCBDHM CCON(C)C(=O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604437746 1169593824 /nfs/dbraw/zinc/59/38/24/1169593824.db2.gz HFDQGLGMRBWLEG-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCON(C)C(=O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604437746 1169593827 /nfs/dbraw/zinc/59/38/27/1169593827.db2.gz HFDQGLGMRBWLEG-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CC[S@](=O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604475996 1169600476 /nfs/dbraw/zinc/60/04/76/1169600476.db2.gz DEBQIWHDCICXEK-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM CC[S@](=O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604475996 1169600485 /nfs/dbraw/zinc/60/04/85/1169600485.db2.gz DEBQIWHDCICXEK-NRFANRHFSA-N -1 3 310.339 0.955 20 5 DCBDHM CN(CCCCCO)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604742100 1169667712 /nfs/dbraw/zinc/66/77/12/1169667712.db2.gz XLRXJSMPFJSPJV-UHFFFAOYSA-N -1 3 307.314 0.769 20 5 DCBDHM CN(CCCCCO)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604742100 1169667716 /nfs/dbraw/zinc/66/77/16/1169667716.db2.gz XLRXJSMPFJSPJV-UHFFFAOYSA-N -1 3 307.314 0.769 20 5 DCBDHM CNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604881871 1169730524 /nfs/dbraw/zinc/73/05/24/1169730524.db2.gz IMLLEVLHAOZKBD-UHFFFAOYSA-N -1 3 305.298 0.266 20 5 DCBDHM CNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604881871 1169730528 /nfs/dbraw/zinc/73/05/28/1169730528.db2.gz IMLLEVLHAOZKBD-UHFFFAOYSA-N -1 3 305.298 0.266 20 5 DCBDHM COC(=O)C[C@@H](O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604930992 1169750990 /nfs/dbraw/zinc/75/09/90/1169750990.db2.gz VUZZHSAZMHYYPQ-MRVPVSSYSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)C[C@@H](O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604930992 1169750993 /nfs/dbraw/zinc/75/09/93/1169750993.db2.gz VUZZHSAZMHYYPQ-MRVPVSSYSA-N -1 3 322.281 0.111 20 5 DCBDHM C[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605445030 1169922900 /nfs/dbraw/zinc/92/29/00/1169922900.db2.gz COYIGVVAVYOSTB-VIFPVBQESA-N -1 3 304.310 0.996 20 5 DCBDHM C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605445030 1169922903 /nfs/dbraw/zinc/92/29/03/1169922903.db2.gz COYIGVVAVYOSTB-VIFPVBQESA-N -1 3 304.310 0.996 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCN1CCOCC1 ZINC001607084488 1170383861 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C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000183189727 416236259 /nfs/dbraw/zinc/23/62/59/416236259.db2.gz HLZCKFPXQKDEJI-CVJBHZAOSA-N -1 3 306.365 0.640 20 5 DCBDHM CNC(=O)Cn1cnc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000358963003 416298714 /nfs/dbraw/zinc/29/87/14/416298714.db2.gz LIVZYJFEZWUJFQ-UHFFFAOYSA-N -1 3 310.295 0.246 20 5 DCBDHM CCn1nc(C)c([N+](=O)[O-])c1[N-]c1cc(C)n(CC(=O)NC)n1 ZINC000359609466 416352133 /nfs/dbraw/zinc/35/21/33/416352133.db2.gz YLSBSMJGUHRKEC-UHFFFAOYSA-N -1 3 321.341 1.114 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n[n-]1 ZINC000546828590 416678752 /nfs/dbraw/zinc/67/87/52/416678752.db2.gz GSJSFLYTCPFKSO-UHFFFAOYSA-N -1 3 320.265 0.724 20 5 DCBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)[n-]n1 ZINC000546828590 416678756 /nfs/dbraw/zinc/67/87/56/416678756.db2.gz GSJSFLYTCPFKSO-UHFFFAOYSA-N -1 3 320.265 0.724 20 5 DCBDHM CN1CC=C(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000544835787 416661989 /nfs/dbraw/zinc/66/19/89/416661989.db2.gz KVJGLOUGJSIZHR-UHFFFAOYSA-N -1 3 312.351 0.530 20 5 DCBDHM COCC(COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451887634 417409200 /nfs/dbraw/zinc/40/92/00/417409200.db2.gz HICYPFWAQOOSMU-UHFFFAOYSA-N -1 3 322.314 0.674 20 5 DCBDHM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451952523 417423006 /nfs/dbraw/zinc/42/30/06/417423006.db2.gz GLFLAXHDMTWWAT-ZETCQYMHSA-N -1 3 319.314 0.537 20 5 DCBDHM O=C(NC[C@@H]1CCCN1CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000452783674 417502676 /nfs/dbraw/zinc/50/26/76/417502676.db2.gz NCNAGTSLHLHZLJ-LBPRGKRZSA-N -1 3 323.349 0.877 20 5 DCBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000456256770 417639953 /nfs/dbraw/zinc/63/99/53/417639953.db2.gz XNJNHRBMDFXFID-AOOOYVTPSA-N -1 3 324.337 0.223 20 5 DCBDHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363832972 262132888 /nfs/dbraw/zinc/13/28/88/262132888.db2.gz PIZMHOCWCUBQIW-NWDGAFQWSA-N -1 3 321.333 0.893 20 5 DCBDHM CC(C)(O)CO[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000294968838 527353440 /nfs/dbraw/zinc/35/34/40/527353440.db2.gz RJCZMGUTOWURCO-UHFFFAOYSA-N -1 3 312.278 0.798 20 5 DCBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C[C@H](C)O ZINC000736142627 598972770 /nfs/dbraw/zinc/97/27/70/598972770.db2.gz FZBWRUUPEZIKPM-SFYZADRCSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C[C@H](C)O ZINC000736142627 598972773 /nfs/dbraw/zinc/97/27/73/598972773.db2.gz FZBWRUUPEZIKPM-SFYZADRCSA-N -1 3 307.314 0.989 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000738369794 598502955 /nfs/dbraw/zinc/50/29/55/598502955.db2.gz OVBPRMRTQAWXQB-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000738369794 598502956 /nfs/dbraw/zinc/50/29/56/598502956.db2.gz OVBPRMRTQAWXQB-VIFPVBQESA-N -1 3 319.325 0.769 20 5 DCBDHM O=[N+]([O-])c1cnn(CCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000823651092 607176007 /nfs/dbraw/zinc/17/60/07/607176007.db2.gz FUWVRVCWDXDKAT-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cnn(CCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000823651092 607176008 /nfs/dbraw/zinc/17/60/08/607176008.db2.gz FUWVRVCWDXDKAT-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM Cc1c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1C ZINC000826236548 607966689 /nfs/dbraw/zinc/96/66/89/607966689.db2.gz QSVHSVOGIUYBBA-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cnn1C ZINC000826236548 607966690 /nfs/dbraw/zinc/96/66/90/607966690.db2.gz QSVHSVOGIUYBBA-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O ZINC000825210772 608017837 /nfs/dbraw/zinc/01/78/37/608017837.db2.gz JAYMWZHLPXCBDU-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O ZINC000825210772 608017838 /nfs/dbraw/zinc/01/78/38/608017838.db2.gz JAYMWZHLPXCBDU-PELKAZGASA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])OCCO1 ZINC000824830815 608551970 /nfs/dbraw/zinc/55/19/70/608551970.db2.gz LTUNYGNAFZHNSO-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])OCCO1 ZINC000824830815 608551968 /nfs/dbraw/zinc/55/19/68/608551968.db2.gz LTUNYGNAFZHNSO-UHFFFAOYSA-N -1 3 306.282 0.950 20 5 DCBDHM Cc1cc(=O)[n-]c(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)n1 ZINC000768464366 668610569 /nfs/dbraw/zinc/61/05/69/668610569.db2.gz PELBTTQLRIMHQD-UHFFFAOYSA-N -1 3 307.222 0.517 20 5 DCBDHM Cc1nnc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001581611410 1165849614 /nfs/dbraw/zinc/84/96/14/1165849614.db2.gz QAGFIFFBPKXLCH-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM Cc1nnc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001581611410 1165849625 /nfs/dbraw/zinc/84/96/25/1165849625.db2.gz QAGFIFFBPKXLCH-UHFFFAOYSA-N -1 3 319.310 0.942 20 5 DCBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001589888580 1166710608 /nfs/dbraw/zinc/71/06/08/1166710608.db2.gz BELRIRNHFIEESD-DTWKUNHWSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001589888580 1166710613 /nfs/dbraw/zinc/71/06/13/1166710613.db2.gz BELRIRNHFIEESD-DTWKUNHWSA-N -1 3 321.293 0.842 20 5 DCBDHM C[C@H](O)C(C)(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589993022 1166740885 /nfs/dbraw/zinc/74/08/85/1166740885.db2.gz IULCKEFBVSZGHH-ZETCQYMHSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@H](O)C(C)(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589993022 1166740890 /nfs/dbraw/zinc/74/08/90/1166740890.db2.gz IULCKEFBVSZGHH-ZETCQYMHSA-N -1 3 307.314 0.989 20 5 DCBDHM C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589996067 1166744022 /nfs/dbraw/zinc/74/40/22/1166744022.db2.gz GITCXAKXOSTVFQ-RQJHMYQMSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589996067 1166744030 /nfs/dbraw/zinc/74/40/30/1166744030.db2.gz GITCXAKXOSTVFQ-RQJHMYQMSA-N -1 3 307.314 0.928 20 5 DCBDHM C[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(=O)N1 ZINC001590315892 1166860360 /nfs/dbraw/zinc/86/03/60/1166860360.db2.gz YTGFODDUDSAWKR-ZCFIWIBFSA-N -1 3 321.272 0.239 20 5 DCBDHM C[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(=O)N1 ZINC001590315892 1166860366 /nfs/dbraw/zinc/86/03/66/1166860366.db2.gz YTGFODDUDSAWKR-ZCFIWIBFSA-N -1 3 321.272 0.239 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)C1O ZINC001590318684 1166862520 /nfs/dbraw/zinc/86/25/20/1166862520.db2.gz VZJBBCLXILSVCJ-HTQZYQBOSA-N -1 3 319.325 0.623 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)C1O ZINC001590318684 1166862528 /nfs/dbraw/zinc/86/25/28/1166862528.db2.gz VZJBBCLXILSVCJ-HTQZYQBOSA-N -1 3 319.325 0.623 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590334586 1166872792 /nfs/dbraw/zinc/87/27/92/1166872792.db2.gz RPNYSCKWXJOXMR-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590334586 1166872796 /nfs/dbraw/zinc/87/27/96/1166872796.db2.gz RPNYSCKWXJOXMR-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590334585 1166873389 /nfs/dbraw/zinc/87/33/89/1166873389.db2.gz RPNYSCKWXJOXMR-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590334585 1166873398 /nfs/dbraw/zinc/87/33/98/1166873398.db2.gz RPNYSCKWXJOXMR-AMIZOPFISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590334587 1166873975 /nfs/dbraw/zinc/87/39/75/1166873975.db2.gz RPNYSCKWXJOXMR-OQPBUACISA-N -1 3 320.309 0.727 20 5 DCBDHM C[C@H]1OCC[C@]1(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590334587 1166873981 /nfs/dbraw/zinc/87/39/81/1166873981.db2.gz RPNYSCKWXJOXMR-OQPBUACISA-N -1 3 320.309 0.727 20 5 DCBDHM CC[C@@H]1C(=O)NCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590499084 1166926157 /nfs/dbraw/zinc/92/61/57/1166926157.db2.gz INOJABMLCLSGRZ-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CCC[C@@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590559245 1166941577 /nfs/dbraw/zinc/94/15/77/1166941577.db2.gz DPMOQZDTRBPVGJ-NWDGAFQWSA-N -1 3 322.325 0.709 20 5 DCBDHM CCC[C@@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590559245 1166941580 /nfs/dbraw/zinc/94/15/80/1166941580.db2.gz DPMOQZDTRBPVGJ-NWDGAFQWSA-N -1 3 322.325 0.709 20 5 DCBDHM CCN(CCC(=O)NC)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590691755 1166978418 /nfs/dbraw/zinc/97/84/18/1166978418.db2.gz FZVOOUDFAHICJV-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCN(CCC(=O)NC)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590691755 1166978424 /nfs/dbraw/zinc/97/84/24/1166978424.db2.gz FZVOOUDFAHICJV-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCn1ncc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001590968547 1167062315 /nfs/dbraw/zinc/06/23/15/1167062315.db2.gz LHIKQFPWIHQBBR-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ncc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001590968547 1167062322 /nfs/dbraw/zinc/06/23/22/1167062322.db2.gz