smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567052815 319343631 /nfs/dbraw/zinc/34/36/31/319343631.db2.gz KCFQUKHZZCLZPD-JTQLQIEISA-N -2 3 344.389 2.396 20 5 EEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)ccc1[O-] ZINC000590597552 468281232 /nfs/dbraw/zinc/28/12/32/468281232.db2.gz BZBCOCSLZNKRCY-UHFFFAOYSA-N -2 3 344.732 2.460 20 5 EEBDHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567506169 319386498 /nfs/dbraw/zinc/38/64/98/319386498.db2.gz GAPLYIOFRBQSTG-SNVBAGLBSA-N -2 3 344.389 2.396 20 5 EEBDHL CCN(c1cccc([O-])c1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000322884901 466635406 /nfs/dbraw/zinc/63/54/06/466635406.db2.gz WCUNZOGAWSCNSI-UHFFFAOYSA-N -2 3 338.341 2.221 20 5 EEBDHL COC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234748486 1305018561 /nfs/dbraw/zinc/01/85/61/1305018561.db2.gz RQTWBDHWPPXLET-MRVPVSSYSA-N -2 3 330.292 2.298 20 5 EEBDHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000769244943 577573113 /nfs/dbraw/zinc/57/31/13/577573113.db2.gz UVRPXLPAYOZAKR-UHFFFAOYSA-N -2 3 332.297 2.378 20 5 EEBDHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826278721 609501259 /nfs/dbraw/zinc/50/12/59/609501259.db2.gz PMILFXDQGPKDQT-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826278721 609501260 /nfs/dbraw/zinc/50/12/60/609501260.db2.gz PMILFXDQGPKDQT-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL COc1c([O-])ccc2c(=O)c3c(OC4CC(O)C4)cc([O-])cc3oc21 ZINC001218262118 1297617759 /nfs/dbraw/zinc/61/77/59/1297617759.db2.gz VETGLFPMWGVYEI-UHFFFAOYSA-N -2 3 344.319 2.268 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(OC4COCOC4)cc3c([O-])c1-2 ZINC001227306848 1301775319 /nfs/dbraw/zinc/77/53/19/1301775319.db2.gz NZBMYCTYHVAYPV-UHFFFAOYSA-N -2 3 330.292 2.109 20 5 EEBDHL COCC(COC)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306227 1301775831 /nfs/dbraw/zinc/77/58/31/1301775831.db2.gz HSOPZUFEGCRTSV-UHFFFAOYSA-N -2 3 346.335 2.398 20 5 EEBDHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275018943 201275410 /nfs/dbraw/zinc/27/54/10/201275410.db2.gz OMJABTANUFQHLJ-JTQLQIEISA-N -2 3 344.389 2.153 20 5 EEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000336865724 304248274 /nfs/dbraw/zinc/24/82/74/304248274.db2.gz FMCDKBWJEULOPR-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275012823 269084703 /nfs/dbraw/zinc/08/47/03/269084703.db2.gz QFNXJQYUIBBUQS-SNVBAGLBSA-N -2 3 344.389 2.010 20 5 EEBDHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000349105679 465973255 /nfs/dbraw/zinc/97/32/55/465973255.db2.gz HAPLXMUSAKMDDK-XQRVVYSFSA-N -2 3 345.311 2.205 20 5 EEBDHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000319773205 466600340 /nfs/dbraw/zinc/60/03/40/466600340.db2.gz FUZRHYUJEUICPE-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL COc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1F ZINC000769889305 577586485 /nfs/dbraw/zinc/58/64/85/577586485.db2.gz HLNJHEAPUBPJAM-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000829346554 601404946 /nfs/dbraw/zinc/40/49/46/601404946.db2.gz ARYYJARKVZJJRS-NSHDSACASA-N -2 3 348.352 2.046 20 5 EEBDHL COC(=O)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228971502 1302551249 /nfs/dbraw/zinc/55/12/49/1302551249.db2.gz PNWUQZQLTXXHBM-CQSZACIVSA-N -2 3 337.259 2.438 20 5 EEBDHL O=C1CC(Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)C1 ZINC001234751015 1305020316 /nfs/dbraw/zinc/02/03/16/1305020316.db2.gz QXRXTGOWOHOEBC-UHFFFAOYSA-N -2 3 328.276 2.173 20 5 EEBDHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320966558 311595956 /nfs/dbraw/zinc/59/59/56/311595956.db2.gz NMKLADUCJWVXCG-GHMZBOCLSA-N -2 3 344.389 2.153 20 5 EEBDHL O=C([O-])c1cc([N-]S(=O)(=O)CCC2CCC2)cc([N+](=O)[O-])c1 ZINC000563226316 469206507 /nfs/dbraw/zinc/20/65/07/469206507.db2.gz JBDPBIOLOWWGGE-UHFFFAOYSA-N -2 3 328.346 2.225 20 5 EEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000775670177 577442343 /nfs/dbraw/zinc/44/23/43/577442343.db2.gz UZVLPMJOFOIPNJ-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C2 ZINC001228968824 1302550402 /nfs/dbraw/zinc/55/04/02/1302550402.db2.gz QULUVJACPHJMRA-GFCCVEGCSA-N -2 3 332.268 2.460 20 5 EEBDHL O=C1OCC[C@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234748589 1305018965 /nfs/dbraw/zinc/01/89/65/1305018965.db2.gz TXMUWFZUEVPQKB-LLVKDONJSA-N -2 3 328.276 2.052 20 5 EEBDHL Cc1c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)cccc1[N+](=O)[O-] ZINC001607552878 1351514653 /nfs/dbraw/zinc/51/46/53/1351514653.db2.gz QTDWBMGMMZSRDA-UHFFFAOYSA-N -2 3 342.373 2.290 20 5 EEBDHL O=c1nc(C=Cc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352012333 162027449 /nfs/dbraw/zinc/02/74/49/162027449.db2.gz ATDSMFDGEQPQHJ-VOTSOKGWSA-N -2 3 339.311 2.211 20 5 EEBDHL O=C([O-])[C@@H]1CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc2C1 ZINC001608525921 1351709997 /nfs/dbraw/zinc/70/99/97/1351709997.db2.gz KHVOMAWQAKWOIF-ZCFIWIBFSA-N -2 3 337.313 2.086 20 5 EEBDHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001589657313 987630853 /nfs/dbraw/zinc/63/08/53/987630853.db2.gz ZCEQUVBOJFAFKR-UHFFFAOYSA-N -2 3 325.302 2.259 20 5 EEBDHL COc1cc(CNCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-] ZINC000426686730 241324958 /nfs/dbraw/zinc/32/49/58/241324958.db2.gz GRFRBPMIVLTBMD-UHFFFAOYSA-N -2 3 332.312 2.297 20 5 EEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1n[n-]nc1-c1ccccc1 ZINC000189354447 160141142 /nfs/dbraw/zinc/14/11/42/160141142.db2.gz PKMDZCVTMKOVMZ-UHFFFAOYSA-N -2 3 325.284 2.338 20 5 EEBDHL Cc1nc(C=CC=Cc2ccccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-] ZINC000349107462 465972041 /nfs/dbraw/zinc/97/20/41/465972041.db2.gz JXWAPPXYAPNZKU-DLYLGUBQSA-N -2 3 341.323 2.340 20 5 EEBDHL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000359087865 164054764 /nfs/dbraw/zinc/05/47/64/164054764.db2.gz XCFQBFYGONLEQX-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL CCC(CC)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000559738082 318755840 /nfs/dbraw/zinc/75/58/40/318755840.db2.gz PLGVZUMTRBUEPY-UHFFFAOYSA-N -2 3 344.389 2.133 20 5 EEBDHL COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1[O-] ZINC000066635338 462914246 /nfs/dbraw/zinc/91/42/46/462914246.db2.gz UPLNAIOHTSJFDF-UHFFFAOYSA-N -2 3 332.268 2.045 20 5 EEBDHL CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c([O-])c1 ZINC000436715169 467552409 /nfs/dbraw/zinc/55/24/09/467552409.db2.gz VXTODWLYZKGWIY-UHFFFAOYSA-N -2 3 346.295 2.435 20 5 EEBDHL O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131523916 1202048450 /nfs/dbraw/zinc/04/84/50/1202048450.db2.gz XKHCPQLOIZJOLZ-UHFFFAOYSA-N -2 3 330.268 2.379 20 5 EEBDHL Cc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044029 1349961046 /nfs/dbraw/zinc/96/10/46/1349961046.db2.gz BMUDOPOCCPQOPR-GFCCVEGCSA-N -2 3 339.304 2.181 20 5 EEBDHL CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000825082771 608586907 /nfs/dbraw/zinc/58/69/07/608586907.db2.gz VQIFBMQFCLWCKU-QMMMGPOBSA-N -2 3 343.351 2.389 20 5 EEBDHL O=C1OCCC[C@@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234742527 1305016301 /nfs/dbraw/zinc/01/63/01/1305016301.db2.gz QNDRNXARYMQGPJ-LBPRGKRZSA-N -2 3 342.303 2.442 20 5 EEBDHL CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770467 1348932928 /nfs/dbraw/zinc/93/29/28/1348932928.db2.gz MQDCOLJPPGEPHQ-VURMDHGXSA-N -2 3 339.315 2.139 20 5 EEBDHL CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770467 1348932930 /nfs/dbraw/zinc/93/29/30/1348932930.db2.gz MQDCOLJPPGEPHQ-VURMDHGXSA-N -2 3 339.315 2.139 20 5 EEBDHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360169074 164249928 /nfs/dbraw/zinc/24/99/28/164249928.db2.gz CLCODGCKVRWGHH-UHFFFAOYSA-N -2 3 327.655 2.446 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275054843 269089599 /nfs/dbraw/zinc/08/95/99/269089599.db2.gz HKXICLSAVCHTGK-SNVBAGLBSA-N -2 3 344.389 2.071 20 5 EEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1[O-] ZINC000336875297 465068238 /nfs/dbraw/zinc/06/82/38/465068238.db2.gz FAPZPGUUVQPANA-UHFFFAOYSA-N -2 3 336.325 2.131 20 5 EEBDHL O=C([O-])c1c[nH]c(=O)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000740069212 578079555 /nfs/dbraw/zinc/07/95/55/578079555.db2.gz QYKJAPQJWWJIMH-UHFFFAOYSA-N -2 3 337.675 2.299 20 5 EEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@H]1COc2cscc2O1 ZINC001228972607 1302553223 /nfs/dbraw/zinc/55/32/23/1302553223.db2.gz AJNOVNHBUIFWKZ-QMMMGPOBSA-N -2 3 325.298 2.286 20 5 EEBDHL O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4COC[C@H]4F)c3c([O-])c1-2 ZINC001234120698 1304750032 /nfs/dbraw/zinc/75/00/32/1304750032.db2.gz VJAPPXZPMICHDO-AMIZOPFISA-N -2 3 348.282 2.179 20 5 EEBDHL CCN1CC(Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)C1 ZINC001234752289 1305019843 /nfs/dbraw/zinc/01/98/43/1305019843.db2.gz GPVBRRNRZGKRCJ-UHFFFAOYSA-N -2 3 343.335 2.146 20 5 EEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000517155193 316643953 /nfs/dbraw/zinc/64/39/53/316643953.db2.gz CASFQCCOMGHLRQ-UHFFFAOYSA-N -2 3 342.373 2.294 20 5 EEBDHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255104 319918039 /nfs/dbraw/zinc/91/80/39/319918039.db2.gz LFOQPAWPGBMFDK-NXEZZACHSA-N -2 3 342.373 2.150 20 5 EEBDHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([N+](=O)[O-])c[n-]c1=O ZINC000354602470 465048689 /nfs/dbraw/zinc/04/86/89/465048689.db2.gz NYZHLAQDTYMMDV-UHFFFAOYSA-N -2 3 327.655 2.446 20 5 EEBDHL Cc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000738339608 578010134 /nfs/dbraw/zinc/01/01/34/578010134.db2.gz UHUZBFKUBUQMCQ-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228968623 1302550052 /nfs/dbraw/zinc/55/00/52/1302550052.db2.gz OJOBIRWFGVISBP-SNVBAGLBSA-N -2 3 340.332 2.394 20 5 EEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3COCO3)c12 ZINC001234741650 1305016377 /nfs/dbraw/zinc/01/63/77/1305016377.db2.gz KCKAKSJVOAWRBA-SNVBAGLBSA-N -2 3 330.292 2.109 20 5 EEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@@H]3COC[C@H]3F)c12 ZINC001234749395 1305019239 /nfs/dbraw/zinc/01/92/39/1305019239.db2.gz ZUSSTLGHVJGHJO-QMTHXVAHSA-N -2 3 332.283 2.473 20 5 EEBDHL O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1[O-] ZINC000346510384 161378202 /nfs/dbraw/zinc/37/82/02/161378202.db2.gz UPRDTYQORYTWSY-UHFFFAOYSA-N -2 3 340.332 2.424 20 5 EEBDHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275018947 269084841 /nfs/dbraw/zinc/08/48/41/269084841.db2.gz OMJABTANUFQHLJ-SNVBAGLBSA-N -2 3 344.389 2.153 20 5 EEBDHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255106 319918163 /nfs/dbraw/zinc/91/81/63/319918163.db2.gz LFOQPAWPGBMFDK-VHSXEESVSA-N -2 3 342.373 2.150 20 5 EEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1[O-] ZINC000024101104 463078229 /nfs/dbraw/zinc/07/82/29/463078229.db2.gz JHJBBZFLQZAYPQ-UHFFFAOYSA-N -2 3 330.268 2.379 20 5 EEBDHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319731215 466598853 /nfs/dbraw/zinc/59/88/53/466598853.db2.gz WSNHUGHFKVTEJO-AWEZNQCLSA-N -2 3 344.389 2.133 20 5 EEBDHL C[C@@H](O)CC(=O)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307388 1301775501 /nfs/dbraw/zinc/77/55/01/1301775501.db2.gz WLFCLQRFYKGEBH-MRVPVSSYSA-N -2 3 330.292 2.034 20 5 EEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@@H]1COc2cscc2O1 ZINC001228972606 1302553727 /nfs/dbraw/zinc/55/37/27/1302553727.db2.gz AJNOVNHBUIFWKZ-MRVPVSSYSA-N -2 3 325.298 2.286 20 5 EEBDHL CC(C)(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603071328 1350632474 /nfs/dbraw/zinc/63/24/74/1350632474.db2.gz KNRPDBFQDZXHEQ-NSHDSACASA-N -2 3 348.363 2.466 20 5 EEBDHL CCC(CC)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000336874992 282119781 /nfs/dbraw/zinc/11/97/81/282119781.db2.gz ZPIJMXVOEJXUMN-UHFFFAOYSA-N -2 3 344.389 2.073 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548217769 318365715 /nfs/dbraw/zinc/36/57/15/318365715.db2.gz VXBIBGDHHGETCA-SNVBAGLBSA-N -2 3 344.389 2.071 20 5 EEBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]CC2=CCCCC2)c1[N+](=O)[O-] ZINC000565061697 319145049 /nfs/dbraw/zinc/14/50/49/319145049.db2.gz XJBOBJVQZWUXME-UHFFFAOYSA-N -2 3 340.357 2.072 20 5 EEBDHL O=[N+]([O-])c1cnc([N-]c2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000738374185 578011602 /nfs/dbraw/zinc/01/16/02/578011602.db2.gz KLHAWNCWTRIWIG-UHFFFAOYSA-N -2 3 349.314 2.099 20 5 EEBDHL CC(=O)[C@H](C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234750188 1305018641 /nfs/dbraw/zinc/01/86/41/1305018641.db2.gz HFRFYZQENHXOMX-QMMMGPOBSA-N -2 3 330.292 2.419 20 5 EEBDHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109625082 159351725 /nfs/dbraw/zinc/35/17/25/159351725.db2.gz GGLAEXBOYLMZDI-UHFFFAOYSA-N -2 3 343.274 2.477 20 5 EEBDHL Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000376144555 167270927 /nfs/dbraw/zinc/27/09/27/167270927.db2.gz PFDGOWUWTWJIDD-UHFFFAOYSA-N -2 3 346.328 2.103 20 5 EEBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000560480668 468816799 /nfs/dbraw/zinc/81/67/99/468816799.db2.gz FHIYJOZTBITXKO-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131527959 1202048655 /nfs/dbraw/zinc/04/86/55/1202048655.db2.gz MCGARNGQAFWUNG-UHFFFAOYSA-N -2 3 330.268 2.379 20 5 EEBDHL O=[N+]([O-])c1ccc([C@@H](OCCP(=O)([O-])[O-])C(F)(F)F)cc1 ZINC001224603490 1300666123 /nfs/dbraw/zinc/66/61/23/1300666123.db2.gz YYWSSDVAGXCUPN-SECBINFHSA-N -2 3 329.167 2.393 20 5 EEBDHL NN1CCC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])CC1 ZINC001227309151 1301776907 /nfs/dbraw/zinc/77/69/07/1301776907.db2.gz HYIUKLRGFOEGMG-UHFFFAOYSA-N -2 3 342.351 2.074 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593282924 1349762047 /nfs/dbraw/zinc/76/20/47/1349762047.db2.gz GRKVNXYMSHWFRB-SNAWJCMRSA-N -2 3 338.283 2.039 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593282924 1349762049 /nfs/dbraw/zinc/76/20/49/1349762049.db2.gz GRKVNXYMSHWFRB-SNAWJCMRSA-N -2 3 338.283 2.039 