smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ncccc1NCC1([NH+]2CCCC2)COC1 ZINC001168444848 913287758 /nfs/dbraw/zinc/28/77/58/913287758.db2.gz LLQGKRVXYJAQHQ-UHFFFAOYSA-N 1 2 278.312 1.267 20 5 CDBDLO Cc1cnc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167616931 897048669 /nfs/dbraw/zinc/04/86/69/897048669.db2.gz SOUMZRSBUTUJTN-UHFFFAOYSA-N 1 2 259.269 1.888 20 5 CDBDLO Cc1cccc(O[C@@H]2C[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001218232551 898497450 /nfs/dbraw/zinc/49/74/50/898497450.db2.gz SBUHAFJALYLHIC-SECBINFHSA-N 1 2 258.224 1.889 20 5 CDBDLO COc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001164488790 924903304 /nfs/dbraw/zinc/90/33/04/924903304.db2.gz LBRKVMUCDQIRRD-UHFFFAOYSA-N 1 2 288.254 1.043 20 5 CDBDLO CCc1[nH]c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c[nH+]1 ZINC001156538047 938380932 /nfs/dbraw/zinc/38/09/32/938380932.db2.gz IPJBFVOAJFXKLU-UHFFFAOYSA-N 1 2 292.270 1.949 20 5 CDBDLO CCc1[nH]cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH+]1 ZINC001156538047 938380935 /nfs/dbraw/zinc/38/09/35/938380935.db2.gz IPJBFVOAJFXKLU-UHFFFAOYSA-N 1 2 292.270 1.949 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942627 941932721 /nfs/dbraw/zinc/93/27/21/941932721.db2.gz RVMPJXHXHCPWMS-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942627 941932724 /nfs/dbraw/zinc/93/27/24/941932724.db2.gz RVMPJXHXHCPWMS-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228003681 942255051 /nfs/dbraw/zinc/25/50/51/942255051.db2.gz DOFXCABTFQYVDM-SECBINFHSA-O 1 2 263.321 1.204 20 5 CDBDLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001230146871 942587902 /nfs/dbraw/zinc/58/79/02/942587902.db2.gz YSVCAWNKUOXKPR-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001230146871 942587906 /nfs/dbraw/zinc/58/79/06/942587906.db2.gz YSVCAWNKUOXKPR-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc(C)c([N+](=O)[O-])c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001231061939 942770854 /nfs/dbraw/zinc/77/08/54/942770854.db2.gz WIMWBCDFJLYTJK-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1ccc(C)c([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001231061939 942770858 /nfs/dbraw/zinc/77/08/58/942770858.db2.gz WIMWBCDFJLYTJK-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)n1 ZINC001231261254 942839124 /nfs/dbraw/zinc/83/91/24/942839124.db2.gz ZUGJSIXLSZUNDC-VIFPVBQESA-N 1 2 267.285 1.477 20 5 CDBDLO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)C2)n1 ZINC001231261254 942839127 /nfs/dbraw/zinc/83/91/27/942839127.db2.gz ZUGJSIXLSZUNDC-VIFPVBQESA-N 1 2 267.285 1.477 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CCCO3)C2 ZINC001254593191 947547046 /nfs/dbraw/zinc/54/70/46/947547046.db2.gz JSJUFOZVDRXMSF-CQSZACIVSA-N 1 2 274.320 1.927 20 5 CDBDLO C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254601123 947548817 /nfs/dbraw/zinc/54/88/17/947548817.db2.gz ZSYUBZUZHMIMLD-HZMBPMFUSA-N 1 2 274.320 1.973 20 5 CDBDLO C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254601123 947548824 /nfs/dbraw/zinc/54/88/24/947548824.db2.gz ZSYUBZUZHMIMLD-HZMBPMFUSA-N 1 2 274.320 1.973 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)CN(CCn1cc[nH+]c1)C2 ZINC001324644207 953492266 /nfs/dbraw/zinc/49/22/66/953492266.db2.gz JOXWXVUCMVBTMR-UHFFFAOYSA-N 1 2 258.281 1.807 20 5 CDBDLO Cc1nnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1C ZINC001329111879 955694110 /nfs/dbraw/zinc/69/41/10/955694110.db2.gz CCKBSODAKSSPHP-LBPRGKRZSA-N 1 2 287.323 1.809 20 5 CDBDLO O=[N+]([O-])c1cccc(OCCN2CCn3c[nH+]cc3C2)c1 ZINC000590599766 342579818 /nfs/dbraw/zinc/57/98/18/342579818.db2.gz OMTJJLXMMQDFAZ-UHFFFAOYSA-N 1 2 288.307 1.686 20 5 CDBDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592154661 342670129 /nfs/dbraw/zinc/67/01/29/342670129.db2.gz MLGYXVWJHXRMCI-ZYHUDNBSSA-N 1 2 293.279 1.239 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594438063 342905908 /nfs/dbraw/zinc/90/59/08/342905908.db2.gz ZETAFYCLLIAWNU-IINYFYTJSA-N 1 2 291.307 1.629 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccno3)CC2)cc1 ZINC000078309133 342335464 /nfs/dbraw/zinc/33/54/64/342335464.db2.gz LFWSQBZWBRUDOF-UHFFFAOYSA-N 1 2 288.307 1.905 20 5 CDBDLO Cc1c(C[N@@H+](C)Cc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000595760237 343143579 /nfs/dbraw/zinc/14/35/79/343143579.db2.gz QZCOLCDFGWPECT-UHFFFAOYSA-N 1 2 275.312 1.664 20 5 CDBDLO Cc1c(C[N@H+](C)Cc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000595760237 343143580 /nfs/dbraw/zinc/14/35/80/343143580.db2.gz QZCOLCDFGWPECT-UHFFFAOYSA-N 1 2 275.312 1.664 20 5 CDBDLO CC[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(=O)OC ZINC000602802339 344591852 /nfs/dbraw/zinc/59/18/52/344591852.db2.gz ZBLLSJOPHFIEHV-GFCCVEGCSA-N 1 2 284.316 1.031 20 5 CDBDLO Cc1nn(Cc2[nH+]ccn2C)c2ncc([N+](=O)[O-])cc12 ZINC000603329611 344776790 /nfs/dbraw/zinc/77/67/90/344776790.db2.gz XOOCMRSFNABZAF-UHFFFAOYSA-N 1 2 272.268 1.430 20 5 CDBDLO COc1cc(NC[C@@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000159863795 362545033 /nfs/dbraw/zinc/54/50/33/362545033.db2.gz MVSLUVKNQIDHGD-SECBINFHSA-N 1 2 299.302 1.485 20 5 CDBDLO COc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000159863795 362545039 /nfs/dbraw/zinc/54/50/39/362545039.db2.gz MVSLUVKNQIDHGD-SECBINFHSA-N 1 2 299.302 1.485 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000037148613 346346681 /nfs/dbraw/zinc/34/66/81/346346681.db2.gz VZPCSNINEQSEJM-JTQLQIEISA-N 1 2 287.323 1.983 20 5 CDBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412099040 365912220 /nfs/dbraw/zinc/91/22/20/365912220.db2.gz VZGCUDKKUGRPPM-QWRGUYRKSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412099040 365912227 /nfs/dbraw/zinc/91/22/27/365912227.db2.gz VZGCUDKKUGRPPM-QWRGUYRKSA-N 1 2 280.324 1.893 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)N(CC[NH+]1CCOCC1)CC2 ZINC000273420478 192143857 /nfs/dbraw/zinc/14/38/57/192143857.db2.gz RCHZELQSXDZTNP-UHFFFAOYSA-N 1 2 277.324 1.290 20 5 CDBDLO CCNC(=O)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000015307293 348523117 /nfs/dbraw/zinc/52/31/17/348523117.db2.gz ZSBHMTMHQSBRFP-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCNC(=O)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000015307293 348523119 /nfs/dbraw/zinc/52/31/19/348523119.db2.gz ZSBHMTMHQSBRFP-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000072667055 349127966 /nfs/dbraw/zinc/12/79/66/349127966.db2.gz JBHUKNSRQLCGJB-ZWNOBZJWSA-N 1 2 277.324 1.818 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000072667055 349127971 /nfs/dbraw/zinc/12/79/71/349127971.db2.gz JBHUKNSRQLCGJB-ZWNOBZJWSA-N 1 2 277.324 1.818 20 5 CDBDLO Cc1c(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000048556262 357190654 /nfs/dbraw/zinc/19/06/54/357190654.db2.gz PJMRVFGFYYWDFA-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1c(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000048556262 357190655 /nfs/dbraw/zinc/19/06/55/357190655.db2.gz PJMRVFGFYYWDFA-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO C[C@@H]1[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000408162687 358224594 /nfs/dbraw/zinc/22/45/94/358224594.db2.gz YMSIAQOBZOAHCO-ZJUUUORDSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000408162687 358224595 /nfs/dbraw/zinc/22/45/95/358224595.db2.gz YMSIAQOBZOAHCO-ZJUUUORDSA-N 1 2 293.323 1.465 20 5 CDBDLO COC(=O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000102826446 358892926 /nfs/dbraw/zinc/89/29/26/358892926.db2.gz LDJPYKQQHBDOPO-UHFFFAOYSA-N 1 2 282.296 1.515 20 5 CDBDLO Cn1ncnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338360163 