LHIKQFPWIHQBBR-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM COC(=O)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591268348 1167188884 /nfs/dbraw/zinc/18/88/84/1167188884.db2.gz OPPZKVRSAOKEAK-ZCFIWIBFSA-N -1 3 307.270 0.533 20 5 DCBDHM COC(=O)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591268348 1167188888 /nfs/dbraw/zinc/18/88/88/1167188888.db2.gz OPPZKVRSAOKEAK-ZCFIWIBFSA-N -1 3 307.270 0.533 20 5 DCBDHM COC[C@H]1C[C@@H](O)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591453435 1167295051 /nfs/dbraw/zinc/29/50/51/1167295051.db2.gz TWRQJIJRVURRGF-NXEZZACHSA-N -1 3 320.309 0.361 20 5 DCBDHM COC[C@H]1C[C@@H](O)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591453435 1167295056 /nfs/dbraw/zinc/29/50/56/1167295056.db2.gz TWRQJIJRVURRGF-NXEZZACHSA-N -1 3 320.309 0.361 20 5 DCBDHM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591469288 1167302823 /nfs/dbraw/zinc/30/28/23/1167302823.db2.gz OQCLFJDVACLCBK-SSDOTTSWSA-N -1 3 305.298 0.582 20 5 DCBDHM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591469288 1167302829 /nfs/dbraw/zinc/30/28/29/1167302829.db2.gz OQCLFJDVACLCBK-SSDOTTSWSA-N -1 3 305.298 0.582 20 5 DCBDHM Cc1cc(N2CCNC(=O)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592007499 1167434328 /nfs/dbraw/zinc/43/43/28/1167434328.db2.gz SFTHUSHZGIGGRD-UHFFFAOYSA-N -1 3 317.309 0.410 20 5 DCBDHM Cc1cc(N2CCNC(=O)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592007499 1167434332 /nfs/dbraw/zinc/43/43/32/1167434332.db2.gz SFTHUSHZGIGGRD-UHFFFAOYSA-N -1 3 317.309 0.410 20 5 DCBDHM Cc1cc(N[C@H]2CNC(=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592038266 1167442185 /nfs/dbraw/zinc/44/21/85/1167442185.db2.gz AWFYHKXALGCPOR-SSDOTTSWSA-N -1 3 303.282 0.384 20 5 DCBDHM Cc1cc(N[C@H]2CNC(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592038266 1167442189 /nfs/dbraw/zinc/44/21/89/1167442189.db2.gz AWFYHKXALGCPOR-SSDOTTSWSA-N -1 3 303.282 0.384 20 5 DCBDHM O=C(NCc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])o1 ZINC001593133266 1167719118 /nfs/dbraw/zinc/71/91/18/1167719118.db2.gz KHEKICNHIBRSSX-UHFFFAOYSA-N -1 3 315.249 0.693 20 5 DCBDHM O=C(NCc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])o1 ZINC001593133266 1167719123 /nfs/dbraw/zinc/71/91/23/1167719123.db2.gz KHEKICNHIBRSSX-UHFFFAOYSA-N -1 3 315.249 0.693 20 5 DCBDHM O=C1NCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593406975 1167816935 /nfs/dbraw/zinc/81/69/35/1167816935.db2.gz AWMVCLFIWJAQNB-VIFPVBQESA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1NCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593406975 1167816956 /nfs/dbraw/zinc/81/69/56/1167816956.db2.gz AWMVCLFIWJAQNB-VIFPVBQESA-N -1 3 317.309 0.713 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H]2C[C@@]2(CO)C1 ZINC001593469026 1167857049 /nfs/dbraw/zinc/85/70/49/1167857049.db2.gz KDEVMIZSZMVRJC-UHLUBPPHSA-N -1 3 320.284 0.733 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H]2C[C@@]2(CO)C1 ZINC001593469026 1167857057 /nfs/dbraw/zinc/85/70/57/1167857057.db2.gz KDEVMIZSZMVRJC-UHLUBPPHSA-N -1 3 320.284 0.733 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(O)(CO)CC1 ZINC001593475985 1167861574 /nfs/dbraw/zinc/86/15/74/1167861574.db2.gz TWYAUFBIUFBGBB-UHFFFAOYSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(O)(CO)CC1 ZINC001593475985 1167861588 /nfs/dbraw/zinc/86/15/88/1167861588.db2.gz TWYAUFBIUFBGBB-UHFFFAOYSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCn1cccn1 ZINC001593472339 1167862387 /nfs/dbraw/zinc/86/23/87/1167862387.db2.gz ZJGUYYAFQGTQTP-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCn1cccn1 ZINC001593472339 1167862404 /nfs/dbraw/zinc/86/24/04/1167862404.db2.gz ZJGUYYAFQGTQTP-UHFFFAOYSA-N -1 3 301.270 0.479 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001593481587 1167866927 /nfs/dbraw/zinc/86/69/27/1167866927.db2.gz HXQBNCFWBDHQHO-CMPLNLGQSA-N -1 3 322.300 0.680 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001593481587 1167866936 /nfs/dbraw/zinc/86/69/36/1167866936.db2.gz HXQBNCFWBDHQHO-CMPLNLGQSA-N -1 3 322.300 0.680 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H](O)[C@@H]1CCCO1 ZINC001593481657 1167868391 /nfs/dbraw/zinc/86/83/91/1167868391.db2.gz TXBGNGXVWRXYNF-QWRGUYRKSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H](O)[C@@H]1CCCO1 ZINC001593481657 1167868402 /nfs/dbraw/zinc/86/84/02/1167868402.db2.gz TXBGNGXVWRXYNF-QWRGUYRKSA-N -1 3 320.309 0.727 20 5 DCBDHM O=C([O-])[C@@H]1C[C@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001601769482 1168867566 /nfs/dbraw/zinc/86/75/66/1168867566.db2.gz OFQDGULDMJVCKQ-MNOVXSKESA-N -1 3 310.306 0.741 20 5 DCBDHM CC(=O)NCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001602947650 1169218298 /nfs/dbraw/zinc/21/82/98/1169218298.db2.gz PZCXMFGVXCJLHN-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CC(=O)NCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001602947650 1169218302 /nfs/dbraw/zinc/21/83/02/1169218302.db2.gz PZCXMFGVXCJLHN-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM C[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001603911078 1169432167 /nfs/dbraw/zinc/43/21/67/1169432167.db2.gz ZFKDSQZJNYFZHB-XCBNKYQSSA-N -1 3 305.298 0.377 20 5 DCBDHM C[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001603911078 1169432171 /nfs/dbraw/zinc/43/21/71/1169432171.db2.gz ZFKDSQZJNYFZHB-XCBNKYQSSA-N -1 3 305.298 0.377 20 5 DCBDHM CN1CCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001604866469 1169719860 /nfs/dbraw/zinc/71/98/60/1169719860.db2.gz XICAEONFYZNXKZ-UHFFFAOYSA-N -1 3 317.309 0.049 20 5 DCBDHM CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001604866469 1169719865 /nfs/dbraw/zinc/71/98/65/1169719865.db2.gz XICAEONFYZNXKZ-UHFFFAOYSA-N -1 3 317.309 0.049 20 5 DCBDHM CN(C)C(=O)CCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605996725 1170044577 /nfs/dbraw/zinc/04/45/77/1170044577.db2.gz ACLZISPSLSFDAS-CQSZACIVSA-N -1 3 309.322 0.963 20 5 DCBDHM O=[N+]([O-])CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001607076895 1170382678 /nfs/dbraw/zinc/38/26/78/1170382678.db2.gz XIDAJNAYLUYDNF-LBPRGKRZSA-N -1 3 304.310 0.517 20 5 DCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCN1CC=CCC1 ZINC001607076590 1170382947 /nfs/dbraw/zinc/38/29/47/1170382947.db2.gz ALXUBIBBHVSYCI-UHFFFAOYSA-N -1 3 316.325 0.844 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@](O)(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC001607086506 1170384027 /nfs/dbraw/zinc/38/40/27/1170384027.db2.gz MMJRZJFEAIWENF-ZDUSSCGKSA-N -1 3 317.309 0.521 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC[C@@](O)(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC001607086506 1170384034 /nfs/dbraw/zinc/38/40/34/1170384034.db2.gz MMJRZJFEAIWENF-ZDUSSCGKSA-N -1 3 317.309 0.521 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC3(C2)CCCO3)c(-c2nnn[n-]2)c1 ZINC001607086949 1170388048 /nfs/dbraw/zinc/38/80/48/1170388048.db2.gz VOLHWAKDJCIUNO-UHFFFAOYSA-N -1 3 303.282 0.539 20 5 DCBDHM O=[N+]([O-])c1cnc(N2CC3(C2)CCCO3)c(-c2nn[n-]n2)c1 ZINC001607086949 1170388054 /nfs/dbraw/zinc/38/80/54/1170388054.db2.gz VOLHWAKDJCIUNO-UHFFFAOYSA-N -1 3 303.282 0.539 20 5 DCBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CCC(=O)[O-])CC2 ZINC001607711803 1170500077 /nfs/dbraw/zinc/50/00/77/1170500077.db2.gz LHGLKZPTSPBXHB-JTQLQIEISA-N -1 3 307.306 0.984 20 5 DCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001608914920 1170771718 /nfs/dbraw/zinc/77/17/18/1170771718.db2.gz QXZMKDXAQWEUSO-MRVPVSSYSA-N -1 3 308.294 0.255 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](CO)O1 ZINC001609175203 1170844987 /nfs/dbraw/zinc/84/49/87/1170844987.db2.gz JTFNLCAECUMXPM-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](CO)O1 ZINC001609175203 1170844993 /nfs/dbraw/zinc/84/49/93/1170844993.db2.gz JTFNLCAECUMXPM-PSASIEDQSA-N -1 3 320.309 0.361 20 5 DCBDHM CCN1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1=O ZINC001609227493 1170884326 /nfs/dbraw/zinc/88/43/26/1170884326.db2.gz AKKREAHEUQBIQS-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM CCN1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1=O ZINC001609227493 1170884338 /nfs/dbraw/zinc/88/43/38/1170884338.db2.gz AKKREAHEUQBIQS-MRVPVSSYSA-N -1 3 317.309 0.808 20 5 DCBDHM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC001609444535 1170978146 /nfs/dbraw/zinc/97/81/46/1170978146.db2.gz HRIKEJYMLJSMKC-UHFFFAOYSA-N -1 3 315.253 0.454 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609589972 1171033751 /nfs/dbraw/zinc/03/37/51/1171033751.db2.gz LADOHKCMTHIAQF-SSDOTTSWSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C1NCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609589972 1171033759 /nfs/dbraw/zinc/03/37/59/1171033759.db2.gz LADOHKCMTHIAQF-SSDOTTSWSA-N -1 3 318.297 0.108 20 5 DCBDHM O=C1NCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609590134 1171034602 /nfs/dbraw/zinc/03/46/02/1171034602.db2.gz NGILDUOGZHICLB-VIFPVBQESA-N -1 3 303.282 0.465 20 5 DCBDHM O=C1NCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609590134 1171034610 /nfs/dbraw/zinc/03/46/10/1171034610.db2.gz NGILDUOGZHICLB-VIFPVBQESA-N -1 3 303.282 0.465 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC(OC(F)F)C1 ZINC001609600532 1171040835 /nfs/dbraw/zinc/04/08/35/1171040835.db2.gz PEWQPCVULSEYIY-UHFFFAOYSA-N -1 3 313.224 0.598 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC(OC(F)F)C1 ZINC001609600532 1171040843 /nfs/dbraw/zinc/04/08/43/1171040843.db2.gz PEWQPCVULSEYIY-UHFFFAOYSA-N -1 3 313.224 0.598 20 5 DCBDHM COC(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001622559367 1171370583 /nfs/dbraw/zinc/37/05/83/1171370583.db2.gz FJHQWYVGEYUYSY-UHFFFAOYSA-N -1 3 315.307 0.221 20 5 DCBDHM CS(C)(=O)=NS(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC001622091005 1171418876 /nfs/dbraw/zinc/41/88/76/1171418876.db2.gz LJCLZPIYVLKREX-UHFFFAOYSA-N -1 3 321.380 0.699 20 5 DCBDHM COc1c(C(=O)NCCCc2c[n-][nH]c2=O)cccc1[N+](=O)[O-] ZINC001642448488 1171947559 /nfs/dbraw/zinc/94/75/59/1171947559.db2.gz KSAYZMWCPYNTLC-SECBINFHSA-N -1 3 320.305 0.845 20 5 DCBDHM COc1cc(CNCC(=O)NCC2CC2)c([N+](=O)[O-])cc1[O-] ZINC001657680134 1173913790 /nfs/dbraw/zinc/91/37/90/1173913790.db2.gz XSJQIYIZGUEXCT-UHFFFAOYSA-N -1 3 309.322 0.925 20 5 DCBDHM Cc1nc(NCC=CCNC(=O)c2cn[n-]n2)ccc1[N+](=O)[O-] ZINC001107586701 752137254 /nfs/dbraw/zinc/13/72/54/752137254.db2.gz HYBKHUGJNURPBY-IHWYPQMZSA-N -1 3 317.309 0.814 20 5 DCBDHM O=C(N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001059880714 749672732 /nfs/dbraw/zinc/67/27/32/749672732.db2.gz ZTLDFUCIKORKIR-OCAPTIKFSA-N -1 3 303.282 0.481 20 5 DCBDHM NCc1nc(=O)[n-]n1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001168760294 754564956 /nfs/dbraw/zinc/56/49/56/754564956.db2.gz FCTUSXNCKFCINA-UHFFFAOYSA-N -1 3 313.277 0.797 20 5 DCBDHM O=C(c1cocn1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055742695 756898659 /nfs/dbraw/zinc/89/86/59/756898659.db2.gz XTKSUYUEYPZQCP-UHFFFAOYSA-N -1 3 319.277 0.646 20 5 DCBDHM