20 5 EEBDHL Cc1c([N-]c2nc3ccccc3cc2[N+](=O)[O-])cnn1CC(=O)[O-] ZINC001607553830 1351514704 /nfs/dbraw/zinc/51/47/04/1351514704.db2.gz BIMNKYXJYMMVTP-UHFFFAOYSA-N -2 3 327.300 2.476 20 5 EEBDHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000563711716 319039084 /nfs/dbraw/zinc/03/90/84/319039084.db2.gz AZDJYRQMHOYGJJ-GFCCVEGCSA-N -2 3 344.389 2.071 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823387771 606304604 /nfs/dbraw/zinc/30/46/04/606304604.db2.gz XFEOANGEHYBRMH-OWOJBTEDSA-N -2 3 344.312 2.100 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823387771 606304606 /nfs/dbraw/zinc/30/46/06/606304606.db2.gz XFEOANGEHYBRMH-OWOJBTEDSA-N -2 3 344.312 2.100 20 5 EEBDHL O=c1cc(O)cc2oc3c(ccc([O-])c3OC[C@H]3C[C@@H](O)C3)c([O-])c1-2 ZINC001218435558 1297664560 /nfs/dbraw/zinc/66/45/60/1297664560.db2.gz GXFAZUJNDCKREU-DTORHVGOSA-N -2 3 344.319 2.213 20 5 EEBDHL Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cnn1CC(=O)[O-] ZINC001607554270 1351514977 /nfs/dbraw/zinc/51/49/77/1351514977.db2.gz ODQMLHOCIGHALR-UHFFFAOYSA-N -2 3 345.237 2.342 20 5 EEBDHL CSc1nsc([N-]C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001599830487 988665182 /nfs/dbraw/zinc/66/51/82/988665182.db2.gz YBZSVTKRRGLXGX-UHFFFAOYSA-N -2 3 340.342 2.119 20 5 EEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2n[n-]nc2c1 ZINC000186063345 160057397 /nfs/dbraw/zinc/05/73/97/160057397.db2.gz IDVIZWFWGMNLDW-UHFFFAOYSA-N -2 3 333.691 2.477 20 5 EEBDHL O=c1nc(C=Cc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352022543 162033220 /nfs/dbraw/zinc/03/32/20/162033220.db2.gz ZDXVOLHLQUVIBD-IHWYPQMZSA-N -2 3 333.691 2.268 20 5 EEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000277278609 269146466 /nfs/dbraw/zinc/14/64/66/269146466.db2.gz PLCMOXVSMRHQPX-UHFFFAOYSA-N -2 3 344.389 2.135 20 5 EEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC000277324654 463911138 /nfs/dbraw/zinc/91/11/38/463911138.db2.gz UUTXJWQWXPDTLK-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2c(F)cc([O-])cc2F)n1 ZINC001602405648 1350512097 /nfs/dbraw/zinc/51/20/97/1350512097.db2.gz CPYDDBKTDJXMQQ-UHFFFAOYSA-N -2 3 339.254 2.326 20 5 EEBDHL CCCC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262464937 152282450 /nfs/dbraw/zinc/28/24/50/152282450.db2.gz NLZVJKGEMIJMDU-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1[O-] ZINC000436839582 315004537 /nfs/dbraw/zinc/00/45/37/315004537.db2.gz ODHYFZBGYGMFBO-UHFFFAOYSA-N -2 3 346.295 2.353 20 5 EEBDHL O=C([O-])c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000738688869 577104741 /nfs/dbraw/zinc/10/47/41/577104741.db2.gz NIHIUYVDVVYHDB-UHFFFAOYSA-N -2 3 326.268 2.422 20 5 EEBDHL O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCOC4)c3c([O-])c1-2 ZINC001234117971 1304750458 /nfs/dbraw/zinc/75/04/58/1304750458.db2.gz AAAOFBFIZJRIQL-SECBINFHSA-N -2 3 330.292 2.231 20 5 EEBDHL C[C@H]1COC[C@@H]1Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234751643 1305019772 /nfs/dbraw/zinc/01/97/72/1305019772.db2.gz BIEXCAXKIRTYLS-RTHLEPHNSA-N -2 3 344.319 2.477 20 5 EEBDHL CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)n1 ZINC001597899274 989769200 /nfs/dbraw/zinc/76/92/00/989769200.db2.gz GHKXNTAIZYTXAG-UHFFFAOYSA-N -2 3 340.242 2.040 20 5 EEBDHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163120287 255807818 /nfs/dbraw/zinc/80/78/18/255807818.db2.gz XVMVODXKVWHCFL-UHFFFAOYSA-N -2 3 343.274 2.477 20 5 EEBDHL COC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000436502458 314968567 /nfs/dbraw/zinc/96/85/67/314968567.db2.gz HGNIJVFFUTZYDQ-UHFFFAOYSA-N -2 3 332.268 2.045 20 5 EEBDHL O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C2 ZINC001228968825 1302549876 /nfs/dbraw/zinc/54/98/76/1302549876.db2.gz QULUVJACPHJMRA-LBPRGKRZSA-N -2 3 332.268 2.460 20 5 EEBDHL CCN1CC(Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234118636 1304751036 /nfs/dbraw/zinc/75/10/36/1304751036.db2.gz HVBSLYXPUSZSER-UHFFFAOYSA-N -2 3 343.335 2.146 20 5 EEBDHL CC(C)(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000320902888 311595996 /nfs/dbraw/zinc/59/59/96/311595996.db2.gz DWLPBIWBOGNJTL-UHFFFAOYSA-N -2 3 344.389 2.154 20 5 EEBDHL O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131529133 462814674 /nfs/dbraw/zinc/81/46/74/462814674.db2.gz UVKGQBVTZXOTHZ-UHFFFAOYSA-N -2 3 340.332 2.424 20 5 EEBDHL C[C@H]1COC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234121420 1304752309 /nfs/dbraw/zinc/75/23/09/1304752309.db2.gz ZLCOBTIDVXQEKG-RTHLEPHNSA-N -2 3 344.319 2.477 20 5 EEBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000296829271 294078224 /nfs/dbraw/zinc/07/82/24/294078224.db2.gz AZZUYTWDVGUFBG-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535054104 468294486 /nfs/dbraw/zinc/29/44/86/468294486.db2.gz JRDIPRRJBUCDQN-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(OC4COC4)cc3c(=O)c12 ZINC001234799031 1305026487 /nfs/dbraw/zinc/02/64/87/1305026487.db2.gz LELASHJIGQUULN-UHFFFAOYSA-N -2 3 330.292 2.144 20 5 EEBDHL CN(C)Cc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000436711700 467551274 /nfs/dbraw/zinc/55/12/74/467551274.db2.gz KFDBVWMWOQYUMP-UHFFFAOYSA-N -2 3 340.723 2.256 20 5 EEBDHL O=c1ccc(O)c2oc3cc([O-])cc(OC[C@H]4C[C@H](O)C4)c3c([O-])c1-2 ZINC001218429073 1297661369 /nfs/dbraw/zinc/66/13/69/1297661369.db2.gz GKCUKCYFNGIUFP-KYZUINATSA-N -2 3 344.319 2.213 20 5 EEBDHL O=[N+]([O-])c1ccccc1N1CC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225019461 1300833404 /nfs/dbraw/zinc/83/34/04/1300833404.db2.gz WOUPWTPQRSNAMH-LBPRGKRZSA-N -2 3 344.304 2.148 20 5 EEBDHL O=c1[n-]cnc(OC(=C([O-])c2ccco2)c2ccco2)c1[N+](=O)[O-] ZINC001228143938 1302123429 /nfs/dbraw/zinc/12/34/29/1302123429.db2.gz RBOSOETUJSQBKR-LBPRGKRZSA-N -2 3 331.240 2.279 20 5 EEBDHL CCOC(=O)C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228970593 1302552589 /nfs/dbraw/zinc/55/25/89/1302552589.db2.gz IKWUQQLRWNAVNX-SECBINFHSA-N -2 3 339.222 2.269 20 5 EEBDHL C[C@@H]1[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973519 1302553376 /nfs/dbraw/zinc/55/33/76/1302553376.db2.gz KFWQTQDNRQGSBP-PELKAZGASA-N -2 3 340.332 2.393 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(OC4CC(O)C4)cc3c(=O)c12 ZINC001218261699 1297617596 /nfs/dbraw/zinc/61/75/96/1297617596.db2.gz MQXKOGIVCYCMAO-UHFFFAOYSA-N -2 3 344.319 2.268 20 5 EEBDHL O=C([O-])c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001610837750 1352283084 /nfs/dbraw/zinc/28/30/84/1352283084.db2.gz JLJCHHDCXFJNDA-UHFFFAOYSA-N -2 3 331.284 2.245 20 5 EEBDHL CCC(CC)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590428959 1349320888 /nfs/dbraw/zinc/32/08/88/1349320888.db2.gz YBXDGHLBOKSZCQ-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC001593282948 1349761769 /nfs/dbraw/zinc/76/17/69/1349761769.db2.gz HXGICNAVARHYRM-IWQZZHSRSA-N -2 3 344.312 2.100 20 5 EEBDHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC001593282948 1349761774 /nfs/dbraw/zinc/76/17/74/1349761774.db2.gz HXGICNAVARHYRM-IWQZZHSRSA-N -2 3 344.312 2.100 20 5 EEBDHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000349105777 161514631 /nfs/dbraw/zinc/51/46/31/161514631.db2.gz HIXSJGIRAUYLRB-GQCTYLIASA-N -2 3 345.311 2.205 20 5 EEBDHL CCOC(=O)N1CCC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228970712 1302551664 /nfs/dbraw/zinc/55/16/64/1302551664.db2.gz KRCQUCCMXVMHDH-UHFFFAOYSA-N -2 3 326.305 2.006 20 5 EEBDHL O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cnoc1 ZINC001602030920 1350422062 /nfs/dbraw/zinc/42/20/62/1350422062.db2.gz GAYCQOYCGVHNKN-UHFFFAOYSA-N -2 3 337.313 2.402 20 5 EEBDHL C[C@H](Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001592878154 979748676 /nfs/dbraw/zinc/74/86/76/979748676.db2.gz VPRFYGVXDSZLHW-SECBINFHSA-N -2 3 345.311 2.211 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548542016 318395205 /nfs/dbraw/zinc/39/52/05/318395205.db2.gz GUWWOVLWBVYRFK-UHFFFAOYSA-N -2 3 344.389 2.073 20 5 EEBDHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567506168 319386432 /nfs/dbraw/zinc/38/64/32/319386432.db2.gz GAPLYIOFRBQSTG-JTQLQIEISA-N -2 3 344.389 2.396 20 5 EEBDHL COc1cc(CNc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1[O-] ZINC000826179382 608868807 /nfs/dbraw/zinc/86/88/07/608868807.db2.gz MKFILMKCUFTIIN-UHFFFAOYSA-N -2 3 342.315 2.101 20 5 EEBDHL O=c1nc(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[n-]c(=O)[n-]1 ZINC001227571278 1301895005 /nfs/dbraw/zinc/89/50/05/1301895005.db2.gz RLXQPYCCMIPVBC-CYBMUJFWSA-N -2 3 340.295 2.359 20 5 EEBDHL CN1CC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234118803 1304750147 /nfs/dbraw/zinc/75/01/47/1304750147.db2.gz JRNNLFSPFVGKHO-JTQLQIEISA-N -2 3 343.335 2.146 20 5 EEBDHL COc1c([O-])ccc2c(=O)c3c(OC4CN(C)C4)cc([O-])cc3oc21 ZINC001234747916 1305018308 /nfs/dbraw/zinc/01/83/08/1305018308.db2.gz DNPKCOMSMJVNEW-UHFFFAOYSA-N -2 3 343.335 2.059 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)CON)cc3c(=O)c12 ZINC001234801534 1305028140 /nfs/dbraw/zinc/02/81/40/1305028140.db2.gz SJQGFINIIMCUCM-QMMMGPOBSA-N -2 3 347.323 2.024 20 5 EEBDHL C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581947095 324349163 /nfs/dbraw/zinc/34/91/63/324349163.db2.gz MTNAVOGOZCKBRZ-VIFPVBQESA-N -2 3 344.389 2.396 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401352521 467460037 /nfs/dbraw/zinc/46/00/37/467460037.db2.gz YHXAZIKAFIJSAF-JTQLQIEISA-N -2 3 344.389 2.071 20 5 EEBDHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088028 468642548 /nfs/dbraw/zinc/64/25/48/468642548.db2.gz QTPZRRYKZQIDHG-ZJUUUORDSA-N -2 3 342.373 2.008 20 5 EEBDHL O=C1CC[C@@H](COc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)O1 ZINC001234742567 1305016920 /nfs/dbraw/zinc/01/69/20/1305016920.db2.gz RDBCAMGSKTYGRF-JTQLQIEISA-N -2 3 342.303 2.442 20 5 EEBDHL Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213798 788931975 /nfs/dbraw/zinc/93/19/75/788931975.db2.gz MRZWGGZTFYYXFY-UHFFFAOYSA-N -2 3 345.237 2.350 20 5 EEBDHL COC(=O)[C@@H](C)Oc1cc2c(cc1[O-])oc1cccc(=O)c-1c2[O-] ZINC001227306103 1301775110 /nfs/dbraw/zinc/77/51/10/1301775110.db2.gz FUXSFUYZINQBTE-MRVPVSSYSA-N -2 3 330.292 2.298 20 5 EEBDHL O=c1[n-]cnc(OC(=C([O-])c2ccco2)c2ccco2)c1[N+](=O)[O-] ZINC001228143934 1302122898 /nfs/dbraw/zinc/12/28/98/1302122898.db2.gz RBOSOETUJSQBKR-GFCCVEGCSA-N -2 3 331.240 2.279 20 5 EEBDHL COc1c([O-])ccc2c(=O)c3c(OC4CC(=O)C4)cc([O-])cc3oc21 ZINC001234750433 1305019106 /nfs/dbraw/zinc/01/91/06/1305019106.db2.gz BAHLLDRCYZHZTK-UHFFFAOYSA-N -2 3 342.303 2.476 20 5 EEBDHL O=C([O-])c1ccc(F)c2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001608896965 1351789493 /nfs/dbraw/zinc/78/94/93/1351789493.db2.gz ZRDGVNXSLVMHRE-UHFFFAOYSA-N -2 3 333.275 2.095 20 5 EEBDHL Cc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001608072829 1351618824 /nfs/dbraw/zinc/61/88/24/1351618824.db2.gz INGCTVHTKUZQPH-UHFFFAOYSA-N -2 3 337.313 2.324 20 5 EEBDHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000535053500 468294023 /nfs/dbraw/zinc/29/40/23/468294023.db2.gz HIHQRGSGLUPEAB-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL Cc1c([N-]S(=O)(=O)CCCCF)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000600657464 468611454 /nfs/dbraw/zinc/61/14/54/468611454.db2.gz KJFWOOHVUDFXBX-UHFFFAOYSA-N -2 3 334.325 2.093 20 5 EEBDHL CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000825958445 608524699 /nfs/dbraw/zinc/52/46/99/608524699.db2.gz WXIDVYAKWKEMQR-UHFFFAOYSA-N -2 3 340.343 2.113 20 5 EEBDHL O=C([O-])c1c2c(sc1[N-]C(=O)c1ccc([N+](=O)[O-])o1)COCC2 ZINC001608527565 1351710517 /nfs/dbraw/zinc/71/05/17/1351710517.db2.gz VNKZGCQFXKNFPI-UHFFFAOYSA-N -2 3 338.297 2.273 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593282922 1349761654 /nfs/dbraw/zinc/76/16/54/1349761654.db2.gz GRKVNXYMSHWFRB-PLNGDYQASA-N -2 3 338.283 2.039 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593282922 1349761656 /nfs/dbraw/zinc/76/16/56/1349761656.db2.gz GRKVNXYMSHWFRB-PLNGDYQASA-N -2 3 338.283 2.039 20 5 EEBDHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006756 320224139 /nfs/dbraw/zinc/22/41/39/320224139.db2.gz LDAVTBWUUCNWEG-ONGXEEELSA-N -2 3 344.389 2.071 20 5 EEBDHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319731219 466598840 /nfs/dbraw/zinc/59/88/40/466598840.db2.gz WSNHUGHFKVTEJO-CQSZACIVSA-N -2 3 344.389 2.133 20 5 EEBDHL CC[C@@H](O)C(=O)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307329 1301775532 /nfs/dbraw/zinc/77/55/32/1301775532.db2.gz WBFMWDLOEWFVDK-SECBINFHSA-N -2 3 330.292 2.034 20 5 EEBDHL Cc1c(NC(=O)[N-]O[C@H]2CCCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044030 1349961059 /nfs/dbraw/zinc/96/10/59/1349961059.db2.gz BMUDOPOCCPQOPR-LBPRGKRZSA-N -2 3 339.304 2.181 20 5 EEBDHL CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355762222 163292996 /nfs/dbraw/zinc/29/29/96/163292996.db2.gz QCIHEYDNTSMHDY-UHFFFAOYSA-N -2 3 349.328 2.011 20 5 EEBDHL C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088026 468641741 /nfs/dbraw/zinc/64/17/41/468641741.db2.gz QTPZRRYKZQIDHG-UWVGGRQHSA-N -2 3 342.373 2.008 20 5 EEBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C)c([O-])c1 ZINC000619467703 469616873 /nfs/dbraw/zinc/61/68/73/469616873.db2.gz XLMKKVKTLWOGJU-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC000738276338 578007475 /nfs/dbraw/zinc/00/74/75/578007475.db2.gz SOUUGMMWWBQWRR-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436599928 314979585 /nfs/dbraw/zinc/97/95/85/314979585.db2.gz FDBFGAGTNWYUPB-UHFFFAOYSA-N -2 3 343.274 2.477 20 5 EEBDHL CC(C)CCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000519163163 316766984 /nfs/dbraw/zinc/76/69/84/316766984.db2.gz RYWUSHYJQBJVKE-UHFFFAOYSA-N -2 3 330.362 2.008 20 5 EEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1O ZINC000340234608 465907483 /nfs/dbraw/zinc/90/74/83/465907483.db2.gz ATQCTIMEKNEHOG-UHFFFAOYSA-N -2 3 338.341 2.424 20 5 EEBDHL