359119032 /nfs/dbraw/zinc/11/90/32/359119032.db2.gz NEOIQYUJIGVTOL-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1ncnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338360163 359119039 /nfs/dbraw/zinc/11/90/39/359119039.db2.gz NEOIQYUJIGVTOL-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000048336811 359201544 /nfs/dbraw/zinc/20/15/44/359201544.db2.gz DJYLPFAYHYYXCT-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753472 366557292 /nfs/dbraw/zinc/55/72/92/366557292.db2.gz IIDTUMSJLJIDEF-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753472 366557300 /nfs/dbraw/zinc/55/73/00/366557300.db2.gz IIDTUMSJLJIDEF-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1c[nH+]c[nH]1 ZINC000088752954 366558401 /nfs/dbraw/zinc/55/84/01/366558401.db2.gz SHCQVIZCEXDORI-UHFFFAOYSA-N 1 2 260.253 1.177 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1c[nH]c[nH+]1 ZINC000088752954 366558407 /nfs/dbraw/zinc/55/84/07/366558407.db2.gz SHCQVIZCEXDORI-UHFFFAOYSA-N 1 2 260.253 1.177 20 5 CDBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC1 ZINC000441263893 368843105 /nfs/dbraw/zinc/84/31/05/368843105.db2.gz KDJXKEIVCOILOP-UHFFFAOYSA-N 1 2 289.335 1.792 20 5 CDBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC1 ZINC000441263893 368843112 /nfs/dbraw/zinc/84/31/12/368843112.db2.gz KDJXKEIVCOILOP-UHFFFAOYSA-N 1 2 289.335 1.792 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420950646 374308000 /nfs/dbraw/zinc/30/80/00/374308000.db2.gz GMMKASKOWQGSND-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420950646 374308007 /nfs/dbraw/zinc/30/80/07/374308007.db2.gz GMMKASKOWQGSND-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114454415 374313766 /nfs/dbraw/zinc/31/37/66/374313766.db2.gz SOHVHCXFNMKEIX-LBPRGKRZSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114454415 374313771 /nfs/dbraw/zinc/31/37/71/374313771.db2.gz SOHVHCXFNMKEIX-LBPRGKRZSA-N 1 2 294.307 1.611 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277173164 374775556 /nfs/dbraw/zinc/77/55/56/374775556.db2.gz KTWWHHXUVJVSGP-NSPYISDASA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277173164 374775561 /nfs/dbraw/zinc/77/55/61/374775561.db2.gz KTWWHHXUVJVSGP-NSPYISDASA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000331176865 374904546 /nfs/dbraw/zinc/90/45/46/374904546.db2.gz QBAJRNWLNBKOCI-OYHTYJOISA-N 1 2 296.392 1.979 20 5 CDBDLO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000331176865 374904551 /nfs/dbraw/zinc/90/45/51/374904551.db2.gz QBAJRNWLNBKOCI-OYHTYJOISA-N 1 2 296.392 1.979 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000280497210 374998857 /nfs/dbraw/zinc/99/88/57/374998857.db2.gz BUGAGLCFVZFLAR-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000280497210 374998861 /nfs/dbraw/zinc/99/88/61/374998861.db2.gz BUGAGLCFVZFLAR-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232679 375018283 /nfs/dbraw/zinc/01/82/83/375018283.db2.gz OYHKQBANPDQTLH-KGLIPLIRSA-N 1 2 295.314 1.249 20 5 CDBDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232679 375018288 /nfs/dbraw/zinc/01/82/88/375018288.db2.gz OYHKQBANPDQTLH-KGLIPLIRSA-N 1 2 295.314 1.249 20 5 CDBDLO CN1CCO[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232679 375018293 /nfs/dbraw/zinc/01/82/93/375018293.db2.gz OYHKQBANPDQTLH-KGLIPLIRSA-N 1 2 295.314 1.249 20 5 CDBDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232679 375018298 /nfs/dbraw/zinc/01/82/98/375018298.db2.gz OYHKQBANPDQTLH-KGLIPLIRSA-N 1 2 295.314 1.249 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCOCC1(C)C ZINC000170981987 375028747 /nfs/dbraw/zinc/02/87/47/375028747.db2.gz KBULNNJIRAWYKU-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCOCC1(C)C ZINC000170981987 375028751 /nfs/dbraw/zinc/02/87/51/375028751.db2.gz KBULNNJIRAWYKU-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO O=[N+]([O-])c1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000356343062 375835487 /nfs/dbraw/zinc/83/54/87/375835487.db2.gz RMOPRJIDCVIHMH-UHFFFAOYSA-N 1 2 259.265 1.516 20 5 CDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCn1cc[nH+]c1 ZINC000059410254 375935268 /nfs/dbraw/zinc/93/52/68/375935268.db2.gz MNHQNEZACYJDHY-UHFFFAOYSA-N 1 2 286.247 1.088 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190151219 377557466 /nfs/dbraw/zinc/55/74/66/377557466.db2.gz ODYPNXXOTKYHPQ-QMTHXVAHSA-N 1 2 291.351 1.989 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190151219 377557474 /nfs/dbraw/zinc/55/74/74/377557474.db2.gz ODYPNXXOTKYHPQ-QMTHXVAHSA-N 1 2 291.351 1.989 20 5 CDBDLO Cc1cc(N2CC(O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265440309 190182154 /nfs/dbraw/zinc/18/21/54/190182154.db2.gz ICJCGKNIOJXSRD-UHFFFAOYSA-N 1 2 286.291 1.541 20 5 CDBDLO COc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000444251361 250108350 /nfs/dbraw/zinc/10/83/50/250108350.db2.gz UTDUQYGZOKKLQC-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO COc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000444251361 250108352 /nfs/dbraw/zinc/10/83/52/250108352.db2.gz UTDUQYGZOKKLQC-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO CC[C@@](C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119469625 390453989 /nfs/dbraw/zinc/45/39/89/390453989.db2.gz RNIMYQZXMRIARV-GFCCVEGCSA-N 1 2 285.731 1.992 20 5 CDBDLO O=C1[C@@H]([N@@H+]2CC[C@H](F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451186980 390603024 /nfs/dbraw/zinc/60/30/24/390603024.db2.gz CEYBKCURMFRWOQ-GWCFXTLKSA-N 1 2 293.298 1.744 20 5 CDBDLO O=C1[C@@H]([N@H+]2CC[C@H](F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451186980 390603029 /nfs/dbraw/zinc/60/30/29/390603029.db2.gz CEYBKCURMFRWOQ-GWCFXTLKSA-N 1 2 293.298 1.744 20 5 CDBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])s2)[nH+]c1 ZINC000413347898 391204216 /nfs/dbraw/zinc/20/42/16/391204216.db2.gz MEWPEKSQMNNIJL-UHFFFAOYSA-N 1 2 264.310 1.831 20 5 CDBDLO Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000342225716 130397404 /nfs/dbraw/zinc/39/74/04/130397404.db2.gz IUYGHMRVRNQFLC-UHFFFAOYSA-N 1 2 275.312 1.748 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000430227369 393094624 /nfs/dbraw/zinc/09/46/24/393094624.db2.gz PHHVWVPEZTWPCH-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000430227369 393094631 /nfs/dbraw/zinc/09/46/31/393094631.db2.gz PHHVWVPEZTWPCH-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1cc[nH+]cc1Cn1cccc([N+](=O)[O-])c1=O ZINC000343838971 152320671 /nfs/dbraw/zinc/32/06/71/152320671.db2.gz ZPGUSTYNMGFRSQ-UHFFFAOYSA-N 1 2 261.237 1.208 20 5 CDBDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000346219417 153102221 /nfs/dbraw/zinc/10/22/21/153102221.db2.gz KGEWUUFCEOIYSQ-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000346219417 153102223 /nfs/dbraw/zinc/10/22/23/153102223.db2.gz KGEWUUFCEOIYSQ-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO C[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000046483352 175397189 /nfs/dbraw/zinc/39/71/89/175397189.db2.gz MANOESJDVKMCOH-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000135489695 279819282 /nfs/dbraw/zinc/81/92/82/279819282.db2.gz UTXMCIFAFZHXGN-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338630183 524037472 /nfs/dbraw/zinc/03/74/72/524037472.db2.gz GQPJVZKWTZYGGX-ZDUSSCGKSA-N 1 2 284.287 1.510 20 5 CDBDLO COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338630183 524037473 /nfs/dbraw/zinc/03/74/73/524037473.db2.gz GQPJVZKWTZYGGX-ZDUSSCGKSA-N 1 2 284.287 1.510 20 5 CDBDLO Cc1nn(C)c(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000049235978 527679838 /nfs/dbraw/zinc/67/98/38/527679838.db2.gz