O=C(N[C@H]1C[C@H](CNc2ncccc2[N+](=O)[O-])C1)c1cn[n-]n1 ZINC001068618859 760437329 /nfs/dbraw/zinc/43/73/29/760437329.db2.gz UTARHJDRXGPYRX-KYZUINATSA-N -1 3 317.309 0.728 20 5 DCBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1(O)CCC1 ZINC001101594549 764177654 /nfs/dbraw/zinc/17/76/54/764177654.db2.gz YWULVNFDDDNJJB-UHFFFAOYSA-N -1 3 324.337 0.871 20 5 DCBDHM CCn1cc(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001093535117 768609536 /nfs/dbraw/zinc/60/95/36/768609536.db2.gz PUFBDIVYZFIJLI-UHFFFAOYSA-N -1 3 320.309 0.754 20 5 DCBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnsn1 ZINC001094334772 768995497 /nfs/dbraw/zinc/99/54/97/768995497.db2.gz UXXVDAWFGUZIII-UHFFFAOYSA-N -1 3 324.322 0.779 20 5 DCBDHM O=C([N-]N1CCOC1=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001166864950 772872550 /nfs/dbraw/zinc/87/25/50/772872550.db2.gz ZNRMSQQFQSZUQF-UHFFFAOYSA-N -1 3 317.261 0.878 20 5 DCBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(N)=O ZINC001195387923 773398838 /nfs/dbraw/zinc/39/88/38/773398838.db2.gz VZEQFPHYJOBECM-SNVBAGLBSA-N -1 3 321.380 0.897 20 5 DCBDHM O=C(c1cnon1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055878505 943114594 /nfs/dbraw/zinc/11/45/94/943114594.db2.gz NCMYTTZIAGANLJ-UHFFFAOYSA-N -1 3 320.265 0.041 20 5 DCBDHM C[S@@](=O)CCN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001330648536 950572423 /nfs/dbraw/zinc/57/24/23/950572423.db2.gz JCEVFINGHURKPN-OAQYLSRUSA-N -1 3 314.367 0.196 20 5 DCBDHM O=C([O-])Cc1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC001352857301 955798215 /nfs/dbraw/zinc/79/82/15/955798215.db2.gz LANKTDHEVDURQI-UHFFFAOYSA-N -1 3 323.349 0.726 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001464881464 1015962700 /nfs/dbraw/zinc/96/27/00/1015962700.db2.gz DQWNXGGWYZWQET-SECBINFHSA-N -1 3 319.321 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](c4nnn[n-]4)C3)nc2c1 ZINC001460695627 1012953690 /nfs/dbraw/zinc/95/36/90/1012953690.db2.gz OAXLASVYSAUUJL-MRVPVSSYSA-N -1 3 314.309 0.974 20 5 DCBDHM O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](c4nn[n-]n4)C3)nc2c1 ZINC001460695627 1012953702 /nfs/dbraw/zinc/95/37/02/1012953702.db2.gz OAXLASVYSAUUJL-MRVPVSSYSA-N -1 3 314.309 0.974 20 5 DCBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332636780 235226990 /nfs/dbraw/zinc/22/69/90/235226990.db2.gz QXGWTCGLTTWGFN-SKDRFNHKSA-N -1 3 304.306 0.892 20 5 DCBDHM COc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000566600205 291314445 /nfs/dbraw/zinc/31/44/45/291314445.db2.gz OHQUKZFUCUNFRV-VIFPVBQESA-N -1 3 320.305 0.845 20 5 DCBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000045745331 395765756 /nfs/dbraw/zinc/76/57/56/395765756.db2.gz SKKUZLLSDKGLKK-MRVPVSSYSA-N -1 3 301.324 0.350 20 5 DCBDHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000047958674 395804523 /nfs/dbraw/zinc/80/45/23/395804523.db2.gz XPGHWXNWGXJJJB-MRVPVSSYSA-N -1 3 302.308 0.743 20 5 DCBDHM COC(=O)C1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000270895397 395820691 /nfs/dbraw/zinc/82/06/91/395820691.db2.gz YYFPEEGXVICBPD-UHFFFAOYSA-N -1 3 314.319 0.887 20 5 DCBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000276717325 396023342 /nfs/dbraw/zinc/02/33/42/396023342.db2.gz PLHQBCPATCAQAG-QMMMGPOBSA-N -1 3 311.323 0.763 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(N)=O)C(C)C ZINC000264570146 396291515 /nfs/dbraw/zinc/29/15/15/396291515.db2.gz WXOQTDBRDOBLKJ-SNVBAGLBSA-N -1 3 315.351 0.691 20 5 DCBDHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000269294322 396405398 /nfs/dbraw/zinc/40/53/98/396405398.db2.gz PCPYUMGRNNURHB-ZETCQYMHSA-N -1 3 320.298 0.821 20 5 DCBDHM C[C@H](CO)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594757714 396507409 /nfs/dbraw/zinc/50/74/09/396507409.db2.gz IUOMRMGJOGWBKT-MRVPVSSYSA-N -1 3 311.319 0.802 20 5 DCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000269905028 396454306 /nfs/dbraw/zinc/45/43/06/396454306.db2.gz ZJWYVHYFXGFJJV-LLVKDONJSA-N -1 3 318.376 0.741 20 5 DCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2n[n-]c(=O)s2)c1 ZINC000562290841 396655410 /nfs/dbraw/zinc/65/54/10/396655410.db2.gz PANJIIWTCGZTQX-UHFFFAOYSA-N -1 3 312.263 0.149 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCCF)c(F)c1 ZINC000595409412 396604607 /nfs/dbraw/zinc/60/46/07/396604607.db2.gz PHTHWSAYSJDFMA-UHFFFAOYSA-N -1 3 310.278 0.998 20 5 DCBDHM Nc1cccc([N+](=O)[O-])c1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588876017 396697952 /nfs/dbraw/zinc/69/79/52/396697952.db2.gz PEZMIBQFDHQIRU-UHFFFAOYSA-N -1 3 305.294 0.563 20 5 DCBDHM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596186907 396728618 /nfs/dbraw/zinc/72/86/18/396728618.db2.gz YDGUYPXFJWOHMR-WPRPVWTQSA-N -1 3 310.310 0.743 20 5 DCBDHM COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000299249839 396712876 /nfs/dbraw/zinc/71/28/76/396712876.db2.gz OPAXUHUWPUIXPI-UHFFFAOYSA-N -1 3 324.337 0.536 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(c3c(Cl)cncc3[N+](=O)[O-])C[C@@H]12 ZINC000596186506 396728540 /nfs/dbraw/zinc/72/85/40/396728540.db2.gz JZWZRQAFEZBNES-QMMMGPOBSA-N -1 3 311.685 0.384 20 5 DCBDHM CC[C@H](CNS(C)(=O)=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596250120 396744202 /nfs/dbraw/zinc/74/42/02/396744202.db2.gz OOJCWDDQWOQNCV-SSDOTTSWSA-N -1 3 304.328 0.435 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCn1ccnn1 ZINC000611791121 396930910 /nfs/dbraw/zinc/93/09/10/396930910.db2.gz HEPCFHJMSDPSLF-UHFFFAOYSA-N -1 3 311.323 0.473 20 5 DCBDHM COc1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000611814558 396933106 /nfs/dbraw/zinc/93/31/06/396933106.db2.gz PHZWKMNXKHYBRT-MRVPVSSYSA-N -1 3 322.277 0.530 20 5 DCBDHM CO[C@H]1COC[C@H]1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000591695226 396979909 /nfs/dbraw/zinc/97/99/09/396979909.db2.gz NPLZYCBVCNSWKT-NWDGAFQWSA-N -1 3 316.335 0.428 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000597664204 397050228 /nfs/dbraw/zinc/05/02/28/397050228.db2.gz HRBLDDUAZOFMOP-UHFFFAOYSA-N -1 3 320.305 0.989 20 5 DCBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599937656 397546107 /nfs/dbraw/zinc/54/61/07/397546107.db2.gz HUKAUPDYFIYOPC-WCQYABFASA-N -1 3 321.333 0.582 20 5 DCBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332612026 287145064 /nfs/dbraw/zinc/14/50/64/287145064.db2.gz URKPHWJWWVBPNC-CABZTGNLSA-N -1 3 304.306 0.892 20 5 DCBDHM CN(C)C(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272074628 415275186 /nfs/dbraw/zinc/27/51/86/415275186.db2.gz DHIHQRTWEIBDAT-UHFFFAOYSA-N -1 3 301.249 0.891 20 5 DCBDHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000298227593 415996841 /nfs/dbraw/zinc/99/68/41/415996841.db2.gz WMVRKVBWVIHYMV-CYBMUJFWSA-N -1 3 321.293 0.542 20 5 DCBDHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000344964332 416016738 /nfs/dbraw/zinc/01/67/38/416016738.db2.gz ZZPBJEROQXLUDQ-QMMMGPOBSA-N -1 3 320.298 0.693 20 5 DCBDHM CCc1n[nH]c(C(=O)NCc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC000345988075 416179748 /nfs/dbraw/zinc/17/97/48/416179748.db2.gz HQZQWRUCKNQXHC-UHFFFAOYSA-N -1 3 306.282 0.614 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[S@@](C)=O ZINC000183200811 416238205 /nfs/dbraw/zinc/23/82/05/416238205.db2.gz AQQUXKOYXZPKBD-ZRNGKTOUSA-N -1 3 320.392 0.949 20 5 DCBDHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000436743473 416570130 /nfs/dbraw/zinc/57/01/30/416570130.db2.gz YHWOMPDZEZXYCX-UHFFFAOYSA-N -1 3 319.277 0.183 20 5 DCBDHM Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000558357252 416763847 /nfs/dbraw/zinc/76/38/47/416763847.db2.gz QYZRXDVZRMSBBK-UHFFFAOYSA-N -1 3 305.250 0.747 20 5 DCBDHM CCc1n[nH]c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC000521695720 417026359 /nfs/dbraw/zinc/02/63/59/417026359.db2.gz WKIOITQTDRDEAL-ZETCQYMHSA-N -1 3 308.298 0.122 20 5 DCBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522257377 417056082 /nfs/dbraw/zinc/05/60/82/417056082.db2.gz ADAJUTPJKQYDRC-JTQLQIEISA-N -1 3 320.305 0.845 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000522262306 417059590 /nfs/dbraw/zinc/05/95/90/417059590.db2.gz PJHKZVPEWPVNIK-JTQLQIEISA-N -1 3 305.294 0.540 20 5 DCBDHM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000361904000 261975598 /nfs/dbraw/zinc/97/55/98/261975598.db2.gz YVISPFAVQLJPEJ-JTQLQIEISA-N -1 3 324.337 0.394 20 5 DCBDHM CN(C)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000525835792 272580500 /nfs/dbraw/zinc/58/05/00/272580500.db2.gz XGFUOSADDYZQGN-UHFFFAOYSA-N -1 3 314.367 0.752 20 5 DCBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000179051092 304568999 /nfs/dbraw/zinc/56/89/99/304568999.db2.gz NBWWRTARELXRHU-UHFFFAOYSA-N -1 3 300.274 0.877 20 5 DCBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000332612027 534094316 /nfs/dbraw/zinc/09/43/16/534094316.db2.gz URKPHWJWWVBPNC-JOYOIKCWSA-N -1 3 304.306 0.892 20 5 DCBDHM C[C@H](CN1CCN(C)CC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188434977 524344678 /nfs/dbraw/zinc/34/46/78/524344678.db2.gz AZLCQHKLROIXLX-SNVBAGLBSA-N -1 3 323.353 0.061 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000296219535 529196906 /nfs/dbraw/zinc/19/69/06/529196906.db2.gz NUKGOBIYOTVTIB-MRVPVSSYSA-N -1 3 317.323 0.146 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CCO)C2)c(-c2nnn[n-]2)c1 ZINC000823640078 599037712 /nfs/dbraw/zinc/03/77/12/599037712.db2.gz REBTVWCTLNYIJH-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CCO)C2)c(-c2nn[n-]n2)c1 ZINC000823640078 599037714 /nfs/dbraw/zinc/03/77/14/599037714.db2.gz REBTVWCTLNYIJH-SECBINFHSA-N -1 3 304.310 0.984 20 5 DCBDHM CN(Cc1cnccn1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736829397 599268642 /nfs/dbraw/zinc/26/86/42/599268642.db2.gz BSEKXDPGWIXYDC-UHFFFAOYSA-N -1 3 313.281 0.596 20 5 DCBDHM CN(Cc1cnccn1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736829397 599268644 /nfs/dbraw/zinc/26/86/44/599268644.db2.gz BSEKXDPGWIXYDC-UHFFFAOYSA-N -1 3 313.281 0.596 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000736293038 599313430 /nfs/dbraw/zinc/31/34/30/599313430.db2.gz MZSSYSGGIMLZDK-HTQZYQBOSA-N -1 3 305.298 0.784 20 5 DCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000736293038 599313433 /nfs/dbraw/zinc/31/34/33/599313433.db2.gz MZSSYSGGIMLZDK-HTQZYQBOSA-N -1 3 305.298 0.784 20 5 DCBDHM CCCCN(CC(N)=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821060328 607344601 /nfs/dbraw/zinc/34/46/01/607344601.db2.gz ANYLTYUWFULYES-UHFFFAOYSA-N -1 3 319.325 0.867 20 5 DCBDHM CCCCN(CC(N)=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821060328 607344603 /nfs/dbraw/zinc/34/46/03/607344603.db2.gz ANYLTYUWFULYES-UHFFFAOYSA-N -1 3 319.325 0.867 20 5 DCBDHM Cn1cc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000737603282 598499525 /nfs/dbraw/zinc/49/95/25/598499525.db2.gz XNINUKRWUZHCHC-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM Cn1cc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000737603282 598499527 /nfs/dbraw/zinc/49/95/27/598499527.db2.gz XNINUKRWUZHCHC-UHFFFAOYSA-N -1 3 315.297 0.558 