O=c1nc(C=Cc2ccc(O[C@@H]3CCOC3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000594697725 468656977 /nfs/dbraw/zinc/65/69/77/468656977.db2.gz YDUXHKUOURSMBJ-MJRJWQSSSA-N -2 3 345.311 2.134 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(O[C@@H]4CNCC4(F)F)cc3c([O-])c1-2 ZINC001218232276 1297609870 /nfs/dbraw/zinc/60/98/70/1297609870.db2.gz CCAPQUZAAORQLN-CQSZACIVSA-N -2 3 349.289 2.343 20 5 EEBDHL CCOC(=O)N1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228969892 1302550966 /nfs/dbraw/zinc/55/09/66/1302550966.db2.gz DUKCJEVTXYFNDK-JTQLQIEISA-N -2 3 326.305 2.006 20 5 EEBDHL O=C([O-])c1cc([N-]S(=O)(=O)C2=CCCCC2)cc([N+](=O)[O-])c1 ZINC001608856551 1351779863 /nfs/dbraw/zinc/77/98/63/1351779863.db2.gz CNDMIYFHBLVTCX-UHFFFAOYSA-N -2 3 326.330 2.493 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593284059 1349763224 /nfs/dbraw/zinc/76/32/24/1349763224.db2.gz WEROPYDMYYWLRP-ZZXKWVIFSA-N -2 3 338.283 2.039 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593284059 1349763226 /nfs/dbraw/zinc/76/32/26/1349763226.db2.gz WEROPYDMYYWLRP-ZZXKWVIFSA-N -2 3 338.283 2.039 20 5 EEBDHL Cc1ccc(-c2nc([N-]C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n[n-]2)o1 ZINC000269510561 274115422 /nfs/dbraw/zinc/11/54/22/274115422.db2.gz CKPRRMDZSQMUCG-UHFFFAOYSA-N -2 3 345.319 2.380 20 5 EEBDHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261853000 463878826 /nfs/dbraw/zinc/87/88/26/463878826.db2.gz JOTHUEAIZISYOS-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL COCc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000180789112 464395984 /nfs/dbraw/zinc/39/59/84/464395984.db2.gz CDPOUPZIZVFOMK-UHFFFAOYSA-N -2 3 327.680 2.341 20 5 EEBDHL Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1-c1nnn[n-]1 ZINC001609385301 1351954811 /nfs/dbraw/zinc/95/48/11/1351954811.db2.gz CTBOBKUSXIDBLR-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1-c1nn[n-]n1 ZINC001609385301 1351954814 /nfs/dbraw/zinc/95/48/14/1351954814.db2.gz CTBOBKUSXIDBLR-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL O=C([O-])c1cc(NC(=O)/C=C/c2cncc([O-])c2)cc([N+](=O)[O-])c1 ZINC001610650072 1352257519 /nfs/dbraw/zinc/25/75/19/1352257519.db2.gz DIACJOBTLDTGFE-OWOJBTEDSA-N -2 3 329.268 2.046 20 5 EEBDHL CCC[C@@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000584348800 468851898 /nfs/dbraw/zinc/85/18/98/468851898.db2.gz KYOZTNILQZJAHF-CQSZACIVSA-N -2 3 344.389 2.133 20 5 EEBDHL Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738482886 576482762 /nfs/dbraw/zinc/48/27/62/576482762.db2.gz QGVVFGJLTHICPA-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nc3ncnc-3c([S-])[n-]1)C2 ZINC001226779993 1301552276 /nfs/dbraw/zinc/55/22/76/1301552276.db2.gz BVMJCHSKJANYLO-JTQLQIEISA-N -2 3 329.341 2.096 20 5 EEBDHL CC[C@@H](C)n1nc([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC001609187400 1351882095 /nfs/dbraw/zinc/88/20/95/1351882095.db2.gz CPPDPCALXAMBIT-MRVPVSSYSA-N -2 3 343.351 2.389 20 5 EEBDHL Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(-c2nnn[n-]2)c1 ZINC001592030177 1349585181 /nfs/dbraw/zinc/58/51/81/1349585181.db2.gz KRXUWHUHRRDYOU-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(-c2nn[n-]n2)c1 ZINC001592030177 1349585184 /nfs/dbraw/zinc/58/51/84/1349585184.db2.gz KRXUWHUHRRDYOU-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL O=c1nc(C=Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352014895 162028962 /nfs/dbraw/zinc/02/89/62/162028962.db2.gz UIXYYKZNPWJIRX-VOTSOKGWSA-N -2 3 325.284 2.152 20 5 EEBDHL Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])[n-]2)o1 ZINC000164234044 463618989 /nfs/dbraw/zinc/61/89/89/463618989.db2.gz YFULOLBVHRPAGY-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2n[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])n2)o1 ZINC000164234044 463618997 /nfs/dbraw/zinc/61/89/97/463618997.db2.gz YFULOLBVHRPAGY-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])n[n-]2)o1 ZINC000164234044 463619004 /nfs/dbraw/zinc/61/90/04/463619004.db2.gz YFULOLBVHRPAGY-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccccc1-c1nnn[n-]1 ZINC000826461777 607884451 /nfs/dbraw/zinc/88/44/51/607884451.db2.gz GSRLFHNQGPOFHJ-WAYWQWQTSA-N -2 3 338.283 2.039 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccccc1-c1nn[n-]n1 ZINC000826461777 607884452 /nfs/dbraw/zinc/88/44/52/607884452.db2.gz GSRLFHNQGPOFHJ-WAYWQWQTSA-N -2 3 338.283 2.039 20 5 EEBDHL CC(C)OC(=O)N1CCC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228970626 1302552177 /nfs/dbraw/zinc/55/21/77/1302552177.db2.gz JOZSFZKVIXQGGI-UHFFFAOYSA-N -2 3 340.332 2.394 20 5 EEBDHL COC[C@H](C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234752997 1305019788 /nfs/dbraw/zinc/01/97/88/1305019788.db2.gz KVXZPALCAPJPAJ-QMMMGPOBSA-N -2 3 332.308 2.477 20 5 EEBDHL Cc1c([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnn1CC(C)C ZINC001591828435 1403953431 /nfs/dbraw/zinc/95/34/31/1403953431.db2.gz JVNUQJYUTAHVMM-UHFFFAOYSA-N -2 3 343.351 2.074 20 5 EEBDHL Cc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc([N+](=O)[O-])c1 ZINC000738339044 578010082 /nfs/dbraw/zinc/01/00/82/578010082.db2.gz QDWFYYIYCRGFGS-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001608915379 1351793540 /nfs/dbraw/zinc/79/35/40/1351793540.db2.gz SLZAJSHREBHDJR-UHFFFAOYSA-N -2 3 342.311 2.186 20 5 EEBDHL O=C([O-])c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001610838385 1352283099 /nfs/dbraw/zinc/28/30/99/1352283099.db2.gz XIABTVAIMSWFJU-UHFFFAOYSA-N -2 3 331.284 2.245 20 5 EEBDHL O=c1nc(C=Cc2csc(-c3ccccn3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352021495 162031285 /nfs/dbraw/zinc/03/12/85/162031285.db2.gz PUGRSOVRAUBYKX-PLNGDYQASA-N -2 3 343.324 2.485 20 5 EEBDHL O=C1OCC[C@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306363 1301775021 /nfs/dbraw/zinc/77/50/21/1301775021.db2.gz JCALCXSPOGOPAG-GFCCVEGCSA-N -2 3 328.276 2.052 20 5 EEBDHL CN1CC[C@@H](Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)C1 ZINC001234753996 1305020435 /nfs/dbraw/zinc/02/04/35/1305020435.db2.gz SEPCZNDLJFREJM-SNVBAGLBSA-N -2 3 343.335 2.146 20 5 EEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])cc1C ZINC000275010467 201275795 /nfs/dbraw/zinc/27/57/95/201275795.db2.gz PXPBHVKHJDFADZ-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000570042402 319631193 /nfs/dbraw/zinc/63/11/93/319631193.db2.gz LAQJTRZEHYASPM-AWEZNQCLSA-N -2 3 344.389 2.071 20 5 EEBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000319947400 466601298 /nfs/dbraw/zinc/60/12/98/466601298.db2.gz FPNPKMCGICUWND-UHFFFAOYSA-N -2 3 342.373 2.051 20 5 EEBDHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436777436 467554331 /nfs/dbraw/zinc/55/43/31/467554331.db2.gz NBJNMYKGRDNILX-UHFFFAOYSA-N -2 3 343.274 2.477 20 5 EEBDHL CCC[C@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000584348799 468851456 /nfs/dbraw/zinc/85/14/56/468851456.db2.gz KYOZTNILQZJAHF-AWEZNQCLSA-N -2 3 344.389 2.133 20 5 EEBDHL O=C(Nc1n[n-]c(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772809837 577298993 /nfs/dbraw/zinc/29/89/93/577298993.db2.gz ZIYBBMKKFMSXQJ-UHFFFAOYSA-N -2 3 331.313 2.399 20 5 EEBDHL O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1[N-]c1ccn(-c2ccccc2)n1 ZINC000823630111 606707542 /nfs/dbraw/zinc/70/75/42/606707542.db2.gz SBNICLPFOKGLKR-UHFFFAOYSA-N -2 3 349.314 2.099 20 5 EEBDHL C[C@@H]1[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973520 1302554359 /nfs/dbraw/zinc/55/43/59/1302554359.db2.gz KFWQTQDNRQGSBP-PRHODGIISA-N -2 3 340.332 2.393 20 5 EEBDHL Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(C(=O)[O-])n1 ZINC001600059443 1349963170 /nfs/dbraw/zinc/96/31/70/1349963170.db2.gz JGVGTUPZADPPFW-UHFFFAOYSA-N -2 3 325.277 2.449 20 5 EEBDHL CCO[C@H]1C[C@](NCc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837821 985498893 /nfs/dbraw/zinc/49/88/93/985498893.db2.gz KTADUSDQXLJEHH-BBRMVZONSA-N -2 3 338.360 2.048 20 5 EEBDHL CCCC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000262411895 282919143 /nfs/dbraw/zinc/91/91/43/282919143.db2.gz SNNDNAYQCARTIN-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL O=C1CC(Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234123691 1304752451 /nfs/dbraw/zinc/75/24/51/1304752451.db2.gz GSNXCHZPNNUSMA-UHFFFAOYSA-N -2 3 328.276 2.173 20 5 EEBDHL O=C([O-])Cn1cc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001595148829 952131229 /nfs/dbraw/zinc/13/12/29/952131229.db2.gz ZZEKWWMJHABJPO-UHFFFAOYSA-N -2 3 331.210 2.033 20 5 EEBDHL O=c1nc(C=Cc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352012330 162027044 /nfs/dbraw/zinc/02/70/44/162027044.db2.gz ATDSMFDGEQPQHJ-SREVYHEPSA-N -2 3 339.311 2.211 20 5 EEBDHL CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548240573 318367522 /nfs/dbraw/zinc/36/75/22/318367522.db2.gz DVGNAXDVSBIVJO-SECBINFHSA-N -2 3 330.362 2.471 20 5 EEBDHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770621865 577600134 /nfs/dbraw/zinc/60/01/34/577600134.db2.gz LSSHVRILKQBCQS-UHFFFAOYSA-N -2 3 332.297 2.378 20 5 EEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001228972520 1302554298 /nfs/dbraw/zinc/55/42/98/1302554298.db2.gz XLQWJUPCQQIIQI-ABAIWWIYSA-N -2 3 325.317 2.461 20 5 EEBDHL CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC001603306494 1350684547 /nfs/dbraw/zinc/68/45/47/1350684547.db2.gz CCCVGBYQKQZJBF-JTQLQIEISA-N -2 3 348.363 2.324 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548217768 318365770 /nfs/dbraw/zinc/36/57/70/318365770.db2.gz VXBIBGDHHGETCA-JTQLQIEISA-N -2 3 344.389 2.071 20 5 EEBDHL Cc1cccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000738691554 577109291 /nfs/dbraw/zinc/10/92/91/577109291.db2.gz DJPYHBSBTIUDDW-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL CC[C@@H](C)n1nc([N-]c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000825082389 608586860 /nfs/dbraw/zinc/58/68/60/608586860.db2.gz SSPKZVUXCIYTIS-MRVPVSSYSA-N -2 3 343.351 2.389 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(O[C@H]4CNCC4(F)F)cc3c([O-])c1-2 ZINC001218232273 1297608675 /nfs/dbraw/zinc/60/86/75/1297608675.db2.gz CCAPQUZAAORQLN-AWEZNQCLSA-N -2 3 349.289 2.343 20 5 EEBDHL CCO[C@H]1C[C@@](NCc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837827 985499137 /nfs/dbraw/zinc/49/91/37/985499137.db2.gz KTADUSDQXLJEHH-XJKSGUPXSA-N -2 3 338.360 2.048 20 5 EEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000320827126 466614407 /nfs/dbraw/zinc/61/44/07/466614407.db2.gz DITNOYRAPVOGBQ-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021363262 463036032 /nfs/dbraw/zinc/03/60/32/463036032.db2.gz NPYUPYAMZXSOHF-UHFFFAOYSA-N -2 3 338.341 2.500 20 5 EEBDHL COc1c([O-])ccc2c(=O)c3c(O[C@H]4C[C@@H](O)C4)cc([O-])cc3oc21 ZINC001218424397 1297659224 /nfs/dbraw/zinc/65/92/24/1297659224.db2.gz VETGLFPMWGVYEI-WAAGHKOSSA-N -2 3 344.319 2.268 20 5 EEBDHL O=C1OCC[C@@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306365 1301775938 /nfs/dbraw/zinc/77/59/38/1301775938.db2.gz JCALCXSPOGOPAG-LBPRGKRZSA-N -2 3 328.276 2.052 20 5 EEBDHL CC[C@H](O)C(=O)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227307334 1301776116 /nfs/dbraw/zinc/77/61/16/1301776116.db2.gz WBFMWDLOEWFVDK-VIFPVBQESA-N -2 3 330.292 2.034 20 5 EEBDHL O=c1nc(C=Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352029519 162036601 /nfs/dbraw/zinc/03/66/01/162036601.db2.gz ZVOWSZDHRDLNLP-VOTSOKGWSA-N -2 3 325.284 2.152 20 5 EEBDHL COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1[O-] ZINC000436513245 467543025 /nfs/dbraw/zinc/54/30/25/467543025.db2.gz MEDYQYXSPFGSNZ-UHFFFAOYSA-N -2 3 346.295 2.353 20 5 EEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(=O)cc([O-])[nH]1 ZINC000590446464 468259589 /nfs/dbraw/zinc/25/95/89/468259589.db2.gz VDBRTUONDCGMTG-UHFFFAOYSA-N -2 3 325.664 2.012 20 5 EEBDHL COc1c([O-])ccc2c1oc1cc([O-])cc(O[C@@H](C)CON)c1c2=O ZINC001234750663 1305018529 /nfs/dbraw/zinc/01/85/29/1305018529.db2.gz FNUNTWJXKJKFQS-QMMMGPOBSA-N -2 3 347.323 2.024 20 5 EEBDHL Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc(-c2nnn[n-]2)c1 ZINC001592032301 1349586274 /nfs/dbraw/zinc/58/62/74/1349586274.db2.gz YCMWXVBDMBVNNE-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc(-c2nn[n-]n2)c1 ZINC001592032301 1349586276 /nfs/dbraw/zinc/58/62/76/1349586276.db2.gz YCMWXVBDMBVNNE-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL COc1ccccc1C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001607345828 1351479103 /nfs/dbraw/zinc/47/91/03/1351479103.db2.gz ZLDLTPOYUYWIBW-NSHDSACASA-N -2 3 347.327 2.059 20 5 EEBDHL COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1[O-] ZINC000436904336 315011328 /nfs/dbraw/zinc/01/13/28/315011328.db2.gz YQYXALTXGRJNIC-UHFFFAOYSA-N -2 3 332.268 2.045 20 5 EEBDHL COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1[O-] ZINC000588096869 469115210 /nfs/dbraw/zinc/11/52/10/469115210.db2.gz PAUYZMOACQRGAZ-UHFFFAOYSA-N -2 3 339.691 2.321 20 5 EEBDHL O=C1OC[C@@H](COc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])O1 ZINC001227306869 1301775285 /nfs/dbraw/zinc/77/52/85/1301775285.db2.gz OMGKDFCAMCAAIE-MRVPVSSYSA-N -2 3 344.275 2.272 20 5 EEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3COCO3)c12 ZINC001234741648 1305016893 /nfs/dbraw/zinc/01/68/93/1305016893.db2.gz KCKAKSJVOAWRBA-JTQLQIEISA-N -2 3 330.292 2.109 20 5 EEBDHL O=C([O-])CCc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001602041162 1350424708 /nfs/dbraw/zinc/42/47/08/1350424708.db2.gz AHBBJZXOWMYEPD-UHFFFAOYSA-N -3 3 346.295 2.276 20 5 EEBDHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000578010353 320288782 /nfs/dbraw/zinc/28/87/82/320288782.db2.gz GDFFWWWODFOUIH-UHFFFAOYSA-N -2 3 344.389 2.215 20 5 EEBDHL COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000337798225 465588198 /nfs/dbraw/zinc/58/81/98/465588198.db2.gz XLXAXNNKMDZZLU-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001591862580 1349549268 /nfs/dbraw/zinc/54/92/68/1349549268.db2.gz