LNWUMQRCVOJYQZ-MRVPVSSYSA-N 1 2 264.289 1.334 20 5 CDBDLO COc1c(C(=O)NCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000121971258 536845404 /nfs/dbraw/zinc/84/54/04/536845404.db2.gz KIHGBYNVCPWALN-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO COc1c(C(=O)NCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000121971258 536845409 /nfs/dbraw/zinc/84/54/09/536845409.db2.gz KIHGBYNVCPWALN-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO CCOC1(C)CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000793546045 678550306 /nfs/dbraw/zinc/55/03/06/678550306.db2.gz JKELFOHLEXSWAO-UHFFFAOYSA-N 1 2 282.344 1.948 20 5 CDBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042691166 625971295 /nfs/dbraw/zinc/97/12/95/625971295.db2.gz QZXRUSQXFHLCOH-UHFFFAOYSA-N 1 2 297.742 1.959 20 5 CDBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042691166 625971297 /nfs/dbraw/zinc/97/12/97/625971297.db2.gz QZXRUSQXFHLCOH-UHFFFAOYSA-N 1 2 297.742 1.959 20 5 CDBDLO CC[NH2+]Cc1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000843145560 677898036 /nfs/dbraw/zinc/89/80/36/677898036.db2.gz KOHFAUILLWRFLQ-UHFFFAOYSA-N 1 2 278.268 1.666 20 5 CDBDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931662091 677967211 /nfs/dbraw/zinc/96/72/11/677967211.db2.gz JJYISTONWOGPLD-LLVKDONJSA-N 1 2 281.287 1.348 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317699775 678658844 /nfs/dbraw/zinc/65/88/44/678658844.db2.gz RZPRWKUDRMPWKO-BXKDBHETSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317699775 678658846 /nfs/dbraw/zinc/65/88/46/678658846.db2.gz RZPRWKUDRMPWKO-BXKDBHETSA-N 1 2 286.715 1.033 20 5 CDBDLO C[N@H+](CCOCC1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886037975 678855698 /nfs/dbraw/zinc/85/56/98/678855698.db2.gz QNJXXLAEZMLWPZ-UHFFFAOYSA-N 1 2 265.313 1.848 20 5 CDBDLO C[N@@H+](CCOCC1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886037975 678855700 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Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(=O)N(C)C ZINC000876542710 1165867660 /nfs/dbraw/zinc/86/76/60/1165867660.db2.gz ZNKYYKQOKTZFRH-UHFFFAOYSA-N 1 2 279.340 1.732 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])cn1 ZINC001225634496 903450411 /nfs/dbraw/zinc/45/04/11/903450411.db2.gz ZCNAPKOCKWKVAH-JTQLQIEISA-N 1 2 267.285 1.089 20 5 CDBDLO O=C1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@H]1F ZINC001169005363 927609236 /nfs/dbraw/zinc/60/92/36/927609236.db2.gz BGTHAKKGLZTIBC-GMTAPVOTSA-N 1 2 258.293 1.435 20 5 CDBDLO O=C1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@H]1F ZINC001169005363 927609241 /nfs/dbraw/zinc/60/92/41/927609241.db2.gz BGTHAKKGLZTIBC-GMTAPVOTSA-N 1 2 258.293 1.435 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001169035912 927645127 /nfs/dbraw/zinc/64/51/27/927645127.db2.gz DVQSUHWJWWWJTC-OPRDCNLKSA-N 1 2 282.262 1.695 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001169035912 927645130 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O=[N+]([O-])c1cc(N2CC[NH2+]CC(F)(F)C2)nc2[nH]ccc21 ZINC001164497379 939479325 /nfs/dbraw/zinc/47/93/25/939479325.db2.gz GTTREBXTAHCQBD-UHFFFAOYSA-N 1 2 297.265 1.516 20 5 CDBDLO Nc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1[N+](=O)[O-] ZINC001218277078 941050376 /nfs/dbraw/zinc/05/03/76/941050376.db2.gz BAVHADPBQRVYJM-MRVPVSSYSA-N 1 2 273.239 1.553 20 5 CDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1COC1C[NH+](C)C1 ZINC001223451078 941679148 /nfs/dbraw/zinc/67/91/48/941679148.db2.gz XYIWCARXVYBXFQ-UHFFFAOYSA-N 1 2 280.280 1.212 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226132058 941955230 /nfs/dbraw/zinc/95/52/30/941955230.db2.gz VOGCUWZFCYZSEM-VIFPVBQESA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226132058 941955233 /nfs/dbraw/zinc/95/52/33/941955233.db2.gz VOGCUWZFCYZSEM-VIFPVBQESA-N 1 2 287.703 1.353 20 5 CDBDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247961169 948894964 /nfs/dbraw/zinc/89/49/64/948894964.db2.gz 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ZINC000595299236 343027943 /nfs/dbraw/zinc/02/79/43/343027943.db2.gz XPJPYGPQZONZJD-SNVBAGLBSA-N 1 2 296.327 1.382 20 5 CDBDLO CC[C@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])CCCO1 ZINC000595470734 343072648 /nfs/dbraw/zinc/07/26/48/343072648.db2.gz RBLARFJSDMWJKD-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO CC[C@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CCCO1 ZINC000595470734 343072650 /nfs/dbraw/zinc/07/26/50/343072650.db2.gz RBLARFJSDMWJKD-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO CN1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000595790085 343156297 /nfs/dbraw/zinc/15/62/97/343156297.db2.gz ZZMGMXHQTZHWSA-UHFFFAOYSA-N 1 2 297.742 1.912 20 5 CDBDLO CN1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000595790085 343156300 /nfs/dbraw/zinc/15/63/00/343156300.db2.gz ZZMGMXHQTZHWSA-UHFFFAOYSA-N 1 2 297.742 1.912 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596166583 343257597 /nfs/dbraw/zinc/25/75/97/343257597.db2.gz VXYNDZYDCZIMBF-UHFFFAOYSA-N 1 2 277.284 1.418 20 5 CDBDLO COc1cccc(NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599160190 343970327 /nfs/dbraw/zinc/97/03/27/343970327.db2.gz GOEMIFBDKBJBOY-JTQLQIEISA-N 1 2 281.312 1.346 20 5 CDBDLO COc1cccc(NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599160190 343970330 /nfs/dbraw/zinc/97/03/30/343970330.db2.gz GOEMIFBDKBJBOY-JTQLQIEISA-N 1 2 281.312 1.346 20 5 CDBDLO CO[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091772212 345622700 /nfs/dbraw/zinc/62/27/00/345622700.db2.gz IHIPAHMSBVINQL-LBPRGKRZSA-N 1 2 266.297 1.911 20 5 CDBDLO CO[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091772212 345622704 /nfs/dbraw/zinc/62/27/04/345622704.db2.gz IHIPAHMSBVINQL-LBPRGKRZSA-N 1 2 266.297 1.911 20 5 CDBDLO CC(C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607333 365919329 /nfs/dbraw/zinc/91/93/29/365919329.db2.gz FUXWRSWWVAEERX-UHFFFAOYSA-N 1 2 277.324 1.478 20 5 CDBDLO CC(C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607333 365919334 /nfs/dbraw/zinc/91/93/34/365919334.db2.gz FUXWRSWWVAEERX-UHFFFAOYSA-N 1 2 277.324 1.478 20 5 CDBDLO C[C@H](CNc1ncccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380060 348887970 /nfs/dbraw/zinc/88/79/70/348887970.db2.gz ZLGBKFHLDIQHNU-SNVBAGLBSA-N 1 2 261.285 1.935 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000066563089 348989498 /nfs/dbraw/zinc/98/94/98/348989498.db2.gz GYKCXANCXFNSJD-GFCCVEGCSA-N 1 2 263.297 1.435 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000066563089 348989501 /nfs/dbraw/zinc/98/95/01/348989501.db2.gz GYKCXANCXFNSJD-GFCCVEGCSA-N 1 2 263.297 1.435 20 5 CDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292380457 198266521 /nfs/dbraw/zinc/26/65/21/198266521.db2.gz XJQSYKQLWANNMS-NSHDSACASA-N 1 2 298.364 1.461 20 5 CDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292380457 198266522 /nfs/dbraw/zinc/26/65/22/198266522.db2.gz XJQSYKQLWANNMS-NSHDSACASA-N 1 2 298.364 1.461 20 5 CDBDLO COc1cccc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925741 356661077 /nfs/dbraw/zinc/66/10/77/356661077.db2.gz JGDOTOUYSQEEQM-JTQLQIEISA-N 1 2 281.312 1.346 20 5 CDBDLO COc1cccc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925741 356661082 /nfs/dbraw/zinc/66/10/82/356661082.db2.gz JGDOTOUYSQEEQM-JTQLQIEISA-N 1 2 281.312 1.346 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000096470720 357478753 /nfs/dbraw/zinc/47/87/53/357478753.db2.gz FIGNEPRBBDAYLJ-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000188961984 357956479 /nfs/dbraw/zinc/95/64/79/357956479.db2.gz LFBAPHYIFGIGBV-UHFFFAOYSA-N 1 2 295.339 1.714 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCc1nccs1 ZINC000337989642 358657123 /nfs/dbraw/zinc/65/71/23/358657123.db2.gz FGGKGTDVOUBARW-UHFFFAOYSA-N 1 2 281.341 1.459 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCc1nccs1 ZINC000337989642 358657126 /nfs/dbraw/zinc/65/71/26/358657126.db2.gz FGGKGTDVOUBARW-UHFFFAOYSA-N 1 2 281.341 1.459 20 5 CDBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccncc1F ZINC000338361862 359118673 /nfs/dbraw/zinc/11/86/73/359118673.db2.gz WRJVJTKNAIDTNU-QMMMGPOBSA-N 1 2 279.275 1.713 20 5 CDBDLO Cc1c(C[NH2+][C@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000050418874 359452423 /nfs/dbraw/zinc/45/24/23/359452423.db2.gz MYMGFOFMJRMGFW-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000353157262 359495744 /nfs/dbraw/zinc/49/57/44/359495744.db2.gz DFOLJWFMYCAHDC-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179474896 189196610 /nfs/dbraw/zinc/19/66/10/189196610.db2.gz BBTRJCSBEWULJE-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000261995739 296028391 /nfs/dbraw/zinc/02/83/91/296028391.db2.gz NSJQEDYGKQSLKI-KOLCDFICSA-N 1 2 293.323 1.500 20 5 CDBDLO NC(=O)CC1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000297529681 239330844 /nfs/dbraw/zinc/33/08/44/239330844.db2.gz ZEQMYCLWVJYWFP-UHFFFAOYSA-N 1 2 283.715 1.555 20 5 CDBDLO CCOC1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295924310 370765769 /nfs/dbraw/zinc/76/57/69/370765769.db2.gz HOTLIISNIVKZLY-CYBMUJFWSA-N 1 2 266.297 1.349 20 5 CDBDLO COC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000103147466 364726603 /nfs/dbraw/zinc/72/66/03/364726603.db2.gz XVBMQJRYBBOFOC-ZDUSSCGKSA-N 1 2 294.307 1.011 20 5 CDBDLO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000103147466 364726605 /nfs/dbraw/zinc/72/66/05/364726605.db2.gz XVBMQJRYBBOFOC-ZDUSSCGKSA-N 1 2 294.307 1.011 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000269632484 373246744 /nfs/dbraw/zinc/24/67/44/373246744.db2.gz FZVHCLVJLDHAMO-KFWWJZLASA-N 1 2 292.335 1.882 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000269632484 373246750 /nfs/dbraw/zinc/24/67/50/373246750.db2.gz FZVHCLVJLDHAMO-KFWWJZLASA-N 1 2 292.335 1.882 20 5 CDBDLO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000225017476 373502006 /nfs/dbraw/zinc/50/20/06/373502006.db2.gz CODZLNNTUMQORB-VIFPVBQESA-N 1 2 281.312 1.370 20 5 CDBDLO CC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000191716476 373529174 /nfs/dbraw/zinc/52/91/74/373529174.db2.gz KDGIMTYZIYLVKC-UHFFFAOYSA-N 1 2 295.339 1.689 20 5 CDBDLO CC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000191716476 373529178 /nfs/dbraw/zinc/52/91/78/373529178.db2.gz KDGIMTYZIYLVKC-UHFFFAOYSA-N 1 2 295.339 1.689 20 5 CDBDLO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423729652 246009476 /nfs/dbraw/zinc/00/94/76/246009476.db2.gz MVWDTAKVEAJKFV-NXEZZACHSA-N 1 2 279.296 1.627 20 5 CDBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])cn1)CCC2 ZINC000371845760 374426251 /nfs/dbraw/zinc/42/62/51/374426251.db2.gz IHPHBXSLZNXLCG-JTQLQIEISA-N 1 2 288.311 1.301 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000093097791 374730868 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CN(CC[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000264144174 190092520 /nfs/dbraw/zinc/09/25/20/190092520.db2.gz VEIXFDHDARLMGH-UHFFFAOYSA-N 1 2 283.303 1.502 20 5 CDBDLO Cc1ccnc(NC[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265197869 190165127 /nfs/dbraw/zinc/16/51/27/190165127.db2.gz MELNWNXLKHCYRT-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO O=C(Nc1cc[nH+]cc1O)c1ccc([N+](=O)[O-])cc1F ZINC000345371733 378292656 /nfs/dbraw/zinc/29/26/56/378292656.db2.gz HMYUPMGHMIBNLS-UHFFFAOYSA-N 1 2 277.211 1.509 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1[nH+]ccn1C ZINC000288884436 197185007 /nfs/dbraw/zinc/18/50/07/197185007.db2.gz MQVGVPXKPKRBQQ-UHFFFAOYSA-N 1 2 264.289 1.465 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Cn1cc[nH+]c1 ZINC000153712486 390901775 /nfs/dbraw/zinc/90/17/75/390901775.db2.gz DWRWPMLNONEZNK-VIFPVBQESA-N 1 2 294.336 1.919 20 5 CDBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000128155612 390931719 /nfs/dbraw/zinc/93/17/19/390931719.db2.gz IOSPWONWUOUJKG-UHFFFAOYSA-N 1 2 298.262 1.960 20 5 CDBDLO CC(C)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272483746 392017533 /nfs/dbraw/zinc/01/75/33/392017533.db2.gz BHRMTUJYPPSARE-UHFFFAOYSA-N 1 2 291.351 1.690 20 5 CDBDLO CC(C)N1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272483746 392017538 /nfs/dbraw/zinc/01/75/38/392017538.db2.gz BHRMTUJYPPSARE-UHFFFAOYSA-N 1 2 291.351 1.690 20 5 CDBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459765655 392505560 /nfs/dbraw/zinc/50/55/60/392505560.db2.gz VLDOZNRZOFWWRO-VIFPVBQESA-N 1 2 276.296 1.885 20 5 CDBDLO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000132348428 393214459 /nfs/dbraw/zinc/21/44/59/393214459.db2.gz MDASWSRGRZTJST-UHFFFAOYSA-N 1 2 288.263 1.099 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299083532 397602267 /nfs/dbraw/zinc/60/22/67/397602267.db2.gz SJWGKUJGUOFSTA-QMMMGPOBSA-N 1 2 280.309 1.671 20 5 CDBDLO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286209428 296584403 /nfs/dbraw/zinc/58/44/03/296584403.db2.gz SNZLXYSSMFLVQH-PSASIEDQSA-N 1 2 279.296 1.028 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180999924 148173195 /nfs/dbraw/zinc/17/31/95/148173195.db2.gz YYRLLQIHUMXSOQ-UHFFFAOYSA-N 1 2 288.263 1.833 20 5 CDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCn2c[nH+]cc2C1 ZINC000368168974 159600991 /nfs/dbraw/zinc/60/09/91/159600991.db2.gz VUPGZNOTLGRWTF-ZZXKWVIFSA-N 1 2 298.302 1.847 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000373786009 160226998 /nfs/dbraw/zinc/22/69/98/160226998.db2.gz DVWYYPUFGDTOJW-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000373786009 160226999 /nfs/dbraw/zinc/22/69/99/160226999.db2.gz DVWYYPUFGDTOJW-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO Cc1c(C[N@@H+]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000071950983 176303817 /nfs/dbraw/zinc/30/38/17/176303817.db2.gz SVMMKQVJFSMDPA-CYBMUJFWSA-N 1 2 277.324 1.743 20 5 CDBDLO Cc1c(C[N@H+]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000071950983 176303818 /nfs/dbraw/zinc/30/38/18/176303818.db2.gz SVMMKQVJFSMDPA-CYBMUJFWSA-N 1 2 277.324 1.743 20 5 CDBDLO COc1cc(C[N@H+](C)C(C)(C)C(N)=O)c([N+](=O)[O-])cc1F ZINC000295745359 277376138 /nfs/dbraw/zinc/37/61/38/277376138.db2.gz QDUKZYXLVOYUQB-UHFFFAOYSA-N 1 2 299.302 1.438 20 5 CDBDLO COc1cc(C[N@@H+](C)C(C)(C)C(N)=O)c([N+](=O)[O-])cc1F ZINC000295745359 277376139 /nfs/dbraw/zinc/37/61/39/277376139.db2.gz QDUKZYXLVOYUQB-UHFFFAOYSA-N 1 2 299.302 1.438 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000057006288 279188030 /nfs/dbraw/zinc/18/80/30/279188030.db2.gz HJIIVIMGEDYIDJ-UHFFFAOYSA-N 1 2 289.295 1.291 20 5 CDBDLO COc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000134499911 279780456 /nfs/dbraw/zinc/78/04/56/279780456.db2.gz XNULOQBOLXPLTP-UHFFFAOYSA-N 1 2 290.279 1.299 20 5 CDBDLO O=[N+]([O-])c1ccccc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179590069 280374854 /nfs/dbraw/zinc/37/48/54/280374854.db2.gz PHODATKDGDWCRW-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000542480875 289545754 /nfs/dbraw/zinc/54/57/54/289545754.db2.gz FTJFXCVNPSNUHF-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286491680 297266567 /nfs/dbraw/zinc/26/65/67/297266567.db2.gz XKMLDNJPWDCZFD-VXGBXAGGSA-N 1 2 292.339 1.289 20 5 CDBDLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000576204886 317095063 /nfs/dbraw/zinc/09/50/63/317095063.db2.gz CRHVERLDEMOWQD-SNVBAGLBSA-N 1 2 288.307 1.748 20 5 CDBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccn[nH]2)n1 ZINC000578832503 324032363 /nfs/dbraw/zinc/03/23/63/324032363.db2.gz SQPXTJBXQIYIQQ-NWDGAFQWSA-N 1 2 290.327 1.788 20 5 CDBDLO Cc1cc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)no1 ZINC000370027429 525495539 /nfs/dbraw/zinc/49/55/39/525495539.db2.gz OAKIKZOMOSMOOZ-LBPRGKRZSA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1cc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)no1 ZINC000370027429 525495547 /nfs/dbraw/zinc/49/55/47/525495547.db2.gz OAKIKZOMOSMOOZ-LBPRGKRZSA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340903555 526077967 /nfs/dbraw/zinc/07/79/67/526077967.db2.gz IOSTZIKGWNPQKV-CMPLNLGQSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340903555 526077972 /nfs/dbraw/zinc/07/79/72/526077972.db2.gz IOSTZIKGWNPQKV-CMPLNLGQSA-N 1 2 293.323 1.297 20 5 CDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)OCCn1cc[nH+]c1 ZINC000771991079 575646417 /nfs/dbraw/zinc/64/64/17/575646417.db2.gz BYILUDYXIPENEU-UHFFFAOYSA-N 1 2 289.291 1.967 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000761214905 576560386 /nfs/dbraw/zinc/56/03/86/576560386.db2.gz PPPBXCASPLAWFE-UHFFFAOYSA-N 1 2 294.307 1.639 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000761214905 576560387 /nfs/dbraw/zinc/56/03/87/576560387.db2.gz PPPBXCASPLAWFE-UHFFFAOYSA-N 1 2 294.307 1.639 20 5 CDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000742179428 576584584 /nfs/dbraw/zinc/58/45/84/576584584.db2.gz BGBMJTNKMWWWBC-UHFFFAOYSA-N 1 2 289.295 1.314 20 5 CDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000742179428 576584587 /nfs/dbraw/zinc/58/45/87/576584587.db2.gz BGBMJTNKMWWWBC-UHFFFAOYSA-N 1 2 289.295 1.314 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c([N+](=O)[O-])cnn1C ZINC000891783408 617587081 /nfs/dbraw/zinc/58/70/81/617587081.db2.gz GGRJBZWLYHGHCC-QMMMGPOBSA-N 1 2 250.262 1.025 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000725789713 617851254 /nfs/dbraw/zinc/85/12/54/617851254.db2.gz MVPORTLSMYAAQU-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000725789713 617851259 /nfs/dbraw/zinc/85/12/59/617851259.db2.gz MVPORTLSMYAAQU-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO COc1ccc(C[NH2+]Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000894206176 618709167 /nfs/dbraw/zinc/70/91/67/618709167.db2.gz FIXBGSOJUDEBRA-UHFFFAOYSA-N 1 2 262.269 1.616 20 5 CDBDLO Cc1cnc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895246642 619492079 /nfs/dbraw/zinc/49/20/79/619492079.db2.gz OOTRGYCENRVFSG-YPMHNXCESA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1cnc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895246642 619492081 /nfs/dbraw/zinc/49/20/81/619492081.db2.gz OOTRGYCENRVFSG-YPMHNXCESA-N 1 2 293.371 1.344 20 5 CDBDLO C[N@H+](CC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000919942241 632699439 /nfs/dbraw/zinc/69/94/39/632699439.db2.gz NSKPUABJEBFDRO-UHFFFAOYSA-N 1 2 289.291 1.490 20 5 CDBDLO C[N@@H+](CC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000919942241 632699442 /nfs/dbraw/zinc/69/94/42/632699442.db2.gz NSKPUABJEBFDRO-UHFFFAOYSA-N 1 2 289.291 1.490 20 5 CDBDLO CC[N@H+](CCOC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000921046065 632872572 /nfs/dbraw/zinc/87/25/72/632872572.db2.gz GJXADMSEXXMWPD-UHFFFAOYSA-N 1 2 295.295 1.429 20 5 CDBDLO CC[N@@H+](CCOC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000921046065 632872575 /nfs/dbraw/zinc/87/25/75/632872575.db2.gz GJXADMSEXXMWPD-UHFFFAOYSA-N 1 2 295.295 1.429 20 5 CDBDLO COCC[N@H+](CCC(=O)OC)Cc1cccnc1[N+](=O)[O-] ZINC000886010329 681750381 /nfs/dbraw/zinc/75/03/81/681750381.db2.gz GZYBXSXYCQWLSC-UHFFFAOYSA-N 1 2 297.311 1.001 20 5 CDBDLO COCC[N@@H+](CCC(=O)OC)Cc1cccnc1[N+](=O)[O-] ZINC000886010329 681750392 /nfs/dbraw/zinc/75/03/92/681750392.db2.gz GZYBXSXYCQWLSC-UHFFFAOYSA-N 1 2 297.311 1.001 20 5 CDBDLO C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835468095 682168738 /nfs/dbraw/zinc/16/87/38/682168738.db2.gz YJUQEBYKARBKKX-LLVKDONJSA-N 1 2 289.291 1.753 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cn(C)nn1 ZINC000873101739 682840858 /nfs/dbraw/zinc/84/08/58/682840858.db2.gz ICUDJMZCNQTNLG-UHFFFAOYSA-N 1 2 275.312 1.630 20 5 CDBDLO CCn1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000823709170 682851735 /nfs/dbraw/zinc/85/17/35/682851735.db2.gz MJXAOGCTLXZOKA-UHFFFAOYSA-N 1 2 275.312 1.804 20 5 CDBDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791054073 683839162 /nfs/dbraw/zinc/83/91/62/683839162.db2.gz WWXYHNHWGYBAIL-UHFFFAOYSA-N 1 2 273.333 1.206 20 5 CDBDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791054073 683839169 /nfs/dbraw/zinc/83/91/69/683839169.db2.gz WWXYHNHWGYBAIL-UHFFFAOYSA-N 1 2 273.333 1.206 20 5 CDBDLO CCCc1[nH]nc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000796260190 684196828 /nfs/dbraw/zinc/19/68/28/684196828.db2.gz AXEDECVHKHCUOJ-UHFFFAOYSA-N 1 2 293.283 1.324 20 5 CDBDLO COc1ccc(C[C@@H](C)[NH2+]Cc2ncon2)c([N+](=O)[O-])c1 ZINC001170299698 1162328724 /nfs/dbraw/zinc/32/87/24/1162328724.db2.gz VLDOXBKPZPBEOV-SECBINFHSA-N 1 2 292.295 1.707 20 5 CDBDLO CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C1C[NH+](C)C1 ZINC001157456343 1162095466 /nfs/dbraw/zinc/09/54/66/1162095466.db2.gz OHSDOUABRZFFER-UHFFFAOYSA-N 1 2 286.719 1.022 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(=O)N(C)C ZINC000876542710 1165867655 /nfs/dbraw/zinc/86/76/55/1165867655.db2.gz ZNKYYKQOKTZFRH-UHFFFAOYSA-N 1 2 279.340 1.732 20 5 CDBDLO CCN1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001173234412 912325675 /nfs/dbraw/zinc/32/56/75/912325675.db2.gz RESKVRNAFMCYKX-GFCCVEGCSA-N 1 2 291.351 1.690 20 5 CDBDLO CCN1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001173234412 912325694 /nfs/dbraw/zinc/32/56/94/912325694.db2.gz RESKVRNAFMCYKX-GFCCVEGCSA-N 1 2 291.351 1.690 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1Cl ZINC000783678490 937277922 /nfs/dbraw/zinc/27/79/22/937277922.db2.gz JBIFQJJYILOGDM-VHSXEESVSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1Cl ZINC000783678490 937277923 /nfs/dbraw/zinc/27/79/23/937277923.db2.gz JBIFQJJYILOGDM-VHSXEESVSA-N 1 2 286.715 1.176 20 5 CDBDLO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000881923779 929918469 /nfs/dbraw/zinc/91/84/69/929918469.db2.gz NSYXYYZRYDALFC-NXEZZACHSA-N 1 2 298.318 1.650 20 5 CDBDLO COc1ncc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)n1 ZINC001161682650 938919913 /nfs/dbraw/zinc/91/99/13/938919913.db2.gz VMMJNXULCFAGRF-UHFFFAOYSA-N 1 2 278.272 1.092 20 5 CDBDLO Nc1cc(NCc2ccc3[nH+]ccn3c2)ncc1[N+](=O)[O-] ZINC001163139424 939210846 /nfs/dbraw/zinc/21/08/46/939210846.db2.gz OURPHPDCOKTLAQ-UHFFFAOYSA-N 1 2 284.279 1.832 20 5 CDBDLO O=c1cc[nH]c(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001225666804 941897667 /nfs/dbraw/zinc/89/76/67/941897667.db2.gz MSVLEVMEYBJCQJ-UHFFFAOYSA-N 1 2 285.275 1.508 20 5 CDBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3F)[C@H]1CC(=O)C2 ZINC001226266167 941978355 /nfs/dbraw/zinc/97/83/55/941978355.db2.gz QAHONNJLHRUQSX-MRCXROJRSA-N 1 2 294.282 1.917 20 5 CDBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3F)[C@H]1CC(=O)C2 ZINC001226266167 941978358 /nfs/dbraw/zinc/97/83/58/941978358.db2.gz QAHONNJLHRUQSX-MRCXROJRSA-N 1 2 294.282 1.917 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CS(=O)C3)C2 ZINC001254593194 947545204 /nfs/dbraw/zinc/54/52/04/947545204.db2.gz