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(O)CCOCC1 ZINC000738357614 598757607 /nfs/dbraw/zinc/75/76/07/598757607.db2.gz GNGLIDUUIYXYCY-UHFFFAOYSA-N -1 3 320.309 0.728 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(O)CCOCC1 ZINC000738357614 598757609 /nfs/dbraw/zinc/75/76/09/598757609.db2.gz GNGLIDUUIYXYCY-UHFFFAOYSA-N -1 3 320.309 0.728 20 5 DCBDHM COC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000821684603 599588026 /nfs/dbraw/zinc/58/80/26/599588026.db2.gz FDEICSSGEFYPDO-JTQLQIEISA-N -1 3 320.309 0.627 20 5 DCBDHM COC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000821684603 599588029 /nfs/dbraw/zinc/58/80/29/599588029.db2.gz FDEICSSGEFYPDO-JTQLQIEISA-N -1 3 320.309 0.627 20 5 DCBDHM CCNC(=O)C1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821284644 606438721 /nfs/dbraw/zinc/43/87/21/606438721.db2.gz GNQMPZWCQCJMBV-UHFFFAOYSA-N -1 3 317.309 0.347 20 5 DCBDHM CCNC(=O)C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821284644 606438723 /nfs/dbraw/zinc/43/87/23/606438723.db2.gz GNQMPZWCQCJMBV-UHFFFAOYSA-N -1 3 317.309 0.347 20 5 DCBDHM CCN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821276707 607160933 /nfs/dbraw/zinc/16/09/33/607160933.db2.gz MEQOAKBYMZFVSF-UHFFFAOYSA-N -1 3 304.314 0.312 20 5 DCBDHM CCN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821276707 607160935 /nfs/dbraw/zinc/16/09/35/607160935.db2.gz MEQOAKBYMZFVSF-UHFFFAOYSA-N -1 3 304.314 0.312 20 5 DCBDHM COC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC000826149617 609312754 /nfs/dbraw/zinc/31/27/54/609312754.db2.gz LFFNMPLZCKBTIF-QMMMGPOBSA-N -1 3 309.286 0.243 20 5 DCBDHM COC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC000826149617 609312756 /nfs/dbraw/zinc/31/27/56/609312756.db2.gz LFFNMPLZCKBTIF-QMMMGPOBSA-N -1 3 309.286 0.243 20 5 DCBDHM Cc1nonc1C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000751998425 668011227 /nfs/dbraw/zinc/01/12/27/668011227.db2.gz RHRNMGVGLPDELG-UHFFFAOYSA-N -1 3 312.307 0.906 20 5 DCBDHM Nc1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1[N+](=O)[O-] ZINC000762591444 668368766 /nfs/dbraw/zinc/36/87/66/668368766.db2.gz QMQTVVWSWUDWRH-UHFFFAOYSA-N -1 3 324.322 0.632 20 5 DCBDHM CCOc1ccc(C(=O)[N-]n2cnn(CC)c2=O)cc1[N+](=O)[O-] ZINC000854630670 670602420 /nfs/dbraw/zinc/60/24/20/670602420.db2.gz GGXNTAVWEYGOLA-UHFFFAOYSA-N -1 3 321.293 0.756 20 5 DCBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(OC)OC ZINC000849405457 670791256 /nfs/dbraw/zinc/79/12/56/670791256.db2.gz IXDFMMXHHGANPO-SECBINFHSA-N -1 3 319.339 0.666 20 5 DCBDHM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845876428 672279959 /nfs/dbraw/zinc/27/99/59/672279959.db2.gz FMBHVBVPUYXVDE-UHFFFAOYSA-N -1 3 317.323 0.610 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC2CCC2)nc1 ZINC000845884111 672280360 /nfs/dbraw/zinc/28/03/60/672280360.db2.gz AAGRXEODPSGZDT-UHFFFAOYSA-N -1 3 301.324 0.837 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590333538 1166871456 /nfs/dbraw/zinc/87/14/56/1166871456.db2.gz HQWYIRCKGFAMLF-ISVAXAHUSA-N -1 3 320.309 0.727 20 5 DCBDHM CCN1CC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590731315 1166989056 /nfs/dbraw/zinc/98/90/56/1166989056.db2.gz NZFSHEVWPVXNIG-MRVPVSSYSA-N -1 3 304.314 0.676 20 5 DCBDHM CCn1cc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])nn1 ZINC001590954205 1167058373 /nfs/dbraw/zinc/05/83/73/1167058373.db2.gz PBSXJHWGSNSBMN-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CCn1cc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])nn1 ZINC001590954205 1167058380 /nfs/dbraw/zinc/05/83/80/1167058380.db2.gz PBSXJHWGSNSBMN-UHFFFAOYSA-N -1 3 316.285 0.393 20 5 DCBDHM CN(CC1=CCCOC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591050250 1167094240 /nfs/dbraw/zinc/09/42/40/1167094240.db2.gz FDZTWSIIMHSNPI-UHFFFAOYSA-N -1 3 317.309 0.953 20 5 DCBDHM CN(CC1=CCCOC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591050250 1167094243 /nfs/dbraw/zinc/09/42/43/1167094243.db2.gz FDZTWSIIMHSNPI-UHFFFAOYSA-N -1 3 317.309 0.953 20 5 DCBDHM COC(=O)C1(C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591244448 1167171745 /nfs/dbraw/zinc/17/17/45/1167171745.db2.gz SWUFCPVZPCSGCD-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM COC(=O)C1(C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001591244448 1167171747 /nfs/dbraw/zinc/17/17/47/1167171747.db2.gz SWUFCPVZPCSGCD-UHFFFAOYSA-N -1 3 318.293 0.774 20 5 DCBDHM Cc1cc(NCc2cnnn2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053531 1167447203 /nfs/dbraw/zinc/44/72/03/1167447203.db2.gz HUXCGQYGXGPWTH-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1cc(NCc2cnnn2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053531 1167447206 /nfs/dbraw/zinc/44/72/06/1167447206.db2.gz HUXCGQYGXGPWTH-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cn1ncnc1Sc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592608296 1167580677 /nfs/dbraw/zinc/58/06/77/1167580677.db2.gz WWWFRGUWAHRMGG-UHFFFAOYSA-N -1 3 305.283 0.450 20 5 DCBDHM Cn1ncnc1Sc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592608296 1167580683 /nfs/dbraw/zinc/58/06/83/1167580683.db2.gz WWWFRGUWAHRMGG-UHFFFAOYSA-N -1 3 305.283 0.450 20 5 DCBDHM NC(=O)CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001592725003 1167613711 /nfs/dbraw/zinc/61/37/11/1167613711.db2.gz YPUXFZURSQMPII-UHFFFAOYSA-N -1 3 317.309 0.842 20 5 DCBDHM NC(=O)CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001592725003 1167613715 /nfs/dbraw/zinc/61/37/15/1167613715.db2.gz YPUXFZURSQMPII-UHFFFAOYSA-N -1 3 317.309 0.842 20 5 DCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001592753216 1167632036 /nfs/dbraw/zinc/63/20/36/1167632036.db2.gz TVVOVDQBEYKVRB-UHFFFAOYSA-N -1 3 318.228 0.381 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H](CO)CCF)c1-c1nnn[n-]1 ZINC001592757477 1167632593 /nfs/dbraw/zinc/63/25/93/1167632593.db2.gz KKPXWISNTKKPOW-ZCFIWIBFSA-N -1 3 311.277 0.490 20 5 DCBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H](CO)CCF)c1-c1nn[n-]n1 ZINC001592757477 1167632598 /nfs/dbraw/zinc/63/25/98/1167632598.db2.gz KKPXWISNTKKPOW-ZCFIWIBFSA-N -1 3 311.277 0.490 20 5 DCBDHM O=C1OC[C@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC001593413558 1167825145 /nfs/dbraw/zinc/82/51/45/1167825145.db2.gz TUPOMXIAILQEPD-GMSGAONNSA-N -1 3 316.277 0.384 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1Cc2cncnc2C1 ZINC001593470428 1167857330 /nfs/dbraw/zinc/85/73/30/1167857330.db2.gz MXIVSDMBDRVUMW-UHFFFAOYSA-N -1 3 311.265 0.480 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1Cc2cncnc2C1 ZINC001593470428 1167857340 /nfs/dbraw/zinc/85/73/40/1167857340.db2.gz MXIVSDMBDRVUMW-UHFFFAOYSA-N -1 3 311.265 0.480 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOCCCO ZINC001593469942 1167857761 /nfs/dbraw/zinc/85/77/61/1167857761.db2.gz DUHNHLFXDYLLLS-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOCCCO ZINC001593469942 1167857765 /nfs/dbraw/zinc/85/77/65/1167857765.db2.gz DUHNHLFXDYLLLS-UHFFFAOYSA-N -1 3 308.298 0.586 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCOCC(F)F ZINC001593470029 1167858095 /nfs/dbraw/zinc/85/80/95/1167858095.db2.gz CUWYQRWMBPKCAN-UHFFFAOYSA-N -1 3 315.240 0.864 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCOCC(F)F ZINC001593470029 1167858098 /nfs/dbraw/zinc/85/80/98/1167858098.db2.gz CUWYQRWMBPKCAN-UHFFFAOYSA-N -1 3 315.240 0.864 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H](O)[C@@H]1CCCO1 ZINC001593476054 1167860432 /nfs/dbraw/zinc/86/04/32/1167860432.db2.gz UGRHGUWXLQSJCL-RYUDHWBXSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H](O)[C@@H]1CCCO1 ZINC001593476054 1167860443 /nfs/dbraw/zinc/86/04/43/1167860443.db2.gz UGRHGUWXLQSJCL-RYUDHWBXSA-N -1 3 320.309 0.727 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCO[C@H]1CCOC1 ZINC001593476172 1167860588 /nfs/dbraw/zinc/86/05/88/1167860588.db2.gz YCJIUWDLQJBFKA-JTQLQIEISA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCO[C@H]1CCOC1 ZINC001593476172 1167860593 /nfs/dbraw/zinc/86/05/93/1167860593.db2.gz YCJIUWDLQJBFKA-JTQLQIEISA-N -1 3 320.309 0.992 20 5 DCBDHM O=[N+]([O-])c1cc(NCCCn2ccnn2)ccc1-c1nnn[n-]1 ZINC001593473713 1167860904 /nfs/dbraw/zinc/86/09/04/1167860904.db2.gz KATFUQRJRVRGON-UHFFFAOYSA-N -1 3 315.297 0.869 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476798 1167864729 /nfs/dbraw/zinc/86/47/29/1167864729.db2.gz ZUJBXYRQSJLWAG-LLVKDONJSA-N -1 3 302.294 0.736 20 5 DCBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476798 1167864738 /nfs/dbraw/zinc/86/47/38/1167864738.db2.gz ZUJBXYRQSJLWAG-LLVKDONJSA-N -1 3 302.294 0.736 20 5 DCBDHM CC(=O)NCCN(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602947829 1169219183 /nfs/dbraw/zinc/21/91/83/1169219183.db2.gz VFEMMGNVBFGVQT-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM CC(=O)NCCN(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602947829 1169219185 /nfs/dbraw/zinc/21/91/85/1169219185.db2.gz VFEMMGNVBFGVQT-UHFFFAOYSA-N -1 3 319.325 0.343 20 5 DCBDHM C[C@H](O)C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603696162 1169361479 /nfs/dbraw/zinc/36/14/79/1169361479.db2.gz OUOHLGRIAFAWEF-WCBMZHEXSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H](O)C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603696162 1169361485 /nfs/dbraw/zinc/36/14/85/1169361485.db2.gz OUOHLGRIAFAWEF-WCBMZHEXSA-N -1 3 319.325 0.910 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1CO ZINC001603909932 1169432359 /nfs/dbraw/zinc/43/23/59/1169432359.db2.gz QGGPBDDXNCDZSP-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1CO ZINC001603909932 1169432366 /nfs/dbraw/zinc/43/23/66/1169432366.db2.gz QGGPBDDXNCDZSP-UFBFGSQYSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCC1=O ZINC001603937711 1169443003 /nfs/dbraw/zinc/44/30/03/1169443003.db2.gz ACWKXEZDFMOJNA-ZETCQYMHSA-N -1 3 317.309 0.772 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCC1=O ZINC001603937711 1169443006 /nfs/dbraw/zinc/44/30/06/1169443006.db2.gz ACWKXEZDFMOJNA-ZETCQYMHSA-N -1 3 317.309 0.772 20 5 DCBDHM CN1CCN(CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606240861 1170133048 /nfs/dbraw/zinc/13/30/48/1170133048.db2.gz HAIQGRAXOQZXSZ-UHFFFAOYSA-N -1 3 323.353 0.737 20 5 DCBDHM CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001606245452 1170135177 /nfs/dbraw/zinc/13/51/77/1170135177.db2.gz HVPWFCRTQPBHQH-JTQLQIEISA-N -1 3 322.321 0.146 20 5 DCBDHM Nc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001606452282 1170209565 /nfs/dbraw/zinc/20/95/65/1170209565.db2.gz LSWNFGTXKQNLMJ-UHFFFAOYSA-N -1 3 314.265 0.938 20 5 DCBDHM Nc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001606452282 1170209571 /nfs/dbraw/zinc/20/95/71/1170209571.db2.gz LSWNFGTXKQNLMJ-UHFFFAOYSA-N -1 3 314.265 0.938 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001607078970 1170382280 /nfs/dbraw/zinc/38/22/80/1170382280.db2.gz SSCWNDIYJICORH-QXFUBDJGSA-N -1 3 303.282 0.902 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001607078970 1170382289 /nfs/dbraw/zinc/38/22/89/1170382289.db2.gz SSCWNDIYJICORH-QXFUBDJGSA-N -1 3 303.282 0.902 