DASGTHDBIUQGMU-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001591862580 1349549275 /nfs/dbraw/zinc/54/92/75/1349549275.db2.gz DASGTHDBIUQGMU-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Nc1ccc(S(=O)(=O)[N-]c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001201223146 1368795150 /nfs/dbraw/zinc/79/51/50/1368795150.db2.gz UZYMKDYSKZYJET-UHFFFAOYSA-N -2 3 343.748 2.337 20 5 EEBDHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001589521222 987165500 /nfs/dbraw/zinc/16/55/00/987165500.db2.gz KBZMRGWIRPLDPP-QMMMGPOBSA-N -2 3 331.284 2.136 20 5 EEBDHL O=C([O-])c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000238185278 160228750 /nfs/dbraw/zinc/22/87/50/160228750.db2.gz AYGLZSJLVNUQBF-UHFFFAOYSA-N -2 3 326.268 2.422 20 5 EEBDHL O=c1nc(C=Cc2cccc(-n3cccn3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000554389827 318553189 /nfs/dbraw/zinc/55/31/89/318553189.db2.gz LHOPFOKKCVBUBM-WAYWQWQTSA-N -2 3 325.284 2.152 20 5 EEBDHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569280 319947030 /nfs/dbraw/zinc/94/70/30/319947030.db2.gz PQZDZNAYJQBULT-ONGXEEELSA-N -2 3 342.373 2.150 20 5 EEBDHL CC(=O)[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125637 1304752894 /nfs/dbraw/zinc/75/28/94/1304752894.db2.gz VEWYGUJAWLAJHW-QMMMGPOBSA-N -2 3 330.292 2.419 20 5 EEBDHL CC(C)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575926720 320126106 /nfs/dbraw/zinc/12/61/06/320126106.db2.gz HNJURAGQMYIEBJ-UHFFFAOYSA-N -2 3 330.362 2.008 20 5 EEBDHL COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[n-]c(-c3ccco3)n2)c1 ZINC000358652507 465243703 /nfs/dbraw/zinc/24/37/03/465243703.db2.gz PSIRZXCTLFYHBB-UHFFFAOYSA-N -2 3 329.272 2.234 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(OC4CN(C)C4)cc3c(=O)c12 ZINC001234799777 1305027149 /nfs/dbraw/zinc/02/71/49/1305027149.db2.gz UQMMCGUEWALKLJ-UHFFFAOYSA-N -2 3 343.335 2.059 20 5 EEBDHL CCO[C@@H]1C[C@](NCc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837823 985499324 /nfs/dbraw/zinc/49/93/24/985499324.db2.gz KTADUSDQXLJEHH-CJNGLKHVSA-N -2 3 338.360 2.048 20 5 EEBDHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000739712428 576735473 /nfs/dbraw/zinc/73/54/73/576735473.db2.gz UZTPNBQBLMPARS-UHFFFAOYSA-N -2 3 336.329 2.106 20 5 EEBDHL O=C([O-])c1ccnc([N-]c2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000738696014 578024126 /nfs/dbraw/zinc/02/41/26/578024126.db2.gz STGISMSDFOEYBP-UHFFFAOYSA-N -2 3 331.210 2.190 20 5 EEBDHL O=C([O-])CCCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000739713152 578065176 /nfs/dbraw/zinc/06/51/76/578065176.db2.gz YZILDRIGJSKJLH-UHFFFAOYSA-N -2 3 336.329 2.106 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4C[C@@H](O)C4)cc3c(=O)c12 ZINC001218423674 1297659870 /nfs/dbraw/zinc/65/98/70/1297659870.db2.gz MQXKOGIVCYCMAO-WAAGHKOSSA-N -2 3 344.319 2.268 20 5 EEBDHL O=C([O-])c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC001608508690 1351706690 /nfs/dbraw/zinc/70/66/90/1351706690.db2.gz OFFFVNAMFGZTAE-UHFFFAOYSA-N -2 3 337.675 2.299 20 5 EEBDHL C[C@@H](Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001592878155 979748670 /nfs/dbraw/zinc/74/86/70/979748670.db2.gz VPRFYGVXDSZLHW-VIFPVBQESA-N -2 3 345.311 2.211 20 5 EEBDHL C[C@@](NC(=O)c1ccccc1[O-])(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178894 994059040 /nfs/dbraw/zinc/05/90/40/994059040.db2.gz IFDGSKIZLAEHEJ-INIZCTEOSA-N -2 3 330.296 2.030 20 5 EEBDHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1[O-] ZINC001599642852 994383694 /nfs/dbraw/zinc/38/36/94/994383694.db2.gz YMSSBOOPCJRWJU-UHFFFAOYSA-N -2 3 332.268 2.260 20 5 EEBDHL Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738664746 577074334 /nfs/dbraw/zinc/07/43/34/577074334.db2.gz OFVWBTBEEYJHBR-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL CC(C)CCn1ccc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000824249945 609553250 /nfs/dbraw/zinc/55/32/50/609553250.db2.gz YXGJSYZDWKCARA-UHFFFAOYSA-N -2 3 343.351 2.156 20 5 EEBDHL CC(C)(C)OC(=O)N1CC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228968991 1302550598 /nfs/dbraw/zinc/55/05/98/1302550598.db2.gz WAVJJPRZCCYIRW-UHFFFAOYSA-N -2 3 326.305 2.004 20 5 EEBDHL Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001592197389 1349603034 /nfs/dbraw/zinc/60/30/34/1349603034.db2.gz JUQZYKHISNDVLN-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL O=C([O-])Cc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001602153475 1350453220 /nfs/dbraw/zinc/45/32/20/1350453220.db2.gz RICHRIJJQLKJDJ-UHFFFAOYSA-N -2 3 325.277 2.070 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548292459 318371643 /nfs/dbraw/zinc/37/16/43/318371643.db2.gz IQIXAHUEGUHMSF-JTQLQIEISA-N -2 3 344.389 2.071 20 5 EEBDHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569278 319947025 /nfs/dbraw/zinc/94/70/25/319947025.db2.gz PQZDZNAYJQBULT-KOLCDFICSA-N -2 3 342.373 2.150 20 5 EEBDHL CC1(C)CC(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000581729849 324312527 /nfs/dbraw/zinc/31/25/27/324312527.db2.gz MJOZPRVLUCGROH-UHFFFAOYSA-N -2 3 342.373 2.008 20 5 EEBDHL Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[n-]2)o1 ZINC000160340171 463329719 /nfs/dbraw/zinc/32/97/19/463329719.db2.gz RMHRVIARLDDFDJ-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2n[n-]c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)o1 ZINC000160340171 463329723 /nfs/dbraw/zinc/32/97/23/463329723.db2.gz RMHRVIARLDDFDJ-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n[n-]2)o1 ZINC000160340171 463329724 /nfs/dbraw/zinc/32/97/24/463329724.db2.gz RMHRVIARLDDFDJ-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000322547520 466632679 /nfs/dbraw/zinc/63/26/79/466632679.db2.gz LZUGGAMFEHPZDV-LLVKDONJSA-N -2 3 344.389 2.071 20 5 EEBDHL COCC(COC)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234742584 1305016719 /nfs/dbraw/zinc/01/67/19/1305016719.db2.gz RIBPKHPHYRPJNM-UHFFFAOYSA-N -2 3 346.335 2.398 20 5 EEBDHL O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001593283477 1349762127 /nfs/dbraw/zinc/76/21/27/1349762127.db2.gz SKUOSHDHJSVDCW-UHFFFAOYSA-N -2 3 340.299 2.085 20 5 EEBDHL O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001593283477 1349762130 /nfs/dbraw/zinc/76/21/30/1349762130.db2.gz SKUOSHDHJSVDCW-UHFFFAOYSA-N -2 3 340.299 2.085 20 5 EEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000578241168 320303549 /nfs/dbraw/zinc/30/35/49/320303549.db2.gz WHMXKLTWAAOPJA-UHFFFAOYSA-N -2 3 340.357 2.072 20 5 EEBDHL CCC[C@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000568386945 468330192 /nfs/dbraw/zinc/33/01/92/468330192.db2.gz GOBMKSJIQXOUBU-AWEZNQCLSA-N -2 3 344.389 2.133 20 5 EEBDHL COc1c([O-])ccc2c(=O)c3c(O[C@H]4C[C@H](O)C4)cc([O-])cc3oc21 ZINC001218367474 1297644552 /nfs/dbraw/zinc/64/45/52/1297644552.db2.gz VETGLFPMWGVYEI-CZMCAQCFSA-N -2 3 344.319 2.268 20 5 EEBDHL C[C@H](OCCCCP(=O)([O-])[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225019712 1300832706 /nfs/dbraw/zinc/83/27/06/1300832706.db2.gz ABKPCXAFLFMHIF-VIFPVBQESA-N -2 3 347.260 2.359 20 5 EEBDHL O=c1nc(C=Cc2ccc(O[C@@H]3CCOC3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000594697701 468656728 /nfs/dbraw/zinc/65/67/28/468656728.db2.gz YDUXHKUOURSMBJ-GCLPIYDQSA-N -2 3 345.311 2.134 20 5 EEBDHL CCOC(=O)N1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228969893 1302549948 /nfs/dbraw/zinc/54/99/48/1302549948.db2.gz DUKCJEVTXYFNDK-SNVBAGLBSA-N -2 3 326.305 2.006 20 5 EEBDHL O=c1cc(O)cc2oc3c(ccc([O-])c3OC[C@@H]3CCO3)c([O-])c1-2 ZINC001234752702 1305019679 /nfs/dbraw/zinc/01/96/79/1305019679.db2.gz IOHJTJXLOBSTSR-VIFPVBQESA-N -2 3 330.292 2.231 20 5 EEBDHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567052816 319343932 /nfs/dbraw/zinc/34/39/32/319343932.db2.gz KCFQUKHZZCLZPD-SNVBAGLBSA-N -2 3 344.389 2.396 20 5 EEBDHL O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1nc3ncnc-3c([S-])[n-]1)C2 ZINC001226779996 1301552569 /nfs/dbraw/zinc/55/25/69/1301552569.db2.gz BVMJCHSKJANYLO-SNVBAGLBSA-N -2 3 329.341 2.096 20 5 EEBDHL O=C([O-])Cc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000238093764 160228092 /nfs/dbraw/zinc/22/80/92/160228092.db2.gz KUPSLITZTHCSLI-UHFFFAOYSA-N -2 3 340.295 2.351 20 5 EEBDHL O=c1[n-]cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1Br ZINC001210395684 1325264770 /nfs/dbraw/zinc/26/47/70/1325264770.db2.gz AZJXAIHRLSYNLX-UHFFFAOYSA-N -2 3 327.094 2.302 20 5 EEBDHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC001593282947 1349761986 /nfs/dbraw/zinc/76/19/86/1349761986.db2.gz HXGICNAVARHYRM-HNQUOIGGSA-N -2 3 344.312 2.100 20 5 EEBDHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC001593282947 1349761987 /nfs/dbraw/zinc/76/19/87/1349761987.db2.gz HXGICNAVARHYRM-HNQUOIGGSA-N -2 3 344.312 2.100 20 5 EEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1[O-] ZINC000026543739 463166503 /nfs/dbraw/zinc/16/65/03/463166503.db2.gz PNVVXXLCLIDWBP-UHFFFAOYSA-N -2 3 336.325 2.036 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(OC[C@@H]4COCO4)cc3c([O-])c1-2 ZINC001227307184 1301775247 /nfs/dbraw/zinc/77/52/47/1301775247.db2.gz SIGXXGXJGFXYJO-VIFPVBQESA-N -2 3 330.292 2.109 20 5 EEBDHL COC(=O)[C@H](Cc1ccccc1)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970666 1302551721 /nfs/dbraw/zinc/55/17/21/1302551721.db2.gz KDUHGSYIGAPPBB-AWEZNQCLSA-N -2 3 333.296 2.169 20 5 EEBDHL COC(=O)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228971983 1302553919 /nfs/dbraw/zinc/55/39/19/1302553919.db2.gz TZCRRUAZSKJVBH-CQSZACIVSA-N -2 3 337.259 2.438 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CSc1cccnc1-c1nnn[n-]1 ZINC001593480853 1349812949 /nfs/dbraw/zinc/81/29/49/1349812949.db2.gz AFXLTMVHUFMIIS-UHFFFAOYSA-N -2 3 330.329 2.168 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CSc1cccnc1-c1nn[n-]n1 ZINC001593480853 1349812955 /nfs/dbraw/zinc/81/29/55/1349812955.db2.gz AFXLTMVHUFMIIS-UHFFFAOYSA-N -2 3 330.329 2.168 20 5 EEBDHL C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677778 316411546 /nfs/dbraw/zinc/41/15/46/316411546.db2.gz ZJHFXVHIJCXSTG-ONGXEEELSA-N -2 3 342.373 2.008 20 5 EEBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000619467848 469617081 /nfs/dbraw/zinc/61/70/81/469617081.db2.gz JEEHRQCVHKMYOF-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL O=C1C[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])CO1 ZINC001227306189 1301775043 /nfs/dbraw/zinc/77/50/43/1301775043.db2.gz HEPBSVUTYWGING-QMMMGPOBSA-N -2 3 328.276 2.052 20 5 EEBDHL CN1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227307339 1301775902 /nfs/dbraw/zinc/77/59/02/1301775902.db2.gz WDGCGHSQBYHFCX-JTQLQIEISA-N -2 3 327.336 2.440 20 5 EEBDHL CCOC(=O)C(F)(F)[C@H](CC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969877 1302550022 /nfs/dbraw/zinc/55/00/22/1302550022.db2.gz DJWPAMRBEYBLDP-JTQLQIEISA-N -2 3 335.259 2.362 20 5 EEBDHL Cc1ccc(-c2nnc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)[n-]2)o1 ZINC000356805029 292031298 /nfs/dbraw/zinc/03/12/98/292031298.db2.gz POZKFDKHIZEVKQ-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2n[n-]c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)o1 ZINC000356805029 292031300 /nfs/dbraw/zinc/03/13/00/292031300.db2.gz POZKFDKHIZEVKQ-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000356805029 292031302 /nfs/dbraw/zinc/03/13/02/292031302.db2.gz POZKFDKHIZEVKQ-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC000277324656 463911508 /nfs/dbraw/zinc/91/15/08/463911508.db2.gz UUTXJWQWXPDTLK-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL CC[C@@H](O)C(=O)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234743065 1305017492 /nfs/dbraw/zinc/01/74/92/1305017492.db2.gz XHWCHXOETSFKKY-SNVBAGLBSA-N -2 3 330.292 2.034 20 5 EEBDHL O=C([O-])c1coc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001608988507 1351808737 /nfs/dbraw/zinc/80/87/37/1351808737.db2.gz LJOUVXDJHOTYRP-UHFFFAOYSA-N -2 3 340.238 2.294 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC001607081513 1351409962 /nfs/dbraw/zinc/40/99/62/1351409962.db2.gz CDUYPJAHRCJXJW-UHFFFAOYSA-N -2 3 330.329 2.168 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC001607081513 1351409964 /nfs/dbraw/zinc/40/99/64/1351409964.db2.gz CDUYPJAHRCJXJW-UHFFFAOYSA-N -2 3 330.329 2.168 20 5 EEBDHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000573364511 469116191 /nfs/dbraw/zinc/11/61/91/469116191.db2.gz LRTTWSPVDLTGIV-UHFFFAOYSA-N -2 3 344.389 2.215 20 5 EEBDHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1O ZINC000612997910 469604014 /nfs/dbraw/zinc/60/40/14/469604014.db2.gz MEQWMYXYASADNU-UHFFFAOYSA-N -2 3 338.341 2.424 20 5 EEBDHL CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228969882 1302550681 /nfs/dbraw/zinc/55/06/81/1302550681.db2.gz DJWPAMRBEYBLDP-SNVBAGLBSA-N -2 3 335.259 2.362 20 5 EEBDHL COc1ccccc1C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001607345827 1351479180 /nfs/dbraw/zinc/47/91/80/1351479180.db2.gz ZLDLTPOYUYWIBW-LLVKDONJSA-N -2 3 347.327 2.059 20 5 EEBDHL COCc1nocc1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000343035620 465468444 /nfs/dbraw/zinc/46/84/44/465468444.db2.gz VDEJBIRMSRMREV-UHFFFAOYSA-N -2 3 327.680 2.341 20 5 EEBDHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255107 469092614 /nfs/dbraw/zinc/09/26/14/469092614.db2.gz LFOQPAWPGBMFDK-ZJUUUORDSA-N -2 3 342.373 2.150 20 5 EEBDHL C[C@H]1[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973522 1302552907 /nfs/dbraw/zinc/55/29/07/1302552907.db2.gz KFWQTQDNRQGSBP-UFBFGSQYSA-N -2 3 340.332 2.393 20 5 EEBDHL Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001607727311 1351547364 /nfs/dbraw/zinc/54/73/64/1351547364.db2.gz APLZSALRORRCMO-KRWDZBQOSA-N -2 3 344.323 2.339 20 5 EEBDHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677775 316411216 /nfs/dbraw/zinc/41/12/16/316411216.db2.gz ZJHFXVHIJCXSTG-MWLCHTKSSA-N -2 3 342.373 2.008 20 5 EEBDHL CCCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000262411896 464021408 /nfs/dbraw/zinc/02/14/08/464021408.db2.gz SNNDNAYQCARTIN-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826250371 608166325 /nfs/dbraw/zinc/16/63/25/608166325.db2.gz XQXHVWMKDMRTPQ-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826250371 608166326 /nfs/dbraw/zinc/16/63/26/608166326.db2.gz XQXHVWMKDMRTPQ-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770466 1348933499 /nfs/dbraw/zinc/93/34/99/1348933499.db2.gz MQDCOLJPPGEPHQ-SOFGYWHQSA-N -2 3 339.315 2.139 20 5 EEBDHL CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770466 1348933503 /nfs/dbraw/zinc/93/35/03/1348933503.db2.gz MQDCOLJPPGEPHQ-SOFGYWHQSA-N -2 3 339.315 2.139 20 5 EEBDHL COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001201224886 1368796105 /nfs/dbraw/zinc/79/61/05/1368796105.db2.gz VIRLYVAPCQGRLD-UHFFFAOYSA-N -2 3 340.313 2.299 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000322547521 466632960 /nfs/dbraw/zinc/63/29/60/466632960.db2.gz LZUGGAMFEHPZDV-NSHDSACASA-N -2 3 344.389 2.071 20 5 EEBDHL O=c1ccc(O)c2oc3cc([O-])cc(OC[C@H]4CCO4)c3c([O-])c1-2 ZINC001234125867 1304752422 /nfs/dbraw/zinc/75/24/22/1304752422.db2.gz ZDAPQEYCUUGDCW-SECBINFHSA-N -2 3 330.292 2.231 20 5 EEBDHL O=C1C[C@H](Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)CO1 ZINC001234740787 1305016736 /nfs/dbraw/zinc/01/67/36/1305016736.db2.gz BAZOITINBDFRAK-VIFPVBQESA-N -2 3 328.276 2.052 20 5 EEBDHL COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])[n-]nc21 ZINC000436701757 467550917 /nfs/dbraw/zinc/55/09/17/467550917.db2.gz BMIGJQVPFZHLFZ-UHFFFAOYSA-N -2 3 328.284 2.438 20 5 EEBDHL COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])n[n-]c21 ZINC000436701757 467550918 /nfs/dbraw/zinc/55/09/18/467550918.db2.gz BMIGJQVPFZHLFZ-UHFFFAOYSA-N -2 3 328.284 2.438 20 5 EEBDHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000822220282 607201888 /nfs/dbraw/zinc/20/18/88/607201888.db2.gz KTYFBTDOHQEFBY-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000822220282 607201889 /nfs/dbraw/zinc/20/18/89/607201889.db2.gz KTYFBTDOHQEFBY-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL CCC(CC)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604019080 1350830747 /nfs/dbraw/zinc/83/07/47/1350830747.db2.gz FFDURJGLQPQLEG-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cccc1-c1nnn[n-]1 ZINC000822116876 787022012 /nfs/dbraw/zinc/02/20/12/787022012.db2.gz ZTTXWVKSXCTGGM-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cccc1-c1nn[n-]n1 ZINC000822116876 787022023 /nfs/dbraw/zinc/02/20/23/787022023.db2.gz ZTTXWVKSXCTGGM-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL O=c1nc(C=Cc2cnc(C(F)(F)F)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352027890 162035946 /nfs/dbraw/zinc/03/59/46/162035946.db2.gz RBMVPWOWDUHFHA-OWOJBTEDSA-N -2 3 334.235 2.442 20 5 EEBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000297346759 287839668 /nfs/dbraw/zinc/83/96/68/287839668.db2.gz YVQXBQJOZZXSFA-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000563711759 319038980 /nfs/dbraw/zinc/03/89/80/319038980.db2.gz AZDJYRQMHOYGJJ-LBPRGKRZSA-N -2 3 344.389 2.071 20 5 EEBDHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000349105672 465971249 /nfs/dbraw/zinc/97/12/49/465971249.db2.gz HAPLXMUSAKMDDK-GQCTYLIASA-N -2 3 345.311 2.205 20 5 EEBDHL O=c1cc(O)cc2oc3c(ccc([O-])c3OC[C@H]3C[C@H](O)C3)c([O-])c1-2 ZINC001218429111 1297662429 /nfs/dbraw/zinc/66/24/29/1297662429.db2.gz GXFAZUJNDCKREU-KYZUINATSA-N -2 3 344.319 2.213 20 5 EEBDHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001589521221 987165308 /nfs/dbraw/zinc/16/53/08/987165308.db2.gz KBZMRGWIRPLDPP-MRVPVSSYSA-N -2 3 331.284 2.136 20 5 EEBDHL COC(=O)c1cnc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[n-]1 ZINC001598917329 997497839 /nfs/dbraw/zinc/49/78/39/997497839.db2.gz NXNXHPPTPPIFHU-UHFFFAOYSA-N -2 3 337.313 2.095 20 5 EEBDHL CCN1CC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227307124 1301776033 /nfs/dbraw/zinc/77/60/33/1301776033.db2.gz RMRVDXJGYJBRMJ-UHFFFAOYSA-N -2 3 327.336 2.440 20 5 EEBDHL CN1CC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1 ZINC001227307343 1301776108 /nfs/dbraw/zinc/77/61/08/1301776108.db2.gz WDGCGHSQBYHFCX-SNVBAGLBSA-N -2 3 327.336 2.440 20 5 EEBDHL COC(=O)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001228971814 1302554250 /nfs/dbraw/zinc/55/42/50/1302554250.db2.gz RYAUNZBNSILYPF-AWEZNQCLSA-N -2 3 337.259 2.438 20 5 EEBDHL O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3COC[C@H]3F)c([O-])c1-2 ZINC001234753633 1305019745 /nfs/dbraw/zinc/01/97/45/1305019745.db2.gz QEHKJQYFRUHUNG-NOZJJQNGSA-N -2 3 348.282 2.179 20 5 EEBDHL CC[C@@H](C)n1ncc([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001609187535 1351882111 /nfs/dbraw/zinc/88/21/11/1351882111.db2.gz HRAQNOWINMPZJP-MRVPVSSYSA-N -2 3 343.351 2.389 20 5 EEBDHL O=C([O-])c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC001601595981 1350315365 /nfs/dbraw/zinc/31/53/65/1350315365.db2.gz ATDMMNXBECVPFH-UHFFFAOYSA-N -2 3 337.675 2.299 20 5 EEBDHL O=C(Nc1cc(Cl)c([O-])cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000345602695 161314950 /nfs/dbraw/zinc/31/49/50/161314950.db2.gz GCSKYFURRATRKT-UHFFFAOYSA-N -2 3 327.655 2.446 20 5 EEBDHL O=c1nc(C=Cc2cnc(C(F)(F)F)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352027891 162036047 /nfs/dbraw/zinc/03/60/47/162036047.db2.gz RBMVPWOWDUHFHA-UPHRSURJSA-N -2 3 334.235 2.442 20 5 EEBDHL COCc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000026547394 463167104 /nfs/dbraw/zinc/16/71/04/463167104.db2.gz RGFADVYQEHPRMW-UHFFFAOYSA-N -2 3 338.341 2.248 20 5 EEBDHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320966564 466615353 /nfs/dbraw/zinc/61/53/53/466615353.db2.gz NMKLADUCJWVXCG-WDEREUQCSA-N -2 3 344.389 2.153 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593284058 1349762768 /nfs/dbraw/zinc/76/27/68/1349762768.db2.gz WEROPYDMYYWLRP-UTCJRWHESA-N -2 3 338.283 2.039 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593284058 1349762771 /nfs/dbraw/zinc/76/27/71/1349762771.db2.gz WEROPYDMYYWLRP-UTCJRWHESA-N -2 3 338.283 2.039 20 5 EEBDHL Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1 ZINC001605823450 1351228913 /nfs/dbraw/zinc/22/89/13/1351228913.db2.gz HXALPONEJIKKKE-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1 ZINC001605823450 1351228914 /nfs/dbraw/zinc/22/89/14/1351228914.db2.gz HXALPONEJIKKKE-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL CCO[C@@H]1C[C@@](NCc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837825 985498960 /nfs/dbraw/zinc/49/89/60/985498960.db2.gz KTADUSDQXLJEHH-CZUORRHYSA-N -2 3 338.360 2.048 20 5 EEBDHL O=c1[n-]cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Br ZINC001199819528 1285820193 /nfs/dbraw/zinc/82/01/93/1285820193.db2.gz WTHQTOMFDNWJOJ-UHFFFAOYSA-N -2 3 327.094 2.302 20 5 EEBDHL O=C([O-])c1nsc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001601629328 1350323330 /nfs/dbraw/zinc/32/33/30/1350323330.db2.gz IPAMTIUOYWJBGA-UHFFFAOYSA-N -2 3 328.693 2.050 20 5 EEBDHL COC[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125691 1304752779 /nfs/dbraw/zinc/75/27/79/1304752779.db2.gz WRXCRQVTYGAMDS-QMMMGPOBSA-N -2 3 332.308 2.477 20 5 EEBDHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])s1 ZINC001600297820 1350014037 /nfs/dbraw/zinc/01/40/37/1350014037.db2.gz XORAMMWVQUKRAB-UHFFFAOYSA-N -2 3 348.402 2.031 20 5 EEBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1[N-]c1ccn(-c2ccccc2)n1 ZINC001593473297 1349808238 /nfs/dbraw/zinc/80/82/38/1349808238.db2.gz VKCVUBHYHMSVHV-UHFFFAOYSA-N -2 3 349.314 2.099 20 5 EEBDHL Cc1cc(=O)[n-]c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001600064296 1349964151 /nfs/dbraw/zinc/96/41/51/1349964151.db2.gz KWPHZZMWUCHXQU-UHFFFAOYSA-N -2 3 338.707 2.363 20 5 EEBDHL O=C([O-])c1coc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC001602550550 1350544049 /nfs/dbraw/zinc/54/40/49/1350544049.db2.gz IXYMULVGAYAJLC-UHFFFAOYSA-N -2 3 348.267 2.300 20 5 EEBDHL O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000157306827 463118525 /nfs/dbraw/zinc/11/85/25/463118525.db2.gz FIRWBKBZAKOWBA-UHFFFAOYSA-N -2 3 340.332 2.424 20 5 EEBDHL CC(C)Cc1nc(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000598190356 468790075 /nfs/dbraw/zinc/79/00/75/468790075.db2.gz BGQXJWVUCDQBKL-UHFFFAOYSA-N -2 3 346.372 2.195 20 5 EEBDHL CC(C)Cc1nc(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000598190356 468790081 /nfs/dbraw/zinc/79/00/81/468790081.db2.gz BGQXJWVUCDQBKL-UHFFFAOYSA-N -2 3 346.372 2.195 20 5 EEBDHL O=c1nc(C=Cc2csc(-c3ccccn3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352021496 162031362 /nfs/dbraw/zinc/03/13/62/162031362.db2.gz PUGRSOVRAUBYKX-SNAWJCMRSA-N -2 3 343.324 2.485 20 5 EEBDHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677772 316411431 /nfs/dbraw/zinc/41/14/31/316411431.db2.gz ZJHFXVHIJCXSTG-KOLCDFICSA-N -2 3 342.373 2.008 20 5 EEBDHL Cc1ccc(-c2nnc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)[n-]2)o1 ZINC000164965834 463637102 /nfs/dbraw/zinc/63/71/02/463637102.db2.gz GGINRRJMFWRQAM-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2n[n-]c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)o1 ZINC000164965834 463637105 /nfs/dbraw/zinc/63/71/05/463637105.db2.gz GGINRRJMFWRQAM-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n[n-]2)o1 ZINC000164965834 463637108 /nfs/dbraw/zinc/63/71/08/463637108.db2.gz GGINRRJMFWRQAM-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])cc1C ZINC000261638325 463812244 /nfs/dbraw/zinc/81/22/44/463812244.db2.gz CSUWNBYRTVGPPD-UHFFFAOYSA-N -2 3 344.389 2.133 20 5 EEBDHL CC(C)(C)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000357135053 465802275 /nfs/dbraw/zinc/80/22/75/465802275.db2.gz XNPSAGFUQPBEAG-UHFFFAOYSA-N -2 3 330.362 2.471 20 5 EEBDHL O=c1ncc([N+](=O)[O-])c(OC(=C([O-])c2ccco2)c2ccco2)[n-]1 ZINC001226330949 1301360860 /nfs/dbraw/zinc/36/08/60/1301360860.db2.gz FZBIQVFARPGQON-LBPRGKRZSA-N -2 3 331.240 2.279 20 5 EEBDHL Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844214886 788933350 /nfs/dbraw/zinc/93/33/50/788933350.db2.gz XHBRWVANAOUTGG-UHFFFAOYSA-N -2 3 345.237 2.350 20 5 EEBDHL O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131506880 292388748 /nfs/dbraw/zinc/38/87/48/292388748.db2.gz BJBYIAIHJNZMIA-UHFFFAOYSA-N -2 3 330.268 2.379 20 5 EEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000342380633 161060995 /nfs/dbraw/zinc/06/09/95/161060995.db2.gz IUBSURXMAFKARE-UHFFFAOYSA-N -2 3 344.370 2.480 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000579106522 323778868 /nfs/dbraw/zinc/77/88/68/323778868.db2.gz VRGWCRHVHVIARM-CQSZACIVSA-N -2 3 344.389 2.071 20 5 EEBDHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000751358231 577751088 /nfs/dbraw/zinc/75/10/88/577751088.db2.gz HSZDYUZGSSKWED-UHFFFAOYSA-N -2 3 328.263 2.166 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(O[C@H]4CCCOC4=O)cc3c([O-])c1-2 ZINC001227305877 1301775221 /nfs/dbraw/zinc/77/52/21/1301775221.db2.gz BJIKLCRMUPCWRW-ZDUSSCGKSA-N -2 3 342.303 2.442 20 5 EEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001228972523 1302553959 /nfs/dbraw/zinc/55/39/59/1302553959.db2.gz XLQWJUPCQQIIQI-XHDPSFHLSA-N -2 3 325.317 2.461 20 5 EEBDHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275012820 269084610 /nfs/dbraw/zinc/08/46/10/269084610.db2.gz QFNXJQYUIBBUQS-JTQLQIEISA-N -2 3 344.389 2.010 20 5 EEBDHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444846902 315329125 /nfs/dbraw/zinc/32/91/25/315329125.db2.gz IEXSJHYAFOZCMI-UHFFFAOYSA-N -2 3 341.283 2.043 20 5 EEBDHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000339122730 465094699 /nfs/dbraw/zinc/09/46/99/465094699.db2.gz MPVJJZNZPZPMJS-UHFFFAOYSA-N -2 3 341.283 2.043 20 5 EEBDHL CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)c1 ZINC000282567828 464869498 /nfs/dbraw/zinc/86/94/98/464869498.db2.gz ACEVLPNWGBPTIS-UHFFFAOYSA-N -2 3 345.237 2.383 20 5 EEBDHL COc1cc(CNCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1[O-] ZINC000617338533 469649474 /nfs/dbraw/zinc/64/94/74/469649474.db2.gz SWQVVXQMFBTHNQ-UHFFFAOYSA-N -2 3 332.312 2.297 20 5 EEBDHL CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000825082769 608587275 /nfs/dbraw/zinc/58/72/75/608587275.db2.gz VQIFBMQFCLWCKU-MRVPVSSYSA-N -2 3 343.351 2.389 20 5 EEBDHL C[C@H]1[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973521 1302553301 /nfs/dbraw/zinc/55/33/01/1302553301.db2.gz KFWQTQDNRQGSBP-QPUJVOFHSA-N -2 3 340.332 2.393 20 5 EEBDHL C[C@@H](O)CC(=O)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234740777 1305016855 /nfs/dbraw/zinc/01/68/55/1305016855.db2.gz AXNZBUIEUDHHOZ-MRVPVSSYSA-N -2 3 330.292 2.034 20 5 EEBDHL O=C1OCC[C@@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234742886 1305017212 /nfs/dbraw/zinc/01/72/12/1305017212.db2.gz TXMUWFZUEVPQKB-NSHDSACASA-N -2 3 328.276 2.052 20 5 EEBDHL O=C([O-])c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001609573202 1352021754 /nfs/dbraw/zinc/02/17/54/1352021754.db2.gz XUYWPAXVWGVLNE-UHFFFAOYSA-N -2 3 340.299 2.085 20 5 EEBDHL O=C([O-])c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001609573202 1352021757 /nfs/dbraw/zinc/02/17/57/1352021757.db2.gz XUYWPAXVWGVLNE-UHFFFAOYSA-N -2 3 340.299 2.085 20 5 EEBDHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000336876623 465070451 /nfs/dbraw/zinc/07/04/51/465070451.db2.gz UDQILPGGEQZPLA-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000560480667 468816909 /nfs/dbraw/zinc/81/69/09/468816909.db2.gz FHIYJOZTBITXKO-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL CCC(C)(C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593309804 468934881 /nfs/dbraw/zinc/93/48/81/468934881.db2.gz HZUNSLPFABFIQO-UHFFFAOYSA-N -2 3 330.362 2.008 20 5 EEBDHL CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000825976206 608521621 /nfs/dbraw/zinc/52/16/21/608521621.db2.gz GSNXUBBZXCJELQ-UHFFFAOYSA-N -2 3 340.343 2.113 20 5 EEBDHL CC[C@H](C)n1nc([N-]c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000825082391 608587288 /nfs/dbraw/zinc/58/72/88/608587288.db2.gz SSPKZVUXCIYTIS-QMMMGPOBSA-N -2 3 343.351 2.389 20 5 EEBDHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000362221945 465583127 /nfs/dbraw/zinc/58/31/27/465583127.db2.gz TYPNNOHQUQEPRM-SNVBAGLBSA-N -2 3 344.389 2.153 20 5 EEBDHL O=C([O-])[C@H]1CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc2C1 ZINC001608525919 1351710022 /nfs/dbraw/zinc/71/00/22/1351710022.db2.gz KHVOMAWQAKWOIF-LURJTMIESA-N -2 3 337.313 2.086 20 5 EEBDHL O=C([O-])C1CC2(C1)C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CCS2 ZINC001601787945 1350364735 /nfs/dbraw/zinc/36/47/35/1350364735.db2.gz FUZFVJMXTIGEQY-ZYTOWTHASA-N -2 3 339.373 2.236 20 5 EEBDHL O=C([O-])Cc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001610792887 1352275457 /nfs/dbraw/zinc/27/54/57/1352275457.db2.gz GYQJURMTYXPUMN-UHFFFAOYSA-N -2 3 341.279 2.317 20 5 EEBDHL CC(C)(C)CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603071327 1350632732 /nfs/dbraw/zinc/63/27/32/1350632732.db2.gz KNRPDBFQDZXHEQ-LLVKDONJSA-N -2 3 348.363 2.466 20 5 EEBDHL O=c1nc(C=Cc2ccc(O[C@H]3CCOC3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000594697726 468656638 /nfs/dbraw/zinc/65/66/38/468656638.db2.gz YDUXHKUOURSMBJ-RYBZSIHZSA-N -2 3 345.311 2.134 20 5 EEBDHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001609651629 1352050474 /nfs/dbraw/zinc/05/04/74/1352050474.db2.gz HVJVWWQBAWAPKJ-UHFFFAOYSA-N -2 3 345.311 2.310 20 5 EEBDHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001597464644 987898756 /nfs/dbraw/zinc/89/87/56/987898756.db2.gz NXGBIGWKWRKBNT-UHFFFAOYSA-N -2 3 331.284 2.208 20 5 EEBDHL C[C@](NC(=O)c1ccccc1[O-])(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178895 994059417 /nfs/dbraw/zinc/05/94/17/994059417.db2.gz IFDGSKIZLAEHEJ-MRXNPFEDSA-N -2 3 330.296 2.030 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000570042403 319631206 /nfs/dbraw/zinc/63/12/06/319631206.db2.gz LAQJTRZEHYASPM-CQSZACIVSA-N -2 3 344.389 2.071 20 5 EEBDHL CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570519002 319672988 /nfs/dbraw/zinc/67/29/88/319672988.db2.gz PHXOPFGRMYNBCI-UHFFFAOYSA-N -2 3 330.362 2.008 20 5 EEBDHL Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1 ZINC000738664666 578023212 /nfs/dbraw/zinc/02/32/12/578023212.db2.gz KKHUHHGMFISJMS-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001228972521 1302553579 /nfs/dbraw/zinc/55/35/79/1302553579.db2.gz XLQWJUPCQQIIQI-IAQYHMDHSA-N -2 3 325.317 2.461 20 5 EEBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C2CCCCCC2)c1[N+](=O)[O-] ZINC000519714435 316815435 /nfs/dbraw/zinc/81/54/35/316815435.db2.gz XKYOUVBQSODBIQ-UHFFFAOYSA-N -2 3 342.373 2.294 20 5 EEBDHL CCC[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548240574 318367526 /nfs/dbraw/zinc/36/75/26/318367526.db2.gz DVGNAXDVSBIVJO-VIFPVBQESA-N -2 3 330.362 2.471 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823387149 606389821 /nfs/dbraw/zinc/38/98/21/606389821.db2.gz DKCFVSULVUTYGO-HNQUOIGGSA-N -2 3 344.312 2.100 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4C[C@H](O)C4)cc3c(=O)c12 ZINC001218366324 1297644610 /nfs/dbraw/zinc/64/46/10/1297644610.db2.gz MQXKOGIVCYCMAO-CZMCAQCFSA-N -2 3 344.319 2.268 20 5 EEBDHL O=C1OC[C@@H](COc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)O1 ZINC001234742920 1305017145 /nfs/dbraw/zinc/01/71/45/1305017145.db2.gz VRCUMPXCEDSWGT-SECBINFHSA-N -2 3 344.275 2.272 20 5 EEBDHL COC(=O)[C@@H](C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234754774 1305020159 /nfs/dbraw/zinc/02/01/59/1305020159.db2.gz YNGRIRRKDPEDRF-SSDOTTSWSA-N -2 3 346.291 2.003 20 5 EEBDHL O=C([O-])c1cccc(OCc2cc(=O)[n-]c(C3CC3)n2)c1[N+](=O)[O-] ZINC001602450641 1350522090 /nfs/dbraw/zinc/52/20/90/1350522090.db2.gz NRJCNEUZWXQZOQ-UHFFFAOYSA-N -2 3 331.284 2.245 20 5 EEBDHL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001589531282 987201340 /nfs/dbraw/zinc/20/13/40/987201340.db2.gz CRCKWYSDSJUNLQ-QMMMGPOBSA-N -2 3 331.284 2.136 20 5 EEBDHL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590400036 468246838 /nfs/dbraw/zinc/24/68/38/468246838.db2.gz PRPOXALDECGODX-UHFFFAOYSA-N -2 3 341.283 2.043 20 5 EEBDHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000829346553 601404965 /nfs/dbraw/zinc/40/49/65/601404965.db2.gz ARYYJARKVZJJRS-LLVKDONJSA-N -2 3 348.352 2.046 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(OC[C@H]4COCO4)cc3c([O-])c1-2 ZINC001227307183 1301775153 /nfs/dbraw/zinc/77/51/53/1301775153.db2.gz SIGXXGXJGFXYJO-SECBINFHSA-N -2 3 330.292 2.109 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(O[C@@H]4COC[C@H]4F)cc3c([O-])c1-2 ZINC001227306120 1301775678 /nfs/dbraw/zinc/77/56/78/1301775678.db2.gz GCVGKAOATLOJEE-RFAUZJTJSA-N -2 3 332.283 2.473 20 5 EEBDHL CC(C)CCn1ccc([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589614186 1349010696 /nfs/dbraw/zinc/01/06/96/1349010696.db2.gz PRNOGKGLIXCUAE-UHFFFAOYSA-N -2 3 343.351 2.156 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000275054840 269089880 /nfs/dbraw/zinc/08/98/80/269089880.db2.gz HKXICLSAVCHTGK-JTQLQIEISA-N -2 3 344.389 2.071 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000579106516 468310946 /nfs/dbraw/zinc/31/09/46/468310946.db2.gz VRGWCRHVHVIARM-AWEZNQCLSA-N -2 3 344.389 2.071 20 5 EEBDHL Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000349115906 465978575 /nfs/dbraw/zinc/97/85/75/465978575.db2.gz XZXTZIPUWAQLMQ-HWKANZROSA-N -2 3 333.275 2.335 20 5 EEBDHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569277 469163448 /nfs/dbraw/zinc/16/34/48/469163448.db2.gz PQZDZNAYJQBULT-GXSJLCMTSA-N -2 3 342.373 2.150 20 5 EEBDHL COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000337792955 465585160 /nfs/dbraw/zinc/58/51/60/465585160.db2.gz UOPPLTFVBUTJAT-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225019709 1300832486 /nfs/dbraw/zinc/83/24/86/1300832486.db2.gz ABKPCXAFLFMHIF-SECBINFHSA-N -2 3 347.260 2.359 20 5 EEBDHL COc1cc(CNCc2ccccc2CC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000426693006 241328303 /nfs/dbraw/zinc/32/83/03/241328303.db2.gz XGWMUEONCDNMGM-UHFFFAOYSA-N -2 3 346.339 2.226 20 5 EEBDHL CCCC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262666460 152303666 /nfs/dbraw/zinc/30/36/66/152303666.db2.gz NLZVJKGEMIJMDU-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL COc1cc(CNCc2ccc(C(=O)[O-])c(C)n2)c([N+](=O)[O-])cc1[O-] ZINC000277198436 269142736 /nfs/dbraw/zinc/14/27/36/269142736.db2.gz GJZQSUZMXNPLGP-UHFFFAOYSA-N -2 3 347.327 2.000 20 5 EEBDHL CCC(CC)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000391286942 323546923 /nfs/dbraw/zinc/54/69/23/323546923.db2.gz NEQIHVCASOAYGP-UHFFFAOYSA-N -2 3 344.389 2.133 20 5 EEBDHL O=C([O-])Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000347742260 465201095 /nfs/dbraw/zinc/20/10/95/465201095.db2.gz SMOMDURSQOPGNA-UHFFFAOYSA-N -2 3 340.295 2.351 20 5 EEBDHL C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593312242 468935452 /nfs/dbraw/zinc/93/54/52/468935452.db2.gz RZWYZNTYUUWQQW-SECBINFHSA-N -2 3 344.389 2.396 20 5 EEBDHL O=C([N-]c1cnoc1)c1cc(C(=O)[N-]c2cnoc2)cc([N+](=O)[O-])c1 ZINC000613107086 469628762 /nfs/dbraw/zinc/62/87/62/469628762.db2.gz WLXBKUSVDTVITR-UHFFFAOYSA-N -2 3 343.255 2.075 20 5 EEBDHL O=C([O-])c1cc(C(=O)NCc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC000738672940 578023396 /nfs/dbraw/zinc/02/33/96/578023396.db2.gz NSFMYNYMDZIEQD-UHFFFAOYSA-N -2 3 334.259 2.068 20 5 EEBDHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255105 319918011 /nfs/dbraw/zinc/91/80/11/319918011.db2.gz LFOQPAWPGBMFDK-UWVGGRQHSA-N -2 3 342.373 2.150 20 5 EEBDHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088025 468641607 /nfs/dbraw/zinc/64/16/07/468641607.db2.gz QTPZRRYKZQIDHG-NXEZZACHSA-N -2 3 342.373 2.008 20 5 EEBDHL CCOC(=O)C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228970594 1302552568 /nfs/dbraw/zinc/55/25/68/1302552568.db2.gz IKWUQQLRWNAVNX-VIFPVBQESA-N -2 3 339.222 2.269 20 5 EEBDHL COc1c([O-])ccc2c1oc1cc([O-])cc(O[C@H](C)CON)c1c2=O ZINC001234750661 1305019560 /nfs/dbraw/zinc/01/95/60/1305019560.db2.gz FNUNTWJXKJKFQS-MRVPVSSYSA-N -2 3 347.323 2.024 20 5 EEBDHL O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837583964 1372792647 /nfs/dbraw/zinc/79/26/47/1372792647.db2.gz VFRJAICJPBVDDZ-UHFFFAOYSA-N -2 3 331.284 2.030 20 5 EEBDHL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1O ZINC000346508802 161378052 /nfs/dbraw/zinc/37/80/52/161378052.db2.gz SZMKHCNWAFZFEE-UHFFFAOYSA-N -2 3 338.341 2.424 20 5 EEBDHL CCCc1[nH]nc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)c1[N+](=O)[O-] ZINC000272364437 464578235 /nfs/dbraw/zinc/57/82/35/464578235.db2.gz SRBJPNQWCAWNIA-UHFFFAOYSA-N -2 3 345.319 2.209 20 5 EEBDHL O=C([O-])c1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c1 ZINC001610811336 1352278993 /nfs/dbraw/zinc/27/89/93/1352278993.db2.gz ZQBNBSKIMQYNMD-UHFFFAOYSA-N -2 3 344.255 2.334 20 5 EEBDHL CCOC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC000436973114 315018716 /nfs/dbraw/zinc/01/87/16/315018716.db2.gz RNKPLWPJTQIZEE-UHFFFAOYSA-N -2 3 346.295 2.435 20 5 EEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc([O-])c1 ZINC000536569881 318001434 /nfs/dbraw/zinc/00/14/34/318001434.db2.gz GQQMLLLOJKULBH-UHFFFAOYSA-N -2 3 338.341 2.140 20 5 EEBDHL Cc1cc(=O)[n-]c(C=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610475537 1352229000 /nfs/dbraw/zinc/22/90/00/1352229000.db2.gz ARTCTFPVFIKYEZ-HWKANZROSA-N -2 3 331.284 2.033 20 5 EEBDHL COc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000336871820 465063899 /nfs/dbraw/zinc/06/38/99/465063899.db2.gz IUJYSHZVTIACHQ-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000323879346 466641870 /nfs/dbraw/zinc/64/18/70/466641870.db2.gz MXXRZRQTOIYXGK-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL CN1CC[C@H](Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)C1 ZINC001234753990 1305019956 /nfs/dbraw/zinc/01/99/56/1305019956.db2.gz SEPCZNDLJFREJM-JTQLQIEISA-N -2 3 343.335 2.146 20 5 EEBDHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832425540 600974584 /nfs/dbraw/zinc/97/45/84/600974584.db2.gz ZNWGJQITISLIQO-UHFFFAOYSA-N -2 3 332.268 2.260 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccccc1-c1nnn[n-]1 ZINC000826461776 607884398 /nfs/dbraw/zinc/88/43/98/607884398.db2.gz GSRLFHNQGPOFHJ-AATRIKPKSA-N -2 3 338.283 2.039 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccccc1-c1nn[n-]n1 ZINC000826461776 607884399 /nfs/dbraw/zinc/88/43/99/607884399.db2.gz GSRLFHNQGPOFHJ-AATRIKPKSA-N -2 3 338.283 2.039 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC001593481331 1349813359 /nfs/dbraw/zinc/81/33/59/1349813359.db2.gz GUMUVOPSLFRSRX-UHFFFAOYSA-N -2 3 330.329 2.168 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC001593481331 1349813366 /nfs/dbraw/zinc/81/33/66/1349813366.db2.gz GUMUVOPSLFRSRX-UHFFFAOYSA-N -2 3 330.329 2.168 20 5 EEBDHL CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c([O-])c1 ZINC000436957855 315016859 /nfs/dbraw/zinc/01/68/59/315016859.db2.gz BFEQBJVYSBNRRX-UHFFFAOYSA-N -2 3 346.295 2.435 20 5 EEBDHL O=C(Nc1n[n-]c(-c2cccs2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768945984 577566274 /nfs/dbraw/zinc/56/62/74/577566274.db2.gz TXUPRNSULFYXAC-UHFFFAOYSA-N -2 3 331.313 2.399 20 5 EEBDHL CC(C)c1[nH]nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2[O-])c1[N+](=O)[O-] ZINC000770862324 577604966 /nfs/dbraw/zinc/60/49/66/577604966.db2.gz MXOKGJUIYMRRNM-UHFFFAOYSA-N -2 3 335.276 2.307 20 5 EEBDHL Cc1cc(=O)[n-]c(C=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610475538 1352229129 /nfs/dbraw/zinc/22/91/29/1352229129.db2.gz ARTCTFPVFIKYEZ-HYXAFXHYSA-N -2 3 331.284 2.033 20 5 EEBDHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000424384604 282120358 /nfs/dbraw/zinc/12/03/58/282120358.db2.gz BZALLWREPUADNC-UHFFFAOYSA-N -2 3 344.389 2.073 20 5 EEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000342617937 161078467 /nfs/dbraw/zinc/07/84/67/161078467.db2.gz QZQXZYSTKBSYBY-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000436644309 314983181 /nfs/dbraw/zinc/98/31/81/314983181.db2.gz ITPFKCVCSYWVLC-UHFFFAOYSA-N -2 3 331.284 2.246 20 5 EEBDHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677766 467948263 /nfs/dbraw/zinc/94/82/63/467948263.db2.gz ZJHFXVHIJCXSTG-GXSJLCMTSA-N -2 3 342.373 2.008 20 5 EEBDHL CC1(C)CC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000593309977 468934925 /nfs/dbraw/zinc/93/49/25/468934925.db2.gz IZTMCVJQVANRTC-UHFFFAOYSA-N -2 3 342.373 2.008 20 5 EEBDHL Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C(=O)[O-])[nH]1 ZINC000738453078 578015808 /nfs/dbraw/zinc/01/58/08/578015808.db2.gz VWSOPYGWBRAFBB-UHFFFAOYSA-N -2 3 329.272 2.058 20 5 EEBDHL O=C1CC[C@@H](COc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])O1 ZINC001227306181 1301775650 /nfs/dbraw/zinc/77/56/50/1301775650.db2.gz HBVHYZQJGAGSEK-VIFPVBQESA-N -2 3 342.303 2.442 20 5 EEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3COCOC3)c21 ZINC001234740696 1305016202 /nfs/dbraw/zinc/01/62/02/1305016202.db2.gz ANRPEUXRGLGWMI-UHFFFAOYSA-N -2 3 330.292 2.109 20 5 EEBDHL CC[C@H](O)C(=O)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234743064 1305018014 /nfs/dbraw/zinc/01/80/14/1305018014.db2.gz XHWCHXOETSFKKY-JTQLQIEISA-N -2 3 330.292 2.034 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001593482409 1349814005 /nfs/dbraw/zinc/81/40/05/1349814005.db2.gz RWEZFDMBXXCNTL-UHFFFAOYSA-N -2 3 338.327 2.043 20 5 EEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1[O-] ZINC000021363365 212221847 /nfs/dbraw/zinc/22/18/47/212221847.db2.gz IWJSPXAUTDTYCV-UHFFFAOYSA-N -2 3 330.268 2.379 20 5 EEBDHL