JTJJXEFRNSEGJU-CYBMUJFWSA-N 1 2 292.360 1.126 20 5 CDBDLO Cc1nc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC001327727860 955017343 /nfs/dbraw/zinc/01/73/43/955017343.db2.gz NKEMSUWMKAGNFC-ZJUUUORDSA-N 1 2 295.343 1.214 20 5 CDBDLO Cc1nc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC001327727860 955017355 /nfs/dbraw/zinc/01/73/55/955017355.db2.gz NKEMSUWMKAGNFC-ZJUUUORDSA-N 1 2 295.343 1.214 20 5 CDBDLO CC(C)n1cc2c(n1)[C@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC001352804062 967494425 /nfs/dbraw/zinc/49/44/25/967494425.db2.gz RBHSEAKATMSYRF-LLVKDONJSA-N 1 2 252.318 1.708 20 5 CDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H]2C1 ZINC000600218397 341986483 /nfs/dbraw/zinc/98/64/83/341986483.db2.gz QUEWAXAAUAJFIU-TXEJJXNPSA-N 1 2 298.302 1.872 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609150033 342092482 /nfs/dbraw/zinc/09/24/82/342092482.db2.gz BVOLZUCMHQOKRN-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] 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Cc1noc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595352868 343037873 /nfs/dbraw/zinc/03/78/73/343037873.db2.gz PWLPKQHCSPQTCX-KOLCDFICSA-N 1 2 299.352 1.598 20 5 CDBDLO Cc1noc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595352868 343037876 /nfs/dbraw/zinc/03/78/76/343037876.db2.gz PWLPKQHCSPQTCX-KOLCDFICSA-N 1 2 299.352 1.598 20 5 CDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000595397977 343048278 /nfs/dbraw/zinc/04/82/78/343048278.db2.gz YRWPEJISSGPHLN-JTQLQIEISA-N 1 2 267.260 1.054 20 5 CDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000595397977 343048281 /nfs/dbraw/zinc/04/82/81/343048281.db2.gz YRWPEJISSGPHLN-JTQLQIEISA-N 1 2 267.260 1.054 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000619531789 349792861 /nfs/dbraw/zinc/79/28/61/349792861.db2.gz PJYGURHIRRJXRG-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000619531789 349792864 /nfs/dbraw/zinc/79/28/64/349792864.db2.gz 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CC[N@H+](CC(=O)NC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734849181 575387897 /nfs/dbraw/zinc/38/78/97/575387897.db2.gz YMLUXPJKNTXCFZ-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734849181 575387899 /nfs/dbraw/zinc/38/78/99/575387899.db2.gz YMLUXPJKNTXCFZ-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000771941063 575639827 /nfs/dbraw/zinc/63/98/27/575639827.db2.gz QKJDLMQDDRDRDU-UHFFFAOYSA-N 1 2 275.264 1.957 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000768153583 576261595 /nfs/dbraw/zinc/26/15/95/576261595.db2.gz ZNEFVONMUWJGCD-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC[N+](=O)[O-])C2 ZINC000930753163 617532199 /nfs/dbraw/zinc/53/21/99/617532199.db2.gz DHOJASFZWVCYBI-UHFFFAOYSA-N 1 2 280.324 1.945 20 5 CDBDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC[N+](=O)[O-])C2 ZINC000930753163 617532200 /nfs/dbraw/zinc/53/22/00/617532200.db2.gz 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C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000246463251 723640116 /nfs/dbraw/zinc/64/01/16/723640116.db2.gz FUKDZPSNMUDJCO-VXGBXAGGSA-N 1 2 290.327 1.528 20 5 CDBDLO CSC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000872626745 1165459708 /nfs/dbraw/zinc/45/97/08/1165459708.db2.gz NHIIBLCKVTYDPJ-UHFFFAOYSA-N 1 2 256.331 1.576 20 5 CDBDLO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001120809195 912547753 /nfs/dbraw/zinc/54/77/53/912547753.db2.gz LCFBLTNHNVWWBJ-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001120809195 912547770 /nfs/dbraw/zinc/54/77/70/912547770.db2.gz LCFBLTNHNVWWBJ-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cc(Nc2nccnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001171449557 910707512 /nfs/dbraw/zinc/70/75/12/910707512.db2.gz HZRCPBFDSWLIGM-UHFFFAOYSA-N 1 2 260.257 1.291 20 5 CDBDLO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000843487449 937155873 /nfs/dbraw/zinc/15/58/73/937155873.db2.gz GNBRNQPNDHZMHW-SNVBAGLBSA-N 1 2 295.295 1.008 20 5 CDBDLO Cc1nn(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000784009789 937288668 /nfs/dbraw/zinc/28/86/68/937288668.db2.gz XIXLLZBGSCCZQW-CYBMUJFWSA-N 1 2 294.355 1.806 20 5 CDBDLO Cc1nc(NCc2cc[nH+]c(N)c2)ncc1[N+](=O)[O-] ZINC001156763760 938415301 /nfs/dbraw/zinc/41/53/01/938415301.db2.gz AWRMHXCTQUDGOK-UHFFFAOYSA-N 1 2 260.257 1.283 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCC[NH+]1CCOCC1)C2 ZINC001210192580 940670602 /nfs/dbraw/zinc/67/06/02/940670602.db2.gz SHRCDPXJOWERHO-HNNXBMFYSA-N 1 2 292.335 1.411 20 5 CDBDLO CC[NH+]1CC(OCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001223905225 941706101 /nfs/dbraw/zinc/70/61/01/941706101.db2.gz GZLNFLYLKZQTDT-UHFFFAOYSA-N 1 2 296.323 1.833 20 5 CDBDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001303300342 956074780 /nfs/dbraw/zinc/07/47/80/956074780.db2.gz JVGKOXSDRCZRGT-VIFPVBQESA-N 1 2 274.280 1.738 20 5 CDBDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])cn2)[nH+]1 ZINC000280593885 342542397 /nfs/dbraw/zinc/54/23/97/342542397.db2.gz XCGZVKZQSKXEOG-UHFFFAOYSA-N 1 2 259.269 1.743 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C)cn1 ZINC000588925211 342224774 /nfs/dbraw/zinc/22/47/74/342224774.db2.gz CVCAMHOOAHCHCO-UHFFFAOYSA-N 1 2 276.296 1.627 20 5 CDBDLO Cc1noc(C[NH2+][C@H](C)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000595428381 343057532 /nfs/dbraw/zinc/05/75/32/343057532.db2.gz IPSQKASZIYUTGJ-SSDOTTSWSA-N 1 2 265.273 1.476 20 5 CDBDLO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000595472091 343072571 /nfs/dbraw/zinc/07/25/71/343072571.db2.gz HGXPQHQGQLPETJ-LLVKDONJSA-N 1 2 281.287 1.444 20 5 CDBDLO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000595472091 343072572 /nfs/dbraw/zinc/07/25/72/343072572.db2.gz HGXPQHQGQLPETJ-LLVKDONJSA-N 1 2 281.287 1.444 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1c[nH+]c[nH]1 ZINC000595597482 343114700 /nfs/dbraw/zinc/11/47/00/343114700.db2.gz RNSIZNQEEWKRFW-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1c[nH]c[nH+]1 ZINC000595597482 343114702 /nfs/dbraw/zinc/11/47/02/343114702.db2.gz RNSIZNQEEWKRFW-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596434016 343320504 /nfs/dbraw/zinc/32/05/04/343320504.db2.gz WKLPJLRGMCPBQG-VXGBXAGGSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596434016 343320507 /nfs/dbraw/zinc/32/05/07/343320507.db2.gz WKLPJLRGMCPBQG-VXGBXAGGSA-N 1 2 294.355 1.241 20 5 CDBDLO O=C(CCCn1cc[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000604528594 344900241 /nfs/dbraw/zinc/90/02/41/344900241.db2.gz MHHCSMFYZBQIBN-UHFFFAOYSA-N 1 2 288.307 1.888 20 5 CDBDLO CCOC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000159521384 345197132 /nfs/dbraw/zinc/19/71/32/345197132.db2.gz BJWCUAVDRMDYTF-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO CCOC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000159521384 345197136 /nfs/dbraw/zinc/19/71/36/345197136.db2.gz BJWCUAVDRMDYTF-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO Cc1[nH]c(C(=O)NCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000609548998 345653068 /nfs/dbraw/zinc/65/30/68/345653068.db2.gz UWUHRCUOCBGMFP-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000611104330 346609076 /nfs/dbraw/zinc/60/90/76/346609076.db2.gz PYPYWIUNLLOJLT-JTQLQIEISA-N 1 2 283.353 1.567 20 5 CDBDLO C[C@H](CNc1c([N+](=O)[O-])ncn1C)Cn1cc[nH+]c1 ZINC000060380080 347432270 /nfs/dbraw/zinc/43/22/70/347432270.db2.gz SHAUTPFECPTYHO-SECBINFHSA-N 1 2 264.289 1.273 20 5 CDBDLO CC[C@@H]([NH2+]Cc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000038007627 