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@](O)(C2CC2)C1 ZINC001607080964 1170383500 /nfs/dbraw/zinc/38/35/00/1170383500.db2.gz WFRNULAFIULFIF-CYBMUJFWSA-N -1 3 317.309 0.521 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@](O)(C2CC2)C1 ZINC001607080964 1170383506 /nfs/dbraw/zinc/38/35/06/1170383506.db2.gz WFRNULAFIULFIF-CYBMUJFWSA-N -1 3 317.309 0.521 20 5 DCBDHM O=c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]1 ZINC001607090600 1170389173 /nfs/dbraw/zinc/38/91/73/1170389173.db2.gz OJAZGSCHDODQEE-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM O=c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1 ZINC001607090600 1170389176 /nfs/dbraw/zinc/38/91/76/1170389176.db2.gz OJAZGSCHDODQEE-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609116265 1170815695 /nfs/dbraw/zinc/81/56/95/1170815695.db2.gz FRKGAMOYRMOSHQ-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609116265 1170815698 /nfs/dbraw/zinc/81/56/98/1170815698.db2.gz FRKGAMOYRMOSHQ-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM CCNC(=O)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609229248 1170886266 /nfs/dbraw/zinc/88/62/66/1170886266.db2.gz OEBQRNOSYIEEOQ-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM O=C(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)NC1CC1 ZINC001609527682 1171008746 /nfs/dbraw/zinc/00/87/46/1171008746.db2.gz PSRCKPVVERMPTA-UHFFFAOYSA-N -1 3 303.282 0.465 20 5 DCBDHM CN1CCN(CCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610132851 1171168644 /nfs/dbraw/zinc/16/86/44/1171168644.db2.gz ADORGHRHUFPSQA-UHFFFAOYSA-N -1 3 323.353 0.737 20 5 DCBDHM COc1c([O-])ccc(CN2CC(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC001621382618 1171409127 /nfs/dbraw/zinc/40/91/27/1171409127.db2.gz RRUDSCMOBOENKM-UHFFFAOYSA-N -1 3 316.335 0.538 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001628274708 1171522572 /nfs/dbraw/zinc/52/25/72/1171522572.db2.gz OYIRRPSZRDKPMF-SECBINFHSA-N -1 3 308.269 0.976 20 5 DCBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631478 1171575450 /nfs/dbraw/zinc/57/54/50/1171575450.db2.gz JOBOESBOANQGJU-MRVPVSSYSA-N -1 3 305.294 0.419 20 5 DCBDHM Cc1nn(C)c(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC001650950480 1173737056 /nfs/dbraw/zinc/73/70/56/1173737056.db2.gz PPEYIOPKPKPHSR-UHFFFAOYSA-N -1 3 318.293 0.331 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c(F)cc1[N+](=O)[O-] ZINC001662631935 1174226723 /nfs/dbraw/zinc/22/67/23/1174226723.db2.gz DQNYCOLTBJPHGP-SSDOTTSWSA-N -1 3 317.298 0.209 20 5 DCBDHM CNc1c(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cccc1[N+](=O)[O-] ZINC001167404702 747161841 /nfs/dbraw/zinc/16/18/41/747161841.db2.gz DSPDXRIMUVRWDW-SSDOTTSWSA-N -1 3 321.293 0.564 20 5 DCBDHM O=C(CCCF)N[C@@H]1[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001097582048 755683288 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CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1[N+](=O)[O-] ZINC000273538356 395928348 /nfs/dbraw/zinc/92/83/48/395928348.db2.gz SQNSPTABQCKSKY-SSDOTTSWSA-N -1 3 322.329 0.659 20 5 DCBDHM CCCc1n[nH]c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000273538356 395928349 /nfs/dbraw/zinc/92/83/49/395928349.db2.gz SQNSPTABQCKSKY-SSDOTTSWSA-N -1 3 322.329 0.659 20 5 DCBDHM CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000273538356 395928352 /nfs/dbraw/zinc/92/83/52/395928352.db2.gz SQNSPTABQCKSKY-SSDOTTSWSA-N -1 3 322.329 0.659 20 5 DCBDHM Cn1cnc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000069114669 396069984 /nfs/dbraw/zinc/06/99/84/396069984.db2.gz VDQFFIASXWXVLJ-UHFFFAOYSA-N -1 3 310.335 0.849 20 5 DCBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000276674614 396020165 /nfs/dbraw/zinc/02/01/65/396020165.db2.gz KUEZZRZSEWDDKI-MRVPVSSYSA-N -1 3 311.323 0.763 20 5 DCBDHM C[C@H](CN1CCN(C)CC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269293344 396404816 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DCBDHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc([N+](=O)[O-])c1 ZINC000344840394 159229721 /nfs/dbraw/zinc/22/97/21/159229721.db2.gz WFZZVGSBSFCBAL-ZCFIWIBFSA-N -1 3 319.277 0.869 20 5 DCBDHM COC[C@@H](CCO)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357507173 416090554 /nfs/dbraw/zinc/09/05/54/416090554.db2.gz WWHYWSGOQSWVHX-SNVBAGLBSA-N -1 3 308.294 1.454 20 5 DCBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000345504290 416105867 /nfs/dbraw/zinc/10/58/67/416105867.db2.gz JJIZZLWWCQRHCU-UHFFFAOYSA-N -1 3 314.319 0.887 20 5 DCBDHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000313670567 416109376 /nfs/dbraw/zinc/10/93/76/416109376.db2.gz NHKKFDZECYTROP-QMMMGPOBSA-N -1 3 305.331 0.962 20 5 DCBDHM COC(=O)Cc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[n-]1 ZINC000345615272 416124329 /nfs/dbraw/zinc/12/43/29/416124329.db2.gz UQBWWSKHXFYYDD-UHFFFAOYSA-N -1 3 319.277 0.989 20 5 DCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000345615272 416124334 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DCBDHM C[C@@]1(C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)NC(=O)[N-]C1=O ZINC000343346865 279164088 /nfs/dbraw/zinc/16/40/88/279164088.db2.gz IQWCEUFBLKSSLT-SDBXPKJASA-N -1 3 320.309 0.342 20 5 DCBDHM Cc1cnc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c([N+](=O)[O-])c1 ZINC000279024213 292907918 /nfs/dbraw/zinc/90/79/18/292907918.db2.gz HXBKGUHUSBWTSF-CYBMUJFWSA-N -1 3 305.294 0.477 20 5 DCBDHM C[C@H](Cn1cncn1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736100433 598500337 /nfs/dbraw/zinc/50/03/37/598500337.db2.gz YPWYOQWULYMTKC-SSDOTTSWSA-N -1 3 316.285 0.262 20 5 DCBDHM C[C@H](Cn1cncn1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736100433 598500339 /nfs/dbraw/zinc/50/03/39/598500339.db2.gz YPWYOQWULYMTKC-SSDOTTSWSA-N -1 3 316.285 0.262 20 5 DCBDHM COCCOCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821692787 599316651 /nfs/dbraw/zinc/31/66/51/599316651.db2.gz CCCRTSHVZCAFQK-UHFFFAOYSA-N -1 3 323.313 0.635 20 5 DCBDHM COCCOCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821692787 599316653 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CCOC(=O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001578245255 1164963655 /nfs/dbraw/zinc/96/36/55/1164963655.db2.gz JSPQOAMDHVQULG-UHFFFAOYSA-N -1 3 321.297 0.722 20 5 DCBDHM CCOC(=O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001578245255 1164963663 /nfs/dbraw/zinc/96/36/63/1164963663.db2.gz JSPQOAMDHVQULG-UHFFFAOYSA-N -1 3 321.297 0.722 20 5 DCBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(=O)[n-]cn1 ZINC001587374496 1166507287 /nfs/dbraw/zinc/50/72/87/1166507287.db2.gz ZGGYBKKERQTFAG-UHFFFAOYSA-N -1 3 303.278 0.932 20 5 DCBDHM CC(C)(COC(=O)COc1ccccc1-c1nnn[n-]1)[N+](=O)[O-] ZINC001589298851 1166644347 /nfs/dbraw/zinc/64/43/47/1166644347.db2.gz DVSOJQBLVSCVHZ-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM CC(C)(COC(=O)COc1ccccc1-c1nn[n-]n1)[N+](=O)[O-] ZINC001589298851 1166644352 /nfs/dbraw/zinc/64/43/52/1166644352.db2.gz DVSOJQBLVSCVHZ-UHFFFAOYSA-N -1 3 321.293 0.844 20 5 DCBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OCCO ZINC001589292352 1166644841 /nfs/dbraw/zinc/64/48/41/1166644841.db2.gz LESOSBGBSMGGLR-UHFFFAOYSA-N -1 3 323.313 0.369 20 5 DCBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OCCO ZINC001589292352 1166644845 /nfs/dbraw/zinc/64/48/45/1166644845.db2.gz LESOSBGBSMGGLR-UHFFFAOYSA-N -1 3 323.313 0.369 20 5 DCBDHM CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])OCCCO1 ZINC001590136569 1166788295 /nfs/dbraw/zinc/78/82/95/1166788295.db2.gz WDDZIDOWUVPMQR-UHFFFAOYSA-N -1 3 321.297 0.735 20 5 DCBDHM CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])OCCCO1 ZINC001590136569 1166788299 /nfs/dbraw/zinc/78/82/99/1166788299.db2.gz WDDZIDOWUVPMQR-UHFFFAOYSA-N -1 3 321.297 0.735 20 5 DCBDHM C[C@@H]1CN(CCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001590306817 1166851000 /nfs/dbraw/zinc/85/10/00/1166851000.db2.gz APYWDAPHVVUKJS-RKDXNWHRSA-N -1 3 322.329 0.081 20 5 DCBDHM CCON(C)C(=O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590817807 1167030530 /nfs/dbraw/zinc/03/05/30/1167030530.db2.gz KAPQUVXKEOYXAF-UHFFFAOYSA-N -1 3 321.297 0.597 20 5 DCBDHM CCn1ncc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001590968832 1167061574 /nfs/dbraw/zinc/06/15/74/1167061574.db2.gz QPQDGAVDPIHJDK-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1=O ZINC001591180754 1167132749 /nfs/dbraw/zinc/13/27/49/1167132749.db2.gz NTWRBJBVLSPKAU-VIFPVBQESA-N -1 3 303.282 0.418 20 5 DCBDHM CNC(=O)CCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591208041 1167154901 /nfs/dbraw/zinc/15/49/01/1167154901.db2.gz SUQUMSUANASZMU-UHFFFAOYSA-N -1 3 319.325 0.656 20 5 DCBDHM CNC(=O)CCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591208041 1167154904 /nfs/dbraw/zinc/15/49/04/1167154904.db2.gz SUQUMSUANASZMU-UHFFFAOYSA-N -1 3 319.325 0.656 20 5 DCBDHM COC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591277988 1167196750 /nfs/dbraw/zinc/19/67/50/1167196750.db2.gz XPCUHHSMNHGACR-NSHDSACASA-N -1 3 318.293 0.917 20 5 DCBDHM COC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591277988 1167196755 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DCBDHM COC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591370091 1167240826 /nfs/dbraw/zinc/24/08/26/1167240826.db2.gz ASPLWSBUMLFTHT-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM COC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591370091 1167240842 /nfs/dbraw/zinc/24/08/42/1167240842.db2.gz ASPLWSBUMLFTHT-LBPRGKRZSA-N -1 3 308.298 0.584 20 5 DCBDHM Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592000262 1167433170 /nfs/dbraw/zinc/43/31/70/1167433170.db2.gz SVUPVWLVXSBMEY-LKFCYVNXSA-N -1 3 316.321 0.902 20 5 DCBDHM Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592000262 1167433173 /nfs/dbraw/zinc/43/31/73/1167433173.db2.gz SVUPVWLVXSBMEY-LKFCYVNXSA-N -1 3 316.321 0.902 20 5 DCBDHM Cc1cc(Sc2nnnn2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592068165 1167448669 /nfs/dbraw/zinc/44/86/69/1167448669.db2.gz TYYAPAAMCAIIRB-UHFFFAOYSA-N -1 3 319.310 0.758 20 5 DCBDHM Cc1cc(Sc2nnnn2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592068165 1167448674 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20 5 DCBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593291519 1167763457 /nfs/dbraw/zinc/76/34/57/1167763457.db2.gz UZUBTKRDGVZBKK-UHFFFAOYSA-N -1 3 318.253 0.157 20 5 DCBDHM O=C1C[C@@H](CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CN1 ZINC001593386338 1167798078 /nfs/dbraw/zinc/79/80/78/1167798078.db2.gz VCAYXJJJAPFKTJ-MRVPVSSYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C1C[C@@H](CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CN1 ZINC001593386338 1167798088 /nfs/dbraw/zinc/79/80/88/1167798088.db2.gz VCAYXJJJAPFKTJ-MRVPVSSYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1cnc2nccnc21 ZINC001593468300 1167857903 /nfs/dbraw/zinc/85/79/03/1167857903.db2.gz LPKBMGCHRPEMJE-UHFFFAOYSA-N -1 3 323.276 0.963 