Cc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000738519680 576531692 /nfs/dbraw/zinc/53/16/92/576531692.db2.gz JWTSFFGMJVNKKI-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513082 606398267 /nfs/dbraw/zinc/39/82/67/606398267.db2.gz UDMCOGCFUZSXTR-MRVPVSSYSA-N -2 3 328.288 2.021 20 5 EEBDHL CN(Cc1nc(=O)c2sccc2[n-]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001306922565 1331499031 /nfs/dbraw/zinc/49/90/31/1331499031.db2.gz OUSXITZPVOWTIX-UHFFFAOYSA-N -2 3 333.329 2.042 20 5 EEBDHL CCC(CC)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)[O-] ZINC001604019027 1350830310 /nfs/dbraw/zinc/83/03/10/1350830310.db2.gz BOEBBJLFDLVWNZ-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548292460 318371687 /nfs/dbraw/zinc/37/16/87/318371687.db2.gz IQIXAHUEGUHMSF-SNVBAGLBSA-N -2 3 344.389 2.071 20 5 EEBDHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569279 319946987 /nfs/dbraw/zinc/94/69/87/319946987.db2.gz PQZDZNAYJQBULT-MWLCHTKSSA-N -2 3 342.373 2.150 20 5 EEBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000296829273 294078037 /nfs/dbraw/zinc/07/80/37/294078037.db2.gz AZZUYTWDVGUFBG-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL O=c1nc(C=Cc2cccc(-n3cccn3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000554389823 318553415 /nfs/dbraw/zinc/55/34/15/318553415.db2.gz LHOPFOKKCVBUBM-AATRIKPKSA-N -2 3 325.284 2.152 20 5 EEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1C ZINC000274926386 269076319 /nfs/dbraw/zinc/07/63/19/269076319.db2.gz CAKIRXGZXWQNCK-SNVBAGLBSA-N -2 3 344.389 2.133 20 5 EEBDHL C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581947094 324348106 /nfs/dbraw/zinc/34/81/06/324348106.db2.gz MTNAVOGOZCKBRZ-SECBINFHSA-N -2 3 344.389 2.396 20 5 EEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535053624 468294849 /nfs/dbraw/zinc/29/48/49/468294849.db2.gz GAGSIUJETRGSSH-UHFFFAOYSA-N -3 3 342.304 2.254 20 5 EEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([O-])c1F ZINC000535053624 468294854 /nfs/dbraw/zinc/29/48/54/468294854.db2.gz GAGSIUJETRGSSH-UHFFFAOYSA-N -2 3 342.304 2.254 20 5 EEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCCC(=O)[O-])cc1C ZINC000299042059 465573140 /nfs/dbraw/zinc/57/31/40/465573140.db2.gz JUORNDJMMAAOLD-UHFFFAOYSA-N -2 3 344.389 2.135 20 5 EEBDHL O=C([N-]c1cnoc1)c1ccc(C(=O)[N-]c2cnoc2)c([N+](=O)[O-])c1 ZINC000618821845 469451754 /nfs/dbraw/zinc/45/17/54/469451754.db2.gz HRWHDDNQTHQVSJ-UHFFFAOYSA-N -2 3 343.255 2.075 20 5 EEBDHL COC(=O)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228971982 1302552969 /nfs/dbraw/zinc/55/29/69/1302552969.db2.gz TZCRRUAZSKJVBH-AWEZNQCLSA-N -2 3 337.259 2.438 20 5 EEBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001228972522 1302553039 /nfs/dbraw/zinc/55/30/39/1302553039.db2.gz XLQWJUPCQQIIQI-NHYWBVRUSA-N -2 3 325.317 2.461 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823387772 606304458 /nfs/dbraw/zinc/30/44/58/606304458.db2.gz XFEOANGEHYBRMH-UPHRSURJSA-N -2 3 344.312 2.100 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823387772 606304460 /nfs/dbraw/zinc/30/44/60/606304460.db2.gz XFEOANGEHYBRMH-UPHRSURJSA-N -2 3 344.312 2.100 20 5 EEBDHL CCC(CC)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609188921 1351883228 /nfs/dbraw/zinc/88/32/28/1351883228.db2.gz MNDZCAVVSIFHLG-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL CCC(CC)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)[O-] ZINC001609188921 1351883230 /nfs/dbraw/zinc/88/32/30/1351883230.db2.gz MNDZCAVVSIFHLG-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL O=C([O-])C1CC2(C1)C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CCS2 ZINC001601787944 1350364850 /nfs/dbraw/zinc/36/48/50/1350364850.db2.gz FUZFVJMXTIGEQY-PUUHTONNSA-N -2 3 339.373 2.236 20 5 EEBDHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262475409 152282810 /nfs/dbraw/zinc/28/28/10/152282810.db2.gz JOTHUEAIZISYOS-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000362221944 465582663 /nfs/dbraw/zinc/58/26/63/465582663.db2.gz TYPNNOHQUQEPRM-JTQLQIEISA-N -2 3 344.389 2.153 20 5 EEBDHL O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3CCOC3)c([O-])c1-2 ZINC001234752411 1305019912 /nfs/dbraw/zinc/01/99/12/1305019912.db2.gz HLMRQKSRABPQJC-SECBINFHSA-N -2 3 330.292 2.231 20 5 EEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000355811493 163309351 /nfs/dbraw/zinc/30/93/51/163309351.db2.gz MZZLCLQBHINXEV-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006755 320224031 /nfs/dbraw/zinc/22/40/31/320224031.db2.gz LDAVTBWUUCNWEG-MWLCHTKSSA-N -2 3 344.389 2.071 20 5 EEBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000297346765 465253931 /nfs/dbraw/zinc/25/39/31/465253931.db2.gz YVQXBQJOZZXSFA-NSHDSACASA-N -2 3 344.389 2.133 20 5 EEBDHL COc1c(F)cc(S(=O)(=O)[N-]c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000488279533 468079518 /nfs/dbraw/zinc/07/95/18/468079518.db2.gz OQBQCIYTGHMNDM-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL O=C(Nc1n[n-]c(-c2cccs2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755239946 577822330 /nfs/dbraw/zinc/82/23/30/577822330.db2.gz HBEGMHXFMZEYBQ-UHFFFAOYSA-N -2 3 331.313 2.399 20 5 EEBDHL O=C1OC[C@H](COc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])O1 ZINC001227306870 1301775341 /nfs/dbraw/zinc/77/53/41/1301775341.db2.gz OMGKDFCAMCAAIE-QMMMGPOBSA-N -2 3 344.275 2.272 20 5 EEBDHL O=c1nc(C=Cc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013030 162028763 /nfs/dbraw/zinc/02/87/63/162028763.db2.gz GFLASSUPGICPDX-QPJJXVBHSA-N -2 3 325.284 2.152 20 5 EEBDHL O=c1ccc(O)c2oc3cc([O-])cc(OC[C@H]4C[C@@H](O)C4)c3c([O-])c1-2 ZINC001218434373 1297663848 /nfs/dbraw/zinc/66/38/48/1297663848.db2.gz GKCUKCYFNGIUFP-DTORHVGOSA-N -2 3 344.319 2.213 20 5 EEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000342640794 161080038 /nfs/dbraw/zinc/08/00/38/161080038.db2.gz UQEFFVMWLLUAEP-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593312243 468935600 /nfs/dbraw/zinc/93/56/00/468935600.db2.gz RZWYZNTYUUWQQW-VIFPVBQESA-N -2 3 344.389 2.396 20 5 EEBDHL COC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125669 1304751609 /nfs/dbraw/zinc/75/16/09/1304751609.db2.gz WEVZSKNHWXNCIU-SSDOTTSWSA-N -2 3 346.291 2.003 20 5 EEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000355807357 163308060 /nfs/dbraw/zinc/30/80/60/163308060.db2.gz ASTTWVHVJQHMAA-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000548228081 318366389 /nfs/dbraw/zinc/36/63/89/318366389.db2.gz ANSPPYFVYSTBKZ-NSHDSACASA-N -2 3 344.389 2.215 20 5 EEBDHL CC(C)CCn1ccc([N-]c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000824249575 788108037 /nfs/dbraw/zinc/10/80/37/788108037.db2.gz PNOFZQBVTDAGEQ-UHFFFAOYSA-N -2 3 343.351 2.156 20 5 EEBDHL O=c1nc(C=Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352029518 162036649 /nfs/dbraw/zinc/03/66/49/162036649.db2.gz ZVOWSZDHRDLNLP-SREVYHEPSA-N -2 3 325.284 2.152 20 5 EEBDHL CC(C)(C)c1nc(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000354890658 163004354 /nfs/dbraw/zinc/00/43/54/163004354.db2.gz UQCYIGGGDXTANA-UHFFFAOYSA-N -2 3 346.372 2.294 20 5 EEBDHL CC(C)(C)c1nc(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000354890658 163004357 /nfs/dbraw/zinc/00/43/57/163004357.db2.gz UQCYIGGGDXTANA-UHFFFAOYSA-N -2 3 346.372 2.294 20 5 EEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000355812306 163309764 /nfs/dbraw/zinc/30/97/64/163309764.db2.gz NSPSORVYCQKYHN-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL O=[N+]([O-])c1ccc([C@H](OCCP(=O)([O-])[O-])C(F)(F)F)cc1 ZINC001224603491 1300665325 /nfs/dbraw/zinc/66/53/25/1300665325.db2.gz YYWSSDVAGXCUPN-VIFPVBQESA-N -2 3 329.167 2.393 20 5 EEBDHL O=C1C[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001228974096 1302552866 /nfs/dbraw/zinc/55/28/66/1302552866.db2.gz PJOINMYQDPCOFQ-ZDUSSCGKSA-N -2 3 344.323 2.186 20 5 EEBDHL COC(=O)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001228971816 1302552998 /nfs/dbraw/zinc/55/29/98/1302552998.db2.gz RYAUNZBNSILYPF-CQSZACIVSA-N -2 3 337.259 2.438 20 5 EEBDHL O=C([O-])c1nsc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001610712325 1352263356 /nfs/dbraw/zinc/26/33/56/1352263356.db2.gz UEJXHOFSEZXQDI-UHFFFAOYSA-N -2 3 328.693 2.050 20 5 EEBDHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006753 320224094 /nfs/dbraw/zinc/22/40/94/320224094.db2.gz LDAVTBWUUCNWEG-GXSJLCMTSA-N -2 3 344.389 2.071 20 5 EEBDHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000322403079 466632028 /nfs/dbraw/zinc/63/20/28/466632028.db2.gz VTKVZFMGEGOKEG-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL O=c1nc(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[n-]c(=O)[n-]1 ZINC001227571279 1301894791 /nfs/dbraw/zinc/89/47/91/1301894791.db2.gz RLXQPYCCMIPVBC-ZDUSSCGKSA-N -2 3 340.295 2.359 20 5 EEBDHL O=C([O-])c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000238226318 304263329 /nfs/dbraw/zinc/26/33/29/304263329.db2.gz ZUUXSYLSDNYVMK-UHFFFAOYSA-N -2 3 326.268 2.422 20 5 EEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1C ZINC000270498055 256141826 /nfs/dbraw/zinc/14/18/26/256141826.db2.gz NIDWBYLVNDPYJC-UHFFFAOYSA-N -2 3 344.389 2.135 20 5 EEBDHL O=c1ncc([N+](=O)[O-])c(OC(=C([O-])c2ccco2)c2ccco2)[n-]1 ZINC001226330937 1301360411 /nfs/dbraw/zinc/36/04/11/1301360411.db2.gz FZBIQVFARPGQON-GFCCVEGCSA-N -2 3 331.240 2.279 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(OC4CC(=O)C4)cc3c(=O)c12 ZINC001234801860 1305026603 /nfs/dbraw/zinc/02/66/03/1305026603.db2.gz UZACXPMJGSFCMV-UHFFFAOYSA-N -2 3 342.303 2.476 20 5 EEBDHL COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)CON)cc3c(=O)c12 ZINC001234801532 1305027697 /nfs/dbraw/zinc/02/76/97/1305027697.db2.gz SJQGFINIIMCUCM-MRVPVSSYSA-N -2 3 347.323 2.024 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC001600551811 1350080694 /nfs/dbraw/zinc/08/06/94/1350080694.db2.gz GBPXYEBQBBTOQF-UHFFFAOYSA-N -2 3 336.329 2.024 20 5 EEBDHL Cc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cccc1-c1nnn[n-]1 ZINC000822109294 787044216 /nfs/dbraw/zinc/04/42/16/787044216.db2.gz PQRBRVDPVSTSFW-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL Cc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cccc1-c1nn[n-]n1 ZINC000822109294 787044222 /nfs/dbraw/zinc/04/42/22/787044222.db2.gz PQRBRVDPVSTSFW-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001589531281 987201492 /nfs/dbraw/zinc/20/14/92/987201492.db2.gz CRCKWYSDSJUNLQ-MRVPVSSYSA-N -2 3 331.284 2.136 20 5 EEBDHL CCC[C@@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000568386946 319483932 /nfs/dbraw/zinc/48/39/32/319483932.db2.gz GOBMKSJIQXOUBU-CQSZACIVSA-N -2 3 344.389 2.133 20 5 EEBDHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000321142748 466618931 /nfs/dbraw/zinc/61/89/31/466618931.db2.gz UJBQELTUUGUMRF-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513083 606397929 /nfs/dbraw/zinc/39/79/29/606397929.db2.gz UDMCOGCFUZSXTR-QMMMGPOBSA-N -2 3 328.288 2.021 20 5 EEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1C ZINC000274926384 269076351 /nfs/dbraw/zinc/07/63/51/269076351.db2.gz CAKIRXGZXWQNCK-JTQLQIEISA-N -2 3 344.389 2.133 20 5 EEBDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000274995727 269082955 /nfs/dbraw/zinc/08/29/55/269082955.db2.gz ABCWPXJBLYAJSZ-NSHDSACASA-N -2 3 344.389 2.010 20 5 EEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000263563272 464130050 /nfs/dbraw/zinc/13/00/50/464130050.db2.gz TZJZREMMFHPLCK-UHFFFAOYSA-N -2 3 344.389 2.133 20 5 EEBDHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088027 468642195 /nfs/dbraw/zinc/64/21/95/468642195.db2.gz QTPZRRYKZQIDHG-VHSXEESVSA-N -2 3 342.373 2.008 20 5 EEBDHL COc1cc(CN=c2nc(CC(C)C)[n-]s2)c([N+](=O)[O-])cc1[O-] ZINC000594735617 468668187 /nfs/dbraw/zinc/66/81/87/468668187.db2.gz LASCIHIFNXPJIR-UHFFFAOYSA-N -2 3 338.389 2.393 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(OC[C@H]4COCCO4)cc3c([O-])c1-2 ZINC001227307676 1301774641 /nfs/dbraw/zinc/77/46/41/1301774641.db2.gz YGBQJZHRRODOBE-SNVBAGLBSA-N -2 3 344.319 2.152 20 5 EEBDHL CO[C@H](C)COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125616 1304752924 /nfs/dbraw/zinc/75/29/24/1304752924.db2.gz UJJSCXBSEXIVCM-MRVPVSSYSA-N -2 3 332.308 2.477 20 5 EEBDHL COc1c([O-])ccc2c(=O)c3c(OC4COC4)cc([O-])cc3oc21 ZINC001234750330 1305018444 /nfs/dbraw/zinc/01/84/44/1305018444.db2.gz XQDVMPCSKYVPOW-UHFFFAOYSA-N -2 3 330.292 2.144 20 5 EEBDHL O=C(Nc1nc(Br)ccc1[O-])c1ccc([N+](=O)[O-])[n-]1 ZINC000790043144 808342500 /nfs/dbraw/zinc/34/25/00/808342500.db2.gz NFXUOZJCEQQRSC-UHFFFAOYSA-N -2 3 327.094 2.038 20 5 EEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000342615042 161078040 /nfs/dbraw/zinc/07/80/40/161078040.db2.gz KILSIRMYJYNICY-UHFFFAOYSA-N -2 3 338.341 2.418 20 5 EEBDHL Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[n-]2)o1 ZINC000164966618 463637335 /nfs/dbraw/zinc/63/73/35/463637335.db2.gz IIIFWTLDAYPKQK-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2n[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n2)o1 ZINC000164966618 463637339 /nfs/dbraw/zinc/63/73/39/463637339.db2.gz IIIFWTLDAYPKQK-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n[n-]2)o1 ZINC000164966618 463637341 /nfs/dbraw/zinc/63/73/41/463637341.db2.gz IIIFWTLDAYPKQK-UHFFFAOYSA-N -2 3 329.272 2.239 20 5 EEBDHL Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000349115907 465978642 /nfs/dbraw/zinc/97/86/42/465978642.db2.gz XZXTZIPUWAQLMQ-HYXAFXHYSA-N -2 3 333.275 2.335 20 5 EEBDHL CCC(=O)c1ccc([O-])c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000436649655 467549036 /nfs/dbraw/zinc/54/90/36/467549036.db2.gz PJIALXDZJVDQJL-UHFFFAOYSA-N -2 3 331.284 2.246 20 5 EEBDHL CN(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)C(=O)[O-] ZINC000737485618 578260320 /nfs/dbraw/zinc/26/03/20/578260320.db2.gz XMZYMFMMPIKAPT-UHFFFAOYSA-N -2 3 346.299 2.058 20 5 EEBDHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826278614 