362832812 /nfs/dbraw/zinc/83/28/12/362832812.db2.gz RWQVKNFKVDXAEF-GFCCVEGCSA-N 1 2 275.312 1.964 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122717095 187047730 /nfs/dbraw/zinc/04/77/30/187047730.db2.gz BFZXJRKEGOMBJZ-SECBINFHSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122717095 187047731 /nfs/dbraw/zinc/04/77/31/187047731.db2.gz BFZXJRKEGOMBJZ-SECBINFHSA-N 1 2 286.719 1.386 20 5 CDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C)CC1 ZINC000158052584 188355055 /nfs/dbraw/zinc/35/50/55/188355055.db2.gz TYVKNFUCMZHLPS-UHFFFAOYSA-N 1 2 293.323 1.381 20 5 CDBDLO Cn1c[nH+]cc1CN1CCc2c1cccc2[N+](=O)[O-] ZINC000273542380 192194828 /nfs/dbraw/zinc/19/48/28/192194828.db2.gz ARVPSZIUBQZBIC-UHFFFAOYSA-N 1 2 258.281 1.891 20 5 CDBDLO CCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000273569154 192208367 /nfs/dbraw/zinc/20/83/67/192208367.db2.gz XSJJHRGLIXBZCP-UHFFFAOYSA-N 1 2 277.324 1.301 20 5 CDBDLO CCN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000273569154 192208369 /nfs/dbraw/zinc/20/83/69/192208369.db2.gz XSJJHRGLIXBZCP-UHFFFAOYSA-N 1 2 277.324 1.301 20 5 CDBDLO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000185047881 357504162 /nfs/dbraw/zinc/50/41/62/357504162.db2.gz UWWLKEVAVXVRKM-UHFFFAOYSA-N 1 2 293.323 1.516 20 5 CDBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cncc(F)c1 ZINC000361133941 357809435 /nfs/dbraw/zinc/80/94/35/357809435.db2.gz APOZPRUBLXGMSQ-QMMMGPOBSA-N 1 2 279.275 1.713 20 5 CDBDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000277395455 366440262 /nfs/dbraw/zinc/44/02/62/366440262.db2.gz JKDFIVBTGLPKKV-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO CN1CC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000072764318 358676951 /nfs/dbraw/zinc/67/69/51/358676951.db2.gz WPXHXBOFNPAOHP-GFCCVEGCSA-N 1 2 261.281 1.141 20 5 CDBDLO CN1CC[C@@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000072764318 358676955 /nfs/dbraw/zinc/67/69/55/358676955.db2.gz WPXHXBOFNPAOHP-GFCCVEGCSA-N 1 2 261.281 1.141 20 5 CDBDLO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000119480892 358842471 /nfs/dbraw/zinc/84/24/71/358842471.db2.gz ODVUZVYZYASWAQ-UHFFFAOYSA-N 1 2 293.323 1.138 20 5 CDBDLO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000119480892 358842477 /nfs/dbraw/zinc/84/24/77/358842477.db2.gz ODVUZVYZYASWAQ-UHFFFAOYSA-N 1 2 293.323 1.138 20 5 CDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000103468319 358924033 /nfs/dbraw/zinc/92/40/33/358924033.db2.gz LODSGZXHZURSBY-JTQLQIEISA-N 1 2 295.364 1.971 20 5 CDBDLO CC(C)(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC000339035076 359279998 /nfs/dbraw/zinc/27/99/98/359279998.db2.gz QNHDFGVZGQTLRX-NSHDSACASA-N 1 2 281.312 1.290 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000082261973 359547665 /nfs/dbraw/zinc/54/76/65/359547665.db2.gz IQAJXIWAIHBWLF-UHFFFAOYSA-N 1 2 260.253 1.258 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000178212664 189098455 /nfs/dbraw/zinc/09/84/55/189098455.db2.gz ZSCYLDXAMWFZIX-NEPJUHHUSA-N 1 2 294.355 1.819 20 5 CDBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174811899 364570354 /nfs/dbraw/zinc/57/03/54/364570354.db2.gz WOWZGCCEGXTCPJ-GFCCVEGCSA-N 1 2 296.327 1.209 20 5 CDBDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174811899 364570357 /nfs/dbraw/zinc/57/03/57/364570357.db2.gz WOWZGCCEGXTCPJ-GFCCVEGCSA-N 1 2 296.327 1.209 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138336 367043815 /nfs/dbraw/zinc/04/38/15/367043815.db2.gz AZFDNLHHNAGOGE-RISCZKNCSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138336 367043823 /nfs/dbraw/zinc/04/38/23/367043823.db2.gz AZFDNLHHNAGOGE-RISCZKNCSA-N 1 2 296.323 1.055 20 5 CDBDLO CCOC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000049948001 373018611 /nfs/dbraw/zinc/01/86/11/373018611.db2.gz MXVWLHHLVXEEGR-UHFFFAOYSA-N 1 2 266.297 1.980 20 5 CDBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000049948001 373018615 /nfs/dbraw/zinc/01/86/15/373018615.db2.gz MXVWLHHLVXEEGR-UHFFFAOYSA-N 1 2 266.297 1.980 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000269695811 373918628 /nfs/dbraw/zinc/91/86/28/373918628.db2.gz WPJSUIDADXMGFT-WDMOLILDSA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000269695811 373918633 /nfs/dbraw/zinc/91/86/33/373918633.db2.gz WPJSUIDADXMGFT-WDMOLILDSA-N 1 2 280.324 1.737 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000080526275 374470361 /nfs/dbraw/zinc/47/03/61/374470361.db2.gz HXHCHCDXECOHBO-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000275175229 374691056 /nfs/dbraw/zinc/69/10/56/374691056.db2.gz BKJVBBDCJWOQBG-UHFFFAOYSA-N 1 2 269.326 1.479 20 5 CDBDLO CCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1=O ZINC000428444450 247303034 /nfs/dbraw/zinc/30/30/34/247303034.db2.gz CCFVPVRBHCIJCW-LBPRGKRZSA-N 1 2 291.351 1.956 20 5 CDBDLO CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1=O ZINC000428444450 247303036 /nfs/dbraw/zinc/30/30/36/247303036.db2.gz CCFVPVRBHCIJCW-LBPRGKRZSA-N 1 2 291.351 1.956 20 5 CDBDLO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000031912418 375852100 /nfs/dbraw/zinc/85/21/00/375852100.db2.gz NNIOBJYOBWZJBW-UHFFFAOYSA-N 1 2 281.312 1.372 20 5 CDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]1 ZINC000357241237 375857564 /nfs/dbraw/zinc/85/75/64/375857564.db2.gz NBINGSOUJKYXEB-WCBMZHEXSA-N 1 2 279.296 1.171 20 5 CDBDLO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000262066977 190048085 /nfs/dbraw/zinc/04/80/85/190048085.db2.gz JDQLIVRPNQJWPZ-CYBMUJFWSA-N 1 2 279.296 1.158 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000347506666 376319774 /nfs/dbraw/zinc/31/97/74/376319774.db2.gz XGIRHXPXCHWDQV-UHFFFAOYSA-N 1 2 266.282 1.652 20 5 CDBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@@H+]1C ZINC000345325922 377935777 /nfs/dbraw/zinc/93/57/77/377935777.db2.gz SCAOVWJEZIKNHP-ONGXEEELSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@H+]1C ZINC000345325922 377935785 /nfs/dbraw/zinc/93/57/85/377935785.db2.gz SCAOVWJEZIKNHP-ONGXEEELSA-N 1 2 293.323 1.513 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174358407 379461275 /nfs/dbraw/zinc/46/12/75/379461275.db2.gz YJASGBCPCYRHKH-GFCCVEGCSA-N 1 2 279.296 1.172 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174358407 379461280 /nfs/dbraw/zinc/46/12/80/379461280.db2.gz YJASGBCPCYRHKH-GFCCVEGCSA-N 1 2 279.296 1.172 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCn2c[nH+]cc2C1 ZINC000290611817 285092509 /nfs/dbraw/zinc/09/25/09/285092509.db2.gz FSARUTTXKSLQAB-UHFFFAOYSA-N 1 2 279.687 1.860 20 5 CDBDLO CNC(=O)CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285895137 390186057 /nfs/dbraw/zinc/18/60/57/390186057.db2.gz GKLCOZOEBVELRX-UHFFFAOYSA-N 1 2 287.266 1.441 20 5 CDBDLO CNC(=O)CC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285895137 390186059 /nfs/dbraw/zinc/18/60/59/390186059.db2.gz GKLCOZOEBVELRX-UHFFFAOYSA-N 1 2 287.266 1.441 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317743895 390812787 /nfs/dbraw/zinc/81/27/87/390812787.db2.gz XOVOYHIYSASAIM-PRHODGIISA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317743895 390812788 /nfs/dbraw/zinc/81/27/88/390812788.db2.gz XOVOYHIYSASAIM-PRHODGIISA-N 1 2 286.715 1.033 20 5 CDBDLO CC[C@H](C(N)=O)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179373879 390954262 /nfs/dbraw/zinc/95/42/62/390954262.db2.gz NRRPCKDEOTVCBZ-LLVKDONJSA-N 1 2 285.731 1.944 20 5 CDBDLO CC[C@H](C(N)=O)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179373879 390954263 /nfs/dbraw/zinc/95/42/63/390954263.db2.gz NRRPCKDEOTVCBZ-LLVKDONJSA-N 1 2 285.731 1.944 20 