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1cnc2nccnc21 ZINC001593468300 1167857909 /nfs/dbraw/zinc/85/79/09/1167857909.db2.gz LPKBMGCHRPEMJE-UHFFFAOYSA-N -1 3 323.276 0.963 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCC[C@@H]1O ZINC001593472295 1167862051 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0.535 20 5 DCBDHM COC1(OC)CC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001605021834 1169783469 /nfs/dbraw/zinc/78/34/69/1169783469.db2.gz VDGIIZBUCDCPLI-UHFFFAOYSA-N -1 3 321.297 0.733 20 5 DCBDHM COC1(OC)CC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001605021834 1169783474 /nfs/dbraw/zinc/78/34/74/1169783474.db2.gz VDGIIZBUCDCPLI-UHFFFAOYSA-N -1 3 321.297 0.733 20 5 DCBDHM Cc1cnc(OCc2ncc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC001605980661 1170040595 /nfs/dbraw/zinc/04/05/95/1170040595.db2.gz NGBNXQUQBHYTEE-UHFFFAOYSA-N -1 3 314.265 0.847 20 5 DCBDHM Cc1cnc(OCc2ncc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC001605980661 1170040603 /nfs/dbraw/zinc/04/06/03/1170040603.db2.gz NGBNXQUQBHYTEE-UHFFFAOYSA-N -1 3 314.265 0.847 20 5 DCBDHM NC(=O)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606410690 1170189546 /nfs/dbraw/zinc/18/95/46/1170189546.db2.gz KUQWMBXHEYEPOZ-MRVPVSSYSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606410690 1170189552 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CCn1cnnc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609258283 1170900579 /nfs/dbraw/zinc/90/05/79/1170900579.db2.gz AHAXAPWCFDCNAY-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1cnnc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609258283 1170900586 /nfs/dbraw/zinc/90/05/86/1170900586.db2.gz AHAXAPWCFDCNAY-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ncnc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609260227 1170901043 /nfs/dbraw/zinc/90/10/43/1170901043.db2.gz OPEBVRPRHPENMX-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM CCn1ncnc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609260227 1170901047 /nfs/dbraw/zinc/90/10/47/1170901047.db2.gz OPEBVRPRHPENMX-UHFFFAOYSA-N -1 3 315.297 0.998 20 5 DCBDHM Cc1cc(N2C[C@@H](C)[C@H](O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404807 1170966813 /nfs/dbraw/zinc/96/68/13/1170966813.db2.gz LKZKUEKMEJSTSE-PRHODGIISA-N -1 3 304.310 0.900 20 5 DCBDHM Cc1cc(N2C[C@@H](C)[C@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404807 1170966817 /nfs/dbraw/zinc/96/68/17/1170966817.db2.gz LKZKUEKMEJSTSE-PRHODGIISA-N -1 3 304.310 0.900 20 5 DCBDHM NC(=O)C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609502027 1171002511 /nfs/dbraw/zinc/00/25/11/1171002511.db2.gz AJVWQEXJYZXWON-QMMMGPOBSA-N -1 3 317.309 0.477 20 5 DCBDHM NC(=O)C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609502027 1171002518 /nfs/dbraw/zinc/00/25/18/1171002518.db2.gz AJVWQEXJYZXWON-QMMMGPOBSA-N -1 3 317.309 0.477 20 5 DCBDHM Cc1nn(C)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1[N+](=O)[O-] ZINC001638872108 1171813064 /nfs/dbraw/zinc/81/30/64/1171813064.db2.gz XPDBCHIPXBYBGV-MRVPVSSYSA-N -1 3 320.309 0.695 20 5 DCBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC001640914089 1171897929 /nfs/dbraw/zinc/89/79/29/1171897929.db2.gz MFUKSKQWTZPQBB-ZETCQYMHSA-N -1 3 324.268 0.970 20 5 DCBDHM CCNC(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001655930507 1173830793 /nfs/dbraw/zinc/83/07/93/1173830793.db2.gz KPWCSCIUTKXUSZ-UHFFFAOYSA-N -1 3 307.353 0.379 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccnc2)nc1 ZINC001660624100 1174022183 /nfs/dbraw/zinc/02/21/83/1174022183.db2.gz MCSSTNSWGDZMMP-UHFFFAOYSA-N -1 3 308.319 0.906 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(N)=O)c(F)cc1[N+](=O)[O-] ZINC001662016739 1174175555 /nfs/dbraw/zinc/17/55/55/1174175555.db2.gz UVLKLDJXQDATOH-SSDOTTSWSA-N -1 3 319.314 0.585 20 5 DCBDHM CC(C)(O)CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107143978 751899219 /nfs/dbraw/zinc/89/92/19/751899219.db2.gz YZRYKLANCJZREP-ONEGZZNKSA-N -1 3 324.337 0.941 20 5 DCBDHM CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)c1cn[nH]n1 ZINC001105602366 749900320 /nfs/dbraw/zinc/90/03/20/749900320.db2.gz VJGOJDKVQINOQQ-UHFFFAOYSA-N -1 3 321.297 0.022 20 5 DCBDHM Cc1ncc(C(=O)NCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])[nH]1 ZINC001099966396 758825294 /nfs/dbraw/zinc/82/52/94/758825294.db2.gz SXTVGSFRBVXIKA-UHFFFAOYSA-N -1 3 320.309 0.593 20 5 DCBDHM CN(CCNC(=O)c1cnn(C)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099923320 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DCBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001454181590 1008982039 /nfs/dbraw/zinc/98/20/39/1008982039.db2.gz HZEDKUMGOGITPU-SECBINFHSA-N -1 3 305.294 0.540 20 5 DCBDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC001454285249 1009040420 /nfs/dbraw/zinc/04/04/20/1009040420.db2.gz LZQBTGJKGUNCOM-UHFFFAOYSA-N -1 3 301.262 0.950 20 5 DCBDHM CCC[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561981139 1012481490 /nfs/dbraw/zinc/48/14/90/1012481490.db2.gz OPMSDOMRRSVQHC-SNVBAGLBSA-N -1 3 303.340 0.819 20 5 DCBDHM O=C1NCCC[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330840705 232106971 /nfs/dbraw/zinc/10/69/71/232106971.db2.gz ZMCRFQMVCCVJJP-JTQLQIEISA-N -1 3 313.335 0.293 20 5 DCBDHM COC[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000279888184 215209308 /nfs/dbraw/zinc/20/93/08/215209308.db2.gz FMLJIOLYRTYXHM-VIFPVBQESA-N -1 3 304.249 0.810 20 5 DCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(N)=O)CC2)cc1C ZINC000156667614 291225572 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COC[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000023391395 395692396 /nfs/dbraw/zinc/69/23/96/395692396.db2.gz JYHCYBNUJYCYDP-QMMMGPOBSA-N -1 3 304.324 0.917 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nncn2C)c([N+](=O)[O-])c1 ZINC000101570594 395765738 /nfs/dbraw/zinc/76/57/38/395765738.db2.gz UVVWUILRVHKTPS-UHFFFAOYSA-N -1 3 311.323 0.510 20 5 DCBDHM COCCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055242176 395914864 /nfs/dbraw/zinc/91/48/64/395914864.db2.gz MSQVYQJQBMWVHE-UHFFFAOYSA-N -1 3 322.314 0.675 20 5 DCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCCO ZINC000052925451 395873382 /nfs/dbraw/zinc/87/33/82/395873382.db2.gz WZFYGDXABDEFPJ-UHFFFAOYSA-N -1 3 304.324 0.190 20 5 DCBDHM CCN(CC)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000064402533 395986090 /nfs/dbraw/zinc/98/60/90/395986090.db2.gz KIAFYEBVZGJHMD-UHFFFAOYSA-N -1 3 315.351 0.742 20 5 DCBDHM CCc1[nH]nc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1[N+](=O)[O-] ZINC000277997139 396099434 /nfs/dbraw/zinc/09/94/34/396099434.db2.gz 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/nfs/dbraw/zinc/08/09/00/158080900.db2.gz KTBHAGGIYVLXGC-UHFFFAOYSA-N -1 3 315.286 0.373 20 5 DCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc[nH]n2)c(F)c1 ZINC000080623983 158080904 /nfs/dbraw/zinc/08/09/04/158080904.db2.gz KTBHAGGIYVLXGC-UHFFFAOYSA-N -1 3 315.286 0.373 20 5 DCBDHM CC(C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000025872934 415166255 /nfs/dbraw/zinc/16/62/55/415166255.db2.gz HWIOEUCGMUAMEY-UHFFFAOYSA-N -1 3 315.351 0.645 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000342513742 415197430 /nfs/dbraw/zinc/19/74/30/415197430.db2.gz HLLVEAPEMHJJAG-NSHDSACASA-N -1 3 320.305 0.210 20 5 DCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000158599429 416002379 /nfs/dbraw/zinc/00/23/79/416002379.db2.gz RFICEBXQQCIHAV-UHFFFAOYSA-N -1 3 316.335 0.797 20 5 DCBDHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000298227595 415996452 /nfs/dbraw/zinc/99/64/52/415996452.db2.gz WMVRKVBWVIHYMV-ZDUSSCGKSA-N -1 3 321.293 0.542 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000360417545 416389814 /nfs/dbraw/zinc/38/98/14/416389814.db2.gz TYPYSYWDAHCGNS-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000360417545 416389815 /nfs/dbraw/zinc/38/98/15/416389815.db2.gz TYPYSYWDAHCGNS-UHFFFAOYSA-N -1 3 314.265 0.761 20 5 DCBDHM Nc1ccc(NCCNC(=O)c2ccc([O-])cc2)nc1[N+](=O)[O-] ZINC000590575122 416529759 /nfs/dbraw/zinc/52/97/59/416529759.db2.gz WWSRIVFVMYMBEW-UHFFFAOYSA-N -1 3 317.305 1.120 20 5 DCBDHM Cc1nnc([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])n1C1CC1 ZINC000565206157 416945286 /nfs/dbraw/zinc/94/52/86/416945286.db2.gz VBAVLTATPFGDPB-UHFFFAOYSA-N -1 3 303.282 1.059 20 5 DCBDHM COc1nc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000355860742 261371366 /nfs/dbraw/zinc/37/13/66/261371366.db2.gz GQBYTALFUSUTAK-UHFFFAOYSA-N -1 3 320.265 0.090 20 5 DCBDHM COc1nnc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000355860742 261371368 /nfs/dbraw/zinc/37/13/68/261371368.db2.gz GQBYTALFUSUTAK-UHFFFAOYSA-N -1 3 320.265 0.090 20 5 DCBDHM COc1n[n-]c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000355860742 261371369 /nfs/dbraw/zinc/37/13/69/261371369.db2.gz GQBYTALFUSUTAK-UHFFFAOYSA-N -1 3 320.265 0.090 20 5 DCBDHM O=C1[N-]C(=O)N2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000491830523 272105283 /nfs/dbraw/zinc/10/52/83/272105283.db2.gz DOPZHAOMJZVEDG-NSHDSACASA-N -1 3 324.724 0.984 20 5 DCBDHM Cc1ccc(S(=O)(=O)[N-]CCCCC(N)=O)c([N+](=O)[O-])c1 ZINC000538271549 287876676 /nfs/dbraw/zinc/87/66/76/287876676.db2.gz QYJUWYWIYSCFDM-UHFFFAOYSA-N -1 3 315.351 0.837 20 5 DCBDHM C[S@](=O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116901371 525384744 /nfs/dbraw/zinc/38/47/44/525384744.db2.gz RVMGVIIUWBBXQE-GOSISDBHSA-N -1 3 306.365 0.642 20 5 DCBDHM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228077668 525585177 /nfs/dbraw/zinc/58/51/77/525585177.db2.gz ZKOSSEUVZQXQNQ-JOYOIKCWSA-N -1 3 316.335 0.413 20 5 DCBDHM C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737170195 598896451 /nfs/dbraw/zinc/89/64/51/598896451.db2.gz HQQCEHSFXVCFBN-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737170195 598896454 /nfs/dbraw/zinc/89/64/54/598896454.db2.gz HQQCEHSFXVCFBN-QFIPXVFZSA-N -1 3 320.294 0.093 20 5 DCBDHM COCC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736977635 598682082 /nfs/dbraw/zinc/68/20/82/598682082.db2.gz ZFBXDWIXACLBIB-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM COCC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736977635 598682083 /nfs/dbraw/zinc/68/20/83/598682083.db2.gz ZFBXDWIXACLBIB-CYBMUJFWSA-N -1 3 322.325 0.974 20 5 DCBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000833628846 605189168 /nfs/dbraw/zinc/18/91/68/605189168.db2.gz OXTIGLJUCPCVQQ-LLVKDONJSA-N -1 3 311.342 0.272 20 5 DCBDHM CC[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820966051 606480524 /nfs/dbraw/zinc/48/05/24/606480524.db2.gz BPEDUPSQYIEXAZ-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM CC[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820966051 606480526 /nfs/dbraw/zinc/48/05/26/606480526.db2.gz BPEDUPSQYIEXAZ-SNVBAGLBSA-N -1 3 317.309 0.490 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OCC1(O)CCOCC1 ZINC000826497582 607873635 /nfs/dbraw/zinc/87/36/35/607873635.db2.gz MJHBQFSYQGMTTH-UHFFFAOYSA-N -1 3 321.293 0.695 20 