609152052 /nfs/dbraw/zinc/15/20/52/609152052.db2.gz LQLSPNQYEZZTDL-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL CCCCn1ncc([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001590615816 1349376942 /nfs/dbraw/zinc/37/69/42/1349376942.db2.gz GATZAAIJIYOZKR-UHFFFAOYSA-N -2 3 343.351 2.219 20 5 EEBDHL COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[n-]1 ZINC000345337877 161293384 /nfs/dbraw/zinc/29/33/84/161293384.db2.gz RFIDWTIJVJXQPX-UHFFFAOYSA-N -2 3 339.691 2.321 20 5 EEBDHL COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1[O-] ZINC000358011326 466387043 /nfs/dbraw/zinc/38/70/43/466387043.db2.gz RRQFFCWHTQGNKZ-UHFFFAOYSA-N -2 3 334.284 2.276 20 5 EEBDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1[N+](=O)[O-] ZINC000348454644 152936815 /nfs/dbraw/zinc/93/68/15/152936815.db2.gz MULQCTBXNQHSJX-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL O=c1nc(C=Cc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352022544 162032925 /nfs/dbraw/zinc/03/29/25/162032925.db2.gz ZDXVOLHLQUVIBD-NSCUHMNNSA-N -2 3 333.691 2.268 20 5 EEBDHL O=C([O-])CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000321753485 466626542 /nfs/dbraw/zinc/62/65/42/466626542.db2.gz LTLFMRPZQHQUTO-UHFFFAOYSA-N -2 3 342.373 2.051 20 5 EEBDHL Cc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000826242189 609162993 /nfs/dbraw/zinc/16/29/93/609162993.db2.gz DRUVABJCADVTNT-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL O=c1ccc(O)c2oc3cc([O-])cc(OC[C@@H]4CCO4)c3c([O-])c1-2 ZINC001234125868 1304751898 /nfs/dbraw/zinc/75/18/98/1304751898.db2.gz ZDAPQEYCUUGDCW-VIFPVBQESA-N -2 3 330.292 2.231 20 5 EEBDHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1[N+](=O)[O-] ZINC001605870420 1351242774 /nfs/dbraw/zinc/24/27/74/1351242774.db2.gz GEIWQDJRGXDIOT-UHFFFAOYSA-N -2 3 340.299 2.041 20 5 EEBDHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320966563 466615725 /nfs/dbraw/zinc/61/57/25/466615725.db2.gz NMKLADUCJWVXCG-QWRGUYRKSA-N -2 3 344.389 2.153 20 5 EEBDHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001608513187 1351707831 /nfs/dbraw/zinc/70/78/31/1351707831.db2.gz ZXHKGJGUSNFKTI-NWDGAFQWSA-N -2 3 343.295 2.136 20 5 EEBDHL CSc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607409360 1351489973 /nfs/dbraw/zinc/48/99/73/1351489973.db2.gz ILVVGTRGXHQBLY-UHFFFAOYSA-N -2 3 349.324 2.368 20 5 EEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000355886154 153187885 /nfs/dbraw/zinc/18/78/85/153187885.db2.gz XLDGGSQMGKFSCV-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL NN1CCC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)CC1 ZINC001234741530 1305016492 /nfs/dbraw/zinc/01/64/92/1305016492.db2.gz JJBRGWBXLFJFDV-UHFFFAOYSA-N -2 3 342.351 2.074 20 5 EEBDHL O=C([O-])Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000238127881 160228056 /nfs/dbraw/zinc/22/80/56/160228056.db2.gz JZEQEDFEKSFREE-UHFFFAOYSA-N -2 3 340.295 2.351 20 5 EEBDHL O=c1nc(C=Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352014893 162028274 /nfs/dbraw/zinc/02/82/74/162028274.db2.gz UIXYYKZNPWJIRX-SREVYHEPSA-N -2 3 325.284 2.152 20 5 EEBDHL O=C1OC[C@H](COc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)O1 ZINC001234742921 1305017778 /nfs/dbraw/zinc/01/77/78/1305017778.db2.gz VRCUMPXCEDSWGT-VIFPVBQESA-N -2 3 344.275 2.272 20 5 EEBDHL COc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1[N+](=O)[O-] ZINC000534318641 468252288 /nfs/dbraw/zinc/25/22/88/468252288.db2.gz VAQHNJQYRDLVHA-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c([N+](=O)[O-])c1 ZINC000534886353 485550431 /nfs/dbraw/zinc/55/04/31/485550431.db2.gz IIRODTROBBJEAF-UHFFFAOYSA-N -2 3 342.304 2.249 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000548228080 318366428 /nfs/dbraw/zinc/36/64/28/318366428.db2.gz ANSPPYFVYSTBKZ-LLVKDONJSA-N -2 3 344.389 2.215 20 5 EEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc2nn[n-]c21 ZINC000188698285 464346148 /nfs/dbraw/zinc/34/61/48/464346148.db2.gz ODFOBKTZPLJSAG-UHFFFAOYSA-N -2 3 333.691 2.477 20 5 EEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc2[n-]nnc21 ZINC000188698285 464346154 /nfs/dbraw/zinc/34/61/54/464346154.db2.gz ODFOBKTZPLJSAG-UHFFFAOYSA-N -2 3 333.691 2.477 20 5 EEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc2n[n-]nc21 ZINC000188698285 464346158 /nfs/dbraw/zinc/34/61/58/464346158.db2.gz ODFOBKTZPLJSAG-UHFFFAOYSA-N -2 3 333.691 2.477 20 5 EEBDHL CCOC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c([O-])c1 ZINC000356574763 141020055 /nfs/dbraw/zinc/02/00/55/141020055.db2.gz IWOFINRQSGFBGX-UHFFFAOYSA-N -2 3 346.295 2.435 20 5 EEBDHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000320966561 466615933 /nfs/dbraw/zinc/61/59/33/466615933.db2.gz NMKLADUCJWVXCG-MNOVXSKESA-N -2 3 344.389 2.153 20 5 EEBDHL Cc1c([N-]S(=O)(=O)CCC2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000600654724 468612016 /nfs/dbraw/zinc/61/20/16/468612016.db2.gz CGRKSLDCPJWPDO-UHFFFAOYSA-N -2 3 328.346 2.143 20 5 EEBDHL O=c1nc(C=Cc2ccc(O[C@H]3CCOC3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000594697727 468657021 /nfs/dbraw/zinc/65/70/21/468657021.db2.gz YDUXHKUOURSMBJ-UXONFWTHSA-N -2 3 345.311 2.134 20 5 EEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768891520 577565178 /nfs/dbraw/zinc/56/51/78/577565178.db2.gz OQIMLVZOLSDXFF-UHFFFAOYSA-N -2 3 330.343 2.171 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823387152 606390140 /nfs/dbraw/zinc/39/01/40/606390140.db2.gz DKCFVSULVUTYGO-IWQZZHSRSA-N -2 3 344.312 2.100 20 5 EEBDHL Cc1[nH]nc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[N+](=O)[O-] ZINC000777771748 1297072851 /nfs/dbraw/zinc/07/28/51/1297072851.db2.gz QFWFGIJPXSZMPF-UHFFFAOYSA-N -2 3 341.667 2.146 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(OC[C@@H]4COCCO4)cc3c([O-])c1-2 ZINC001227307671 1301774998 /nfs/dbraw/zinc/77/49/98/1301774998.db2.gz YGBQJZHRRODOBE-JTQLQIEISA-N -2 3 344.319 2.152 20 5 EEBDHL COC(=O)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228971501 1302551828 /nfs/dbraw/zinc/55/18/28/1302551828.db2.gz PNWUQZQLTXXHBM-AWEZNQCLSA-N -2 3 337.259 2.438 20 5 EEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3COCCO3)c12 ZINC001234740972 1305016766 /nfs/dbraw/zinc/01/67/66/1305016766.db2.gz CVQSSTPISSHDDB-NSHDSACASA-N -2 3 344.319 2.152 20 5 EEBDHL CC[C@H](C)n1nc([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC001609187401 1351882477 /nfs/dbraw/zinc/88/24/77/1351882477.db2.gz CPPDPCALXAMBIT-QMMMGPOBSA-N -2 3 343.351 2.389 20 5 EEBDHL O=C([O-])c1cc([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)on1 ZINC001602281062 1350484886 /nfs/dbraw/zinc/48/48/86/1350484886.db2.gz YAAHKNSUEHXOSW-UHFFFAOYSA-N -2 3 327.199 2.012 20 5 EEBDHL O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1F ZINC001602300785 1350488313 /nfs/dbraw/zinc/48/83/13/1350488313.db2.gz VVCPIPNFSOWTFE-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445211604 315351952 /nfs/dbraw/zinc/35/19/52/315351952.db2.gz KQRIPQDRJZAUOB-UHFFFAOYSA-N -2 3 327.655 2.446 20 5 EEBDHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006754 320223910 /nfs/dbraw/zinc/22/39/10/320223910.db2.gz LDAVTBWUUCNWEG-KOLCDFICSA-N -2 3 344.389 2.071 20 5 EEBDHL O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3COCCO3)c12 ZINC001234740970 1305016286 /nfs/dbraw/zinc/01/62/86/1305016286.db2.gz CVQSSTPISSHDDB-LLVKDONJSA-N -2 3 344.319 2.152 20 5 EEBDHL CC(=O)[C@@H](C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234750187 1305018882 /nfs/dbraw/zinc/01/88/82/1305018882.db2.gz HFRFYZQENHXOMX-MRVPVSSYSA-N -2 3 330.292 2.419 20 5 EEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[n-]nc1-c1ccncc1 ZINC000356292852 163395535 /nfs/dbraw/zinc/39/55/35/163395535.db2.gz JZGPHQLHFMROAQ-UHFFFAOYSA-N -2 3 325.284 2.338 20 5 EEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn[n-]c1-c1ccncc1 ZINC000356292852 163395537 /nfs/dbraw/zinc/39/55/37/163395537.db2.gz JZGPHQLHFMROAQ-UHFFFAOYSA-N -2 3 325.284 2.338 20 5 EEBDHL Cc1nc(C=CC=Cc2ccccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-] ZINC000349107463 465972024 /nfs/dbraw/zinc/97/20/24/465972024.db2.gz JXWAPPXYAPNZKU-NINQLNBYSA-N -2 3 341.323 2.340 20 5 EEBDHL O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC001610841638 1352283560 /nfs/dbraw/zinc/28/35/60/1352283560.db2.gz NQTAOAJJPZNQPE-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])cc1C ZINC000275010465 269084668 /nfs/dbraw/zinc/08/46/68/269084668.db2.gz PXPBHVKHJDFADZ-LLVKDONJSA-N -2 3 344.389 2.133 20 5 EEBDHL CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1C(=O)[O-] ZINC000737348141 578251882 /nfs/dbraw/zinc/25/18/82/578251882.db2.gz IMWFTXZYQPHRLH-UHFFFAOYSA-N -2 3 340.295 2.446 20 5 EEBDHL O=c1cccc2oc3cc([O-])c(O[C@@H]4CCCOC4=O)cc3c([O-])c1-2 ZINC001227305876 1301773456 /nfs/dbraw/zinc/77/34/56/1301773456.db2.gz BJIKLCRMUPCWRW-CYBMUJFWSA-N -2 3 342.303 2.442 20 5 EEBDHL CN1CC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234118806 1304751152 /nfs/dbraw/zinc/75/11/52/1304751152.db2.gz JRNNLFSPFVGKHO-SNVBAGLBSA-N -2 3 343.335 2.146 20 5 EEBDHL O=C([O-])Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001608780695 1351762002 /nfs/dbraw/zinc/76/20/02/1351762002.db2.gz SAZPWTYQOMYUCZ-UHFFFAOYSA-N -2 3 344.327 2.207 20 5 EEBDHL CCOc1cc(C(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)on1 ZINC001597009526 1349916710 /nfs/dbraw/zinc/91/67/10/1349916710.db2.gz OOZQGJALBAWXKS-UHFFFAOYSA-N -2 3 335.272 2.240 20 5 EEBDHL Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001600876852 1350158415 /nfs/dbraw/zinc/15/84/15/1350158415.db2.gz OQNZFXHJWYCBBK-UHFFFAOYSA-N -2 3 337.313 2.324 20 5 EEBDHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000349105779 465973021 /nfs/dbraw/zinc/97/30/21/465973021.db2.gz HIXSJGIRAUYLRB-XQRVVYSFSA-N -2 3 345.311 2.205 20 5 EEBDHL CCC(CC)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000550616226 468219526 /nfs/dbraw/zinc/21/95/26/468219526.db2.gz DOOZORRRXZTWOJ-UHFFFAOYSA-N -2 3 344.389 2.133 20 5 EEBDHL O=C1OCCC[C@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234742518 1305016093 /nfs/dbraw/zinc/01/60/93/1305016093.db2.gz QNDRNXARYMQGPJ-GFCCVEGCSA-N -2 3 342.303 2.442 20 5 EEBDHL CO[C@H](C)COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234750757 1305019825 /nfs/dbraw/zinc/01/98/25/1305019825.db2.gz OGJCKNVWQKEEQQ-MRVPVSSYSA-N -2 3 332.308 2.477 20 5 EEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001608915749 1351793533 /nfs/dbraw/zinc/79/35/33/1351793533.db2.gz OIVVKDYUSFZSDX-UHFFFAOYSA-N -2 3 331.284 2.245 20 5 EEBDHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356291305 163395498 /nfs/dbraw/zinc/39/54/98/163395498.db2.gz HIDBYUMCRVQOSO-UHFFFAOYSA-N -2 3 336.329 2.079 20 5 EEBDHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000336862898 465056739 /nfs/dbraw/zinc/05/67/39/465056739.db2.gz AGRLCMWKSSHKHO-UHFFFAOYSA-N -2 3 340.288 2.233 20 5 EEBDHL Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001607727312 1351547419 /nfs/dbraw/zinc/54/74/19/1351547419.db2.gz APLZSALRORRCMO-QGZVFWFLSA-N -2 3 344.323 2.339 20 5 EEBDHL CC[C@H](C)n1ncc([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001609187536 1351881901 /nfs/dbraw/zinc/88/19/01/1351881901.db2.gz HRAQNOWINMPZJP-QMMMGPOBSA-N -2 3 343.351 2.389 20 5 EEBDHL CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001597899427 989770068 /nfs/dbraw/zinc/77/00/68/989770068.db2.gz KKAKFQOJHYHVLT-UHFFFAOYSA-N -2 3 340.242 2.040 20 5 EEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[n-]c2ccccc2c1=O ZINC000611294785 469222327 /nfs/dbraw/zinc/22/23/27/469222327.db2.gz KFWYAFSXUWGXGB-UHFFFAOYSA-N -2 3 325.280 2.394 20 5 EEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc2ccccc2c1[O-] ZINC000611294785 469222332 /nfs/dbraw/zinc/22/23/32/469222332.db2.gz KFWYAFSXUWGXGB-UHFFFAOYSA-N -2 3 325.280 2.394 20 5 EEBDHL CC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125636 1304751973 /nfs/dbraw/zinc/75/19/73/1304751973.db2.gz VEWYGUJAWLAJHW-MRVPVSSYSA-N -2 3 330.292 2.419 20 5 EEBDHL CCN1CC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1 ZINC001234748192 1305018947 /nfs/dbraw/zinc/01/89/47/1305018947.db2.gz QNLWSEGGHSDWIL-UHFFFAOYSA-N -2 3 327.336 2.440 20 5 EEBDHL O=c1nc(C=Cc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013029 162028949 /nfs/dbraw/zinc/02/89/49/162028949.db2.gz GFLASSUPGICPDX-DAXSKMNVSA-N -2 3 325.284 2.152 20 5 EEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000401352524 312452937 /nfs/dbraw/zinc/45/29/37/312452937.db2.gz YHXAZIKAFIJSAF-SNVBAGLBSA-N -2 3 344.389 2.071 20 5 EEBDHL O=C([O-])c1c([N-]S(=O)(=O)CCC2CCC2)cccc1[N+](=O)[O-] ZINC000563225529 318986113 /nfs/dbraw/zinc/98/61/13/318986113.db2.gz GCQWKTQXDLRPCL-UHFFFAOYSA-N -2 3 328.346 2.225 20 5 EEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1[O-] ZINC000072003601 463479187 /nfs/dbraw/zinc/47/91/87/463479187.db2.gz QOVUGVCAHRLTON-UHFFFAOYSA-N -2 3 330.268 2.379 20 5 EEBDHL O=c1cc(O)cc2oc3c(ccc([O-])c3OC[C@H]3CCO3)c([O-])c1-2 ZINC001234752700 1305020210 /nfs/dbraw/zinc/02/02/10/1305020210.db2.gz IOHJTJXLOBSTSR-SECBINFHSA-N -2 3 330.292 2.231 20 5 EEBDHL O=C([O-])c1cc(NC(=O)/C=C\c2cncc([O-])c2)cc([N+](=O)[O-])c1 ZINC001610650073 1352257338 /nfs/dbraw/zinc/25/73/38/1352257338.db2.gz DIACJOBTLDTGFE-UPHRSURJSA-N -2 3 329.268 2.046 20 5 EEBDHL O=[N+]([O-])c1ccc([O-])cc1CN1CCc2c1cccc2-c1nn[n-]n1 ZINC001593482440 1349814448 /nfs/dbraw/zinc/81/44/48/1349814448.db2.gz TWMHYTOTKIYBEK-UHFFFAOYSA-N -2 3 338.327 2.043 20 5 EEBDHL CCC(CC)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001604019598 1350830965 /nfs/dbraw/zinc/83/09/65/1350830965.db2.gz UMTNPETWIAMIOL-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL CCC(CC)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001604019598 1350830966 /nfs/dbraw/zinc/83/09/66/1350830966.db2.gz UMTNPETWIAMIOL-UHFFFAOYSA-N -2 3 334.336 2.078 20 5 EEBDHL