5 DCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OCC1(O)CCOCC1 ZINC000826497582 607873636 /nfs/dbraw/zinc/87/36/36/607873636.db2.gz MJHBQFSYQGMTTH-UHFFFAOYSA-N -1 3 321.293 0.695 20 5 DCBDHM CN1C(=O)CN([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1=O ZINC000776243356 668873893 /nfs/dbraw/zinc/87/38/93/668873893.db2.gz NYIYIVOATLEOKO-UHFFFAOYSA-N -1 3 312.669 0.787 20 5 DCBDHM CCN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821277799 671267892 /nfs/dbraw/zinc/26/78/92/671267892.db2.gz ZJQJJXDIXTYPRI-UHFFFAOYSA-N -1 3 303.326 0.917 20 5 DCBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)OCCCO1 ZINC000845921399 672282560 /nfs/dbraw/zinc/28/25/60/672282560.db2.gz OWOLZFKYKJDZRH-UHFFFAOYSA-N -1 3 317.323 0.421 20 5 DCBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OCCO ZINC001589288243 1166645508 /nfs/dbraw/zinc/64/55/08/1166645508.db2.gz KHGWQCDKEXOGRI-UHFFFAOYSA-N -1 3 322.325 0.974 20 5 DCBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OCCO ZINC001589288243 1166645512 /nfs/dbraw/zinc/64/55/12/1166645512.db2.gz KHGWQCDKEXOGRI-UHFFFAOYSA-N -1 3 322.325 0.974 20 5 DCBDHM CC(C)(O)C1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589328756 1166650436 /nfs/dbraw/zinc/65/04/36/1166650436.db2.gz WNJXZFGSTJJRDV-UHFFFAOYSA-N -1 3 305.298 0.377 20 5 DCBDHM CC(C)(O)C1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589328756 1166650440 /nfs/dbraw/zinc/65/04/40/1166650440.db2.gz WNJXZFGSTJJRDV-UHFFFAOYSA-N -1 3 305.298 0.377 20 5 DCBDHM CC(C)CNC(=O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589634457 1166669963 /nfs/dbraw/zinc/66/99/63/1166669963.db2.gz BDRVBPUOKRRHTD-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM CC(C)CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589634457 1166669969 /nfs/dbraw/zinc/66/99/69/1166669969.db2.gz BDRVBPUOKRRHTD-UHFFFAOYSA-N -1 3 319.325 0.959 20 5 DCBDHM C[C@@H](O)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589996999 1166744055 /nfs/dbraw/zinc/74/40/55/1166744055.db2.gz VGSACSUYTYNJJU-PRHODGIISA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H](O)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589996999 1166744060 /nfs/dbraw/zinc/74/40/60/1166744060.db2.gz VGSACSUYTYNJJU-PRHODGIISA-N -1 3 320.309 0.361 20 5 DCBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590105610 1166774982 /nfs/dbraw/zinc/77/49/82/1166774982.db2.gz DOEXATBRQAOROZ-LLVKDONJSA-N -1 3 304.310 0.982 20 5 DCBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590105610 1166774986 /nfs/dbraw/zinc/77/49/86/1166774986.db2.gz DOEXATBRQAOROZ-LLVKDONJSA-N -1 3 304.310 0.982 20 5 DCBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1CO ZINC001590276346 1166838620 /nfs/dbraw/zinc/83/86/20/1166838620.db2.gz KMIGOGOMDDBBLT-BDAKNGLRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1CO ZINC001590276346 1166838622 /nfs/dbraw/zinc/83/86/22/1166838622.db2.gz KMIGOGOMDDBBLT-BDAKNGLRSA-N -1 3 319.325 0.625 20 5 DCBDHM C[C@@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001590310465 1166855446 /nfs/dbraw/zinc/85/54/46/1166855446.db2.gz ZMPNHPUZGSMFKV-SECBINFHSA-N -1 3 304.310 0.996 20 5 DCBDHM C[C@@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001590310465 1166855450 /nfs/dbraw/zinc/85/54/50/1166855450.db2.gz ZMPNHPUZGSMFKV-SECBINFHSA-N -1 3 304.310 0.996 20 5 DCBDHM CCN(CCOCCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590715834 1166981404 /nfs/dbraw/zinc/98/14/04/1166981404.db2.gz TZLYHKAGAKCMKF-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM CCN(CCOCCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590715834 1166981410 /nfs/dbraw/zinc/98/14/10/1166981410.db2.gz TZLYHKAGAKCMKF-UHFFFAOYSA-N -1 3 322.325 0.610 20 5 DCBDHM CCNC(=O)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590740480 1166997836 /nfs/dbraw/zinc/99/78/36/1166997836.db2.gz XMYGJBFVDYATJK-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CCNC(=O)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590740480 1166997838 /nfs/dbraw/zinc/99/78/38/1166997838.db2.gz XMYGJBFVDYATJK-UHFFFAOYSA-N -1 3 305.298 0.347 20 5 DCBDHM CCOC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590795947 1167020695 /nfs/dbraw/zinc/02/06/95/1167020695.db2.gz FNOVEQSIYIGQIL-UHFFFAOYSA-N -1 3 305.298 0.582 20 5 DCBDHM CCOC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590795947 1167020700 /nfs/dbraw/zinc/02/07/00/1167020700.db2.gz FNOVEQSIYIGQIL-UHFFFAOYSA-N -1 3 305.298 0.582 20 5 DCBDHM CN(C[C@@H]1COCCO1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591064474 1167097182 /nfs/dbraw/zinc/09/71/82/1167097182.db2.gz QEBSYLBYYOINEZ-SECBINFHSA-N -1 3 320.309 0.627 20 5 DCBDHM CN(C[C@@H]1COCCO1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591064474 1167097183 /nfs/dbraw/zinc/09/71/83/1167097183.db2.gz QEBSYLBYYOINEZ-SECBINFHSA-N -1 3 320.309 0.627 20 5 DCBDHM CN(CCOCCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591114893 1167105589 /nfs/dbraw/zinc/10/55/89/1167105589.db2.gz YKKPVKMYJQOFEE-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM CN(CCOCCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591114893 1167105590 /nfs/dbraw/zinc/10/55/90/1167105590.db2.gz YKKPVKMYJQOFEE-UHFFFAOYSA-N -1 3 308.298 0.220 20 5 DCBDHM CN1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1=O ZINC001591172944 1167125934 /nfs/dbraw/zinc/12/59/34/1167125934.db2.gz TVQQDCHTAQLPPU-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1=O ZINC001591172944 1167125942 /nfs/dbraw/zinc/12/59/42/1167125942.db2.gz TVQQDCHTAQLPPU-MRVPVSSYSA-N -1 3 318.297 0.203 20 5 DCBDHM CN1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1=O ZINC001591171595 1167127317 /nfs/dbraw/zinc/12/73/17/1167127317.db2.gz LALPLKVNOAQQRF-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CN1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1=O ZINC001591171595 1167127319 /nfs/dbraw/zinc/12/73/19/1167127319.db2.gz LALPLKVNOAQQRF-VIFPVBQESA-N -1 3 317.309 0.808 20 5 DCBDHM CN1CCOC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591194591 1167145238 /nfs/dbraw/zinc/14/52/38/1167145238.db2.gz ARJQBRWXHSOENI-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM CN1CCOC[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591194591 1167145241 /nfs/dbraw/zinc/14/52/41/1167145241.db2.gz ARJQBRWXHSOENI-SNVBAGLBSA-N -1 3 319.325 0.517 20 5 DCBDHM CNC(=O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591207194 1167155557 /nfs/dbraw/zinc/15/55/57/1167155557.db2.gz UVLZXMWDWWUFCK-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM CNC(=O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591207194 1167155559 /nfs/dbraw/zinc/15/55/59/1167155559.db2.gz UVLZXMWDWWUFCK-UHFFFAOYSA-N -1 3 305.298 0.713 20 5 DCBDHM COCC(COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591377144 1167248034 /nfs/dbraw/zinc/24/80/34/1167248034.db2.gz FTPAXXUEYWWZQP-UHFFFAOYSA-N -1 3 308.298 0.848 20 5 DCBDHM COCC(COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591377144 1167248038 /nfs/dbraw/zinc/24/80/38/1167248038.db2.gz FTPAXXUEYWWZQP-UHFFFAOYSA-N -1 3 308.298 0.848 20 5 DCBDHM Cc1c(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cnn1C ZINC001591819047 1167389180 /nfs/dbraw/zinc/38/91/80/1167389180.db2.gz VFSQMIARLNWQPC-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1c(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnn1C ZINC001591819047 1167389184 /nfs/dbraw/zinc/38/91/84/1167389184.db2.gz VFSQMIARLNWQPC-UHFFFAOYSA-N -1 3 315.297 0.824 20 5 DCBDHM Cc1cc(NC[C@H]2COCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044439 1167444784 /nfs/dbraw/zinc/44/47/84/1167444784.db2.gz IATKFJXYJIGVFA-QMMMGPOBSA-N -1 3 306.282 0.868 20 5 DCBDHM Cc1cc(NC[C@H]2COCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044439 1167444787 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/nfs/dbraw/zinc/41/87/80/416418780.db2.gz ZZIGOMKFTYNNDV-UHFFFAOYSA-N -1 3 319.203 0.395 20 5 DCBDHM COC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000532773926 416453760 /nfs/dbraw/zinc/45/37/60/416453760.db2.gz OMWZGDZHCMOGDM-LBPRGKRZSA-N -1 3 318.351 0.579 20 5 DCBDHM O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000556850791 416718719 /nfs/dbraw/zinc/71/87/19/416718719.db2.gz ICODVWXOWQUIDR-OAHLLOKOSA-N -1 3 321.333 0.487 20 5 DCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000523694689 417092438 /nfs/dbraw/zinc/09/24/38/417092438.db2.gz PCKPKXKJLZVKJG-LLVKDONJSA-N -1 3 308.269 0.976 20 5 DCBDHM O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000295598778 225030059 /nfs/dbraw/zinc/03/00/59/225030059.db2.gz WXUZDIVQDROPGN-LLVKDONJSA-N -1 3 323.349 0.877 20 5 DCBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ncc[nH]2)CC1 ZINC000571230904 417438505 /nfs/dbraw/zinc/43/85/05/417438505.db2.gz DSXNYZZISNBJJC-UHFFFAOYSA-N -1 3 318.293 0.381 20 5 DCBDHM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000202405933 545935817 /nfs/dbraw/zinc/93/58/17/545935817.db2.gz ABXIIZQRSFPIPY-QMMMGPOBSA-N -1 3 302.308 0.825 20 5 DCBDHM Cc1c(C(=O)[N-]c2nc[nH]n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000026258887 261104489 /nfs/dbraw/zinc/10/44/89/261104489.db2.gz OLKNIXHXUMHFCL-UHFFFAOYSA-N -1 3 314.265 0.854 20 5 DCBDHM O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363832967 262133475 /nfs/dbraw/zinc/13/34/75/262133475.db2.gz PIZMHOCWCUBQIW-NEPJUHHUSA-N -1 3 321.333 0.893 20 5 DCBDHM Cc1n[nH]c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1[N+](=O)[O-] ZINC000549726589 288202214 /nfs/dbraw/zinc/20/22/14/288202214.db2.gz KHBXZAACVOONHZ-SSDOTTSWSA-N -1 3 320.313 0.145 20 5 DCBDHM Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1[N+](=O)[O-] ZINC000549726589 288202215 /nfs/dbraw/zinc/20/22/15/288202215.db2.gz KHBXZAACVOONHZ-SSDOTTSWSA-N -1 3 320.313 0.145 20 5 DCBDHM O=[N+]([O-])c1cnn(C[C@@H](O)COc2ccc3c([O-])coc3c2)c1 ZINC000550178702 288212797 /nfs/dbraw/zinc/21/27/97/288212797.db2.gz NGFMQDFKDOKSLZ-SNVBAGLBSA-N -1 3 319.273 0.806 20 5 DCBDHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332628416 534043750 /nfs/dbraw/zinc/04/37/50/534043750.db2.gz OKNUBNARSOPZFN-NSHDSACASA-N -1 3 318.289 0.279 20 5 DCBDHM COCCN(C)CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160019015 523585003 /nfs/dbraw/zinc/58/50/03/523585003.db2.gz OITSFWMCLTXPFG-UHFFFAOYSA-N -1 3 311.338 0.999 20 5 DCBDHM O=C(NCCCN1CCC(O)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118949525 527659718 /nfs/dbraw/zinc/65/97/18/527659718.db2.gz JVYKVTVCTHRHJG-UHFFFAOYSA-N -1 3 323.349 0.877 20 5 DCBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(N)=O)c([N+](=O)[O-])s1 ZINC001668516176 1174802961 /nfs/dbraw/zinc/80/29/61/1174802961.db2.gz HNDCNPJJICYRLX-UHFFFAOYSA-N -1 3 321.380 0.897 20 5 DCBDHM CNC(=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736871778 598499351 /nfs/dbraw/zinc/49/93/51/598499351.db2.gz ZADZDFIZHKZNMF-UHFFFAOYSA-N -1 3 306.286 0.108 20 5 DCBDHM CNC(=O)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736871778 598499352 /nfs/dbraw/zinc/49/93/52/598499352.db2.gz ZADZDFIZHKZNMF-UHFFFAOYSA-N -1 3 306.286 0.108 20 5 DCBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cnc([N+](=O)[O-])n1 ZINC000821752321 607379132 /nfs/dbraw/zinc/37/91/32/607379132.db2.gz JZQYUOJROMOGLI-UHFFFAOYSA-N -1 3 302.254 0.423 20 5 DCBDHM CCN(CC(=O)N(C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821164489 606164085 /nfs/dbraw/zinc/16/40/85/606164085.db2.gz DYHWAULITPNTPR-UHFFFAOYSA-N -1 3 319.325 0.689 20 5 DCBDHM CCN(CC(=O)N(C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821164489 606164086 /nfs/dbraw/zinc/16/40/86/606164086.db2.gz DYHWAULITPNTPR-UHFFFAOYSA-N -1 3 319.325 0.689 20 5 DCBDHM O=[N+]([O-])c1ccc(NCCc2nnc[nH]2)c(-c2nn[n-]n2)c1 ZINC000823640073 607111950 /nfs/dbraw/zinc/11/19/50/607111950.db2.gz RCIGPRSYTOTMSP-UHFFFAOYSA-N -1 3 301.270 0.548 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCSC[C@H]2CO)c(-c2nnn[n-]2)c1 ZINC000826499030 608232771 /nfs/dbraw/zinc/23/27/71/608232771.db2.gz SFZMJJKAGBVBIL-SECBINFHSA-N -1 3 322.350 0.689 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCSC[C@H]2CO)c(-c2nn[n-]n2)c1 ZINC000826499030 608232773 /nfs/dbraw/zinc/23/27/73/608232773.db2.gz SFZMJJKAGBVBIL-SECBINFHSA-N -1 3 322.350 0.689 20 5 DCBDHM O=C(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)NCC1CC1 ZINC000826414029 609323744 /nfs/dbraw/zinc/32/37/44/609323744.db2.gz ARJABBKLYAICTQ-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM O=C(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)NCC1CC1 ZINC000826414029 609323745 /nfs/dbraw/zinc/32/37/45/609323745.db2.gz ARJABBKLYAICTQ-UHFFFAOYSA-N -1 3 317.309 0.713 20 5 DCBDHM CCn1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000859252477 671087027 /nfs/dbraw/zinc/08/70/27/671087027.db2.gz QUUFBLUCNRHKPD-UHFFFAOYSA-N -1 3 311.323 0.685 20 5 DCBDHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000830795790 671640848 /nfs/dbraw/zinc/64/08/48/671640848.db2.gz PMUHGHWVSYOHDY-BRDIYROLSA-N -1 3 309.244 0.321 20 5 DCBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000841522352 671938523 /nfs/dbraw/zinc/93/85/23/671938523.db2.gz HXOFEUJKRRJQLU-FSPLSTOPSA-N -1 3 320.348 0.947 20 5 DCBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC ZINC000845908592 672282056 /nfs/dbraw/zinc/28/20/56/672282056.db2.gz WQFQRBZDWXEQPL-VIFPVBQESA-N -1 3 317.323 0.610 20 5 DCBDHM C[C@H](CO)CCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589882215 1166706632 /nfs/dbraw/zinc/70/66/32/1166706632.db2.gz LOXGMQKIQWQKJZ-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@H](CO)CCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589882215 1166706637 /nfs/dbraw/zinc/70/66/37/1166706637.db2.gz LOXGMQKIQWQKJZ-QMMMGPOBSA-N -1 3 307.314 0.990 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903495 1166714356 /nfs/dbraw/zinc/71/43/56/1166714356.db2.gz DHZHTZCHTPOULW-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@@H](Cn1cncn1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903495 1166714361 /nfs/dbraw/zinc/71/43/61/1166714361.db2.gz DHZHTZCHTPOULW-QMMMGPOBSA-N -1 3 315.297 0.867 20 5 DCBDHM C[C@@H](O)[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589996998 1166743189 /nfs/dbraw/zinc/74/31/89/1166743189.db2.gz VGSACSUYTYNJJU-PELKAZGASA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@@H](O)[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589996998 1166743193 /nfs/dbraw/zinc/74/31/93/1166743193.db2.gz VGSACSUYTYNJJU-PELKAZGASA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H](O)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589997000 1166743240 /nfs/dbraw/zinc/74/32/40/1166743240.db2.gz VGSACSUYTYNJJU-QPUJVOFHSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H](O)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589997000 1166743248 /nfs/dbraw/zinc/74/32/48/1166743248.db2.gz VGSACSUYTYNJJU-QPUJVOFHSA-N -1 3 320.309 0.361 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC(=O)N1 ZINC001590315484 1166860924 /nfs/dbraw/zinc/86/09/24/1166860924.db2.gz MNBJWRAMMVBWQK-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC(=O)N1 ZINC001590315484 1166860931 /nfs/dbraw/zinc/86/09/31/1166860931.db2.gz MNBJWRAMMVBWQK-ZETCQYMHSA-N -1 3 303.282 0.100 20 5 DCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(CO)CC1 ZINC001591137239 1167113360 /nfs/dbraw/zinc/11/33/60/1167113360.db2.gz TZFSOPCYGJSEAA-UHFFFAOYSA-N -1 3 304.310 0.732 20 5 DCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(CO)CC1 ZINC001591137239 1167113362 /nfs/dbraw/zinc/11/33/62/1167113362.db2.gz TZFSOPCYGJSEAA-UHFFFAOYSA-N -1 3 304.310 0.732 20 5 DCBDHM CN(Cc1cn[nH]c1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591150557 1167115394 /nfs/dbraw/zinc/11/53/94/1167115394.db2.gz CBZVZQXNGHZEMF-UHFFFAOYSA-N -1 3 315.297 0.717 20 5 DCBDHM CN(Cc1cn[nH]c1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591150557 1167115399 /nfs/dbraw/zinc/11/53/99/1167115399.db2.gz CBZVZQXNGHZEMF-UHFFFAOYSA-N -1 3 315.297 0.717 20 5 DCBDHM CN(Cc1ncc[nH]1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591152795 1167120036 /nfs/dbraw/zinc/12/00/36/1167120036.db2.gz OEBREWYEPYJXKJ-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CN(Cc1ncc[nH]1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591152795 1167120039 /nfs/dbraw/zinc/12/00/39/1167120039.db2.gz OEBREWYEPYJXKJ-UHFFFAOYSA-N -1 3 301.270 0.529 20 5 DCBDHM CNC(=O)CCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591207393 1167155929 /nfs/dbraw/zinc/15/59/29/1167155929.db2.gz ZNLGUTPVQARSAS-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CNC(=O)CCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591207393 1167155931 /nfs/dbraw/zinc/15/59/31/1167155931.db2.gz ZNLGUTPVQARSAS-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM COC(=O)[C@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591230012 1167168609 /nfs/dbraw/zinc/16/86/09/1167168609.db2.gz XXJOAWXYDBNYPU-GFCCVEGCSA-N -1 3 322.281 0.111 20 5 DCBDHM COC(=O)[C@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591230012 1167168610 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1166663068 /nfs/dbraw/zinc/66/30/68/1166663068.db2.gz BSAPQUSWWSMDLR-UHFFFAOYSA-N -1 3 319.325 0.564 20 5 DCBDHM CC(C)CNC(=O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589635150 1166668448 /nfs/dbraw/zinc/66/84/48/1166668448.db2.gz UUIXRZYZQULMEZ-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM CC(C)CNC(=O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589635150 1166668451 /nfs/dbraw/zinc/66/84/51/1166668451.db2.gz UUIXRZYZQULMEZ-UHFFFAOYSA-N -1 3 320.313 0.354 20 5 DCBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001590108819 1166777550 /nfs/dbraw/zinc/77/75/50/1166777550.db2.gz JRTARZJJFCFFDE-UHFFFAOYSA-N -1 3 305.298 0.785 20 5 DCBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001590108819 1166777557 /nfs/dbraw/zinc/77/75/57/1166777557.db2.gz JRTARZJJFCFFDE-UHFFFAOYSA-N -1 3 305.298 0.785 20 5 DCBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC001590314411 1166859831 /nfs/dbraw/zinc/85/98/31/1166859831.db2.gz QSZFFXDSCXTJLA-UFBFGSQYSA-N -1 3 304.310 0.982 20 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DCBDHM CO[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC001591342600 1167222242 /nfs/dbraw/zinc/22/22/42/1167222242.db2.gz HKYXZPOMOHGAEX-LBPRGKRZSA-N -1 3 321.297 0.387 20 5 DCBDHM CO[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC001591342600 1167222249 /nfs/dbraw/zinc/22/22/49/1167222249.db2.gz HKYXZPOMOHGAEX-LBPRGKRZSA-N -1 3 321.297 0.387 20 5 DCBDHM CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001591361725 1167236994 /nfs/dbraw/zinc/23/69/94/1167236994.db2.gz NBHGHRMIQQBGTQ-LLVKDONJSA-N -1 3 306.282 0.584 20 5 DCBDHM CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001591361725 1167237003 /nfs/dbraw/zinc/23/70/03/1167237003.db2.gz NBHGHRMIQQBGTQ-LLVKDONJSA-N -1 3 306.282 0.584 20 5 DCBDHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001591361551 1167237040 /nfs/dbraw/zinc/23/70/40/1167237040.db2.gz NGPFCBQSAIOKEW-LBPRGKRZSA-N -1 3 320.309 0.580 20 5 DCBDHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591361551 1167237048 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O=c1[nH]ccc(NCc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC001593490005 1167874916 /nfs/dbraw/zinc/87/49/16/1167874916.db2.gz SHDMNGNMLMVWAQ-UHFFFAOYSA-N -1 3 314.265 0.883 20 5 DCBDHM CCN(CCNC(C)=O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604310090 1169551415 /nfs/dbraw/zinc/55/14/15/1169551415.db2.gz UNSPZZLXSRHPOM-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CCN(CCNC(C)=O)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604310090 1169551417 /nfs/dbraw/zinc/55/14/17/1169551417.db2.gz UNSPZZLXSRHPOM-UHFFFAOYSA-N -1 3 319.325 0.737 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1=O ZINC001604867200 1169720555 /nfs/dbraw/zinc/72/05/55/1169720555.db2.gz UXCRIAADWBFFKJ-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1=O ZINC001604867200 1169720559 /nfs/dbraw/zinc/72/05/59/1169720559.db2.gz UXCRIAADWBFFKJ-UHFFFAOYSA-N -1 3 317.309 0.443 20 5 DCBDHM Cc1cc([N+](=O)[O-])cn(Cc2cc(-c3nnn[n-]3)ccn2)c1=O ZINC001605755450 1169997472 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DCBDHM Cn1cnc([N+](=O)[O-])c1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001609481170 1170994279 /nfs/dbraw/zinc/99/42/79/1170994279.db2.gz AOZIBWUCPSKOEB-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM Cn1cnc([N+](=O)[O-])c1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001609481170 1170994282 /nfs/dbraw/zinc/99/42/82/1170994282.db2.gz AOZIBWUCPSKOEB-UHFFFAOYSA-N -1 3 301.270 0.516 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCC[C@@](O)(CO)C2)c(-c2nnn[n-]2)c1 ZINC001609601186 1171040245 /nfs/dbraw/zinc/04/02/45/1171040245.db2.gz FBZKGICWXVFJSU-ZDUSSCGKSA-N -1 3 320.309 0.099 20 5 DCBDHM O=[N+]([O-])c1ccc(N2CCC[C@@](O)(CO)C2)c(-c2nn[n-]n2)c1 ZINC001609601186 1171040253 /nfs/dbraw/zinc/04/02/53/1171040253.db2.gz FBZKGICWXVFJSU-ZDUSSCGKSA-N -1 3 320.309 0.099 20 5 DCBDHM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1CCn1ccc([N+](=O)[O-])n1 ZINC001609854470 1171105063 /nfs/dbraw/zinc/10/50/63/1171105063.db2.gz VSTCTNPHTAPYHY-RHYQMDGZSA-N -1 3 324.337 0.886 20 5 DCBDHM O=C(Cc1ccc([O-])c(F)c1)NCCn1cc([N+](=O)[O-])cn1 ZINC001622414452 1171424889 /nfs/dbraw/zinc/42/48/89/1171424889.db2.gz IFNRXFIBNXYMBA-UHFFFAOYSA-N -1 3 308.269 0.995 20 5 DCBDHM CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c(=O)[n-]cnc3C2)n1 ZINC001625147415 1171466400 /nfs/dbraw/zinc/46/64/00/1171466400.db2.gz BLDCZHHHPLWWQP-UHFFFAOYSA-N -1 3 318.293 0.505 20 5 DCBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCCCc1c[n-][nH]c1=O ZINC001634138967 1171662755 /nfs/dbraw/zinc/66/27/55/1171662755.db2.gz UJSIQKBOFQMAOK-JTQLQIEISA-N -1 3 320.305 0.602 20 5 DCBDHM CNc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001647858292 1173058565 /nfs/dbraw/zinc/05/85/65/1173058565.db2.gz GSKKIYMQQRTJFI-JTQLQIEISA-N -1 3 319.321 0.878 20 5 DCBDHM Cn1ncc([N+](=O)[O-])c1NCCNC(=O)c1ccc([O-])cc1 ZINC001654985363 1173814327 /nfs/dbraw/zinc/81/43/27/1173814327.db2.gz GCSWRVPZPRJEBG-UHFFFAOYSA-N -1 3 305.294 0.876 20 5 DCBDHM