5 CDBDLO NC(=O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413127233 391162627 /nfs/dbraw/zinc/16/26/27/391162627.db2.gz VGKHJWSRSMLSDY-SNVBAGLBSA-N 1 2 286.291 1.455 20 5 CDBDLO COC[C@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413214562 391178412 /nfs/dbraw/zinc/17/84/12/391178412.db2.gz MGMBTMJCLGANNY-GFCCVEGCSA-N 1 2 291.307 1.952 20 5 CDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000408409971 391331447 /nfs/dbraw/zinc/33/14/47/391331447.db2.gz HEAIQVXYEKOXSB-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000408409971 391331450 /nfs/dbraw/zinc/33/14/50/391331450.db2.gz HEAIQVXYEKOXSB-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO CCCNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131464640 393042642 /nfs/dbraw/zinc/04/26/42/393042642.db2.gz DPQJZCYCVVEMKI-UHFFFAOYSA-N 1 2 277.324 1.479 20 5 CDBDLO CCCNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131464640 393042646 /nfs/dbraw/zinc/04/26/46/393042646.db2.gz DPQJZCYCVVEMKI-UHFFFAOYSA-N 1 2 277.324 1.479 20 5 CDBDLO CCC[C@@](C)([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000233314335 140225797 /nfs/dbraw/zinc/22/57/97/140225797.db2.gz HNHOMNQPUZSJQX-GFCCVEGCSA-N 1 2 267.285 1.756 20 5 CDBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000349317550 154086403 /nfs/dbraw/zinc/08/64/03/154086403.db2.gz FDUHDQUWCIOOPS-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO CNc1c(C(=O)NCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000356752536 157559048 /nfs/dbraw/zinc/55/90/48/157559048.db2.gz BXDVBLDDPWHIQS-UHFFFAOYSA-N 1 2 289.295 1.300 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359510769 158270812 /nfs/dbraw/zinc/27/08/12/158270812.db2.gz AFDFEDJYXKKXKJ-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nnc3ccccn32)c1 ZINC000020185666 171048591 /nfs/dbraw/zinc/04/85/91/171048591.db2.gz XVJPFUKWCGLAHC-UHFFFAOYSA-N 1 2 283.291 1.927 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000040486130 174289217 /nfs/dbraw/zinc/28/92/17/174289217.db2.gz RQNOGQNSINKKBE-UHFFFAOYSA-N 1 2 299.294 1.521 20 5 CDBDLO Cn1cc[nH+]c1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000040517389 174308019 /nfs/dbraw/zinc/30/80/19/174308019.db2.gz RAFGNNORFHEJIX-UHFFFAOYSA-N 1 2 286.089 1.336 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000190152548 270282030 /nfs/dbraw/zinc/28/20/30/270282030.db2.gz MZIURGOPNFENJG-NWDGAFQWSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000190152548 270282032 /nfs/dbraw/zinc/28/20/32/270282032.db2.gz MZIURGOPNFENJG-NWDGAFQWSA-N 1 2 296.323 1.055 20 5 CDBDLO COc1cc(C(=O)NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000195231869 280075530 /nfs/dbraw/zinc/07/55/30/280075530.db2.gz HUYOLWATTDEJNY-UHFFFAOYSA-N 1 2 290.279 1.230 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000542482070 289545852 /nfs/dbraw/zinc/54/58/52/289545852.db2.gz NDPUHLACVKVBHX-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555416889 290218229 /nfs/dbraw/zinc/21/82/29/290218229.db2.gz FLCZYUALFBJPCJ-UHFFFAOYSA-N 1 2 281.312 1.257 20 5 CDBDLO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000234022254 535850203 /nfs/dbraw/zinc/85/02/03/535850203.db2.gz BPJZYJZNPHHJPW-WRWORJQWSA-N 1 2 267.285 1.612 20 5 CDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCNC1=O ZINC000764305388 575898534 /nfs/dbraw/zinc/89/85/34/575898534.db2.gz ZSCIPQHFZFUJPQ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCNC1=O ZINC000764305388 575898536 /nfs/dbraw/zinc/89/85/36/575898536.db2.gz ZSCIPQHFZFUJPQ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000896655614 620185172 /nfs/dbraw/zinc/18/51/72/620185172.db2.gz ZOUNCRQYCSDOSI-UHFFFAOYSA-N 1 2 273.296 1.769 20 5 CDBDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](CC[N+](=O)[O-])C2)C1 ZINC000899894137 622511329 /nfs/dbraw/zinc/51/13/29/622511329.db2.gz RYXQSYXIFFEUIN-UHFFFAOYSA-N 1 2 299.371 1.596 20 5 CDBDLO O=C(NCCCn1cc[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669617 695392740 /nfs/dbraw/zinc/39/27/40/695392740.db2.gz VUUDJRQNMQODFQ-UHFFFAOYSA-N 1 2 292.270 1.751 20 5 CDBDLO O=C(c1ccccc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791053858 695980216 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CC[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246217712 723700639 /nfs/dbraw/zinc/70/06/39/723700639.db2.gz DCTFTTRRJCAJFY-TZMCWYRMSA-N 1 2 280.324 1.739 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000853800912 725045879 /nfs/dbraw/zinc/04/58/79/725045879.db2.gz ZKUIZBITTJUYRF-NEPJUHHUSA-N 1 2 294.355 1.819 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000853800912 725045881 /nfs/dbraw/zinc/04/58/81/725045881.db2.gz ZKUIZBITTJUYRF-NEPJUHHUSA-N 1 2 294.355 1.819 20 5 CDBDLO O=[N+]([O-])CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000931058456 725243685 /nfs/dbraw/zinc/24/36/85/725243685.db2.gz FQTRNRMGSNARCH-SECBINFHSA-N 1 2 279.123 1.893 20 5 CDBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930555956 725357596 /nfs/dbraw/zinc/35/75/96/725357596.db2.gz YQVHHSGXTHHAHL-NSHDSACASA-N 1 2 267.304 1.613 20 5 CDBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000930555956 725357600 /nfs/dbraw/zinc/35/76/00/725357600.db2.gz YQVHHSGXTHHAHL-NSHDSACASA-N 1 2 267.304 1.613 20 5 CDBDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010268 927615077 /nfs/dbraw/zinc/61/50/77/927615077.db2.gz BZYZDPHCOMTLPU-HBNTYKKESA-N 1 2 278.299 1.524 20 5 CDBDLO C[C@]1(CO)CC(F)(F)C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010268 927615083 /nfs/dbraw/zinc/61/50/83/927615083.db2.gz BZYZDPHCOMTLPU-HBNTYKKESA-N 1 2 278.299 1.524 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3ncsc3C2)C1 ZINC001169042139 927657822 /nfs/dbraw/zinc/65/78/22/927657822.db2.gz DBLAQCPLQYDUKW-RKDXNWHRSA-N 1 2 253.327 1.904 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3ncsc3C2)C1 ZINC001169042139 927657833 /nfs/dbraw/zinc/65/78/33/927657833.db2.gz DBLAQCPLQYDUKW-RKDXNWHRSA-N 1 2 253.327 1.904 20 5 CDBDLO COc1c(F)cc(NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001169658437 928299586 /nfs/dbraw/zinc/29/95/86/928299586.db2.gz WLDGUFFGFYJWGW-SNVBAGLBSA-N 1 2 299.302 1.485 20 5 CDBDLO COc1c(F)cc(NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001169658437 928299600 /nfs/dbraw/zinc/29/96/00/928299600.db2.gz WLDGUFFGFYJWGW-SNVBAGLBSA-N 1 2 299.302 1.485 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225491715 941869396 /nfs/dbraw/zinc/86/93/96/941869396.db2.gz SGHWGNKGONVWHP-CYBMUJFWSA-N 1 2 264.281 1.773 20 5 CDBDLO CC(C)(C)[NH+]1CC(Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226731977 942059353 /nfs/dbraw/zinc/05/93/53/942059353.db2.gz RYOCAEOJEARXNY-UHFFFAOYSA-N 1 2 252.274 1.246 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CC(F)C2)C1 ZINC001254550130 947520158 /nfs/dbraw/zinc/52/01/58/947520158.db2.gz DCCIDWNSMHRSFL-NSHDSACASA-N 1 2 293.342 1.864 20 5 CDBDLO O=C1SCC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586046 947539386 /nfs/dbraw/zinc/53/93/86/947539386.db2.gz ZIRHYMQJSPYESX-PWSUYJOCSA-N 1 2 278.333 1.684 20 5 CDBDLO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1O ZINC001347290234 965456025 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Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000048615549 342258826 /nfs/dbraw/zinc/25/88/26/342258826.db2.gz UPXGNSISWGKNKI-LBPRGKRZSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000048615549 342258827 /nfs/dbraw/zinc/25/88/27/342258827.db2.gz UPXGNSISWGKNKI-LBPRGKRZSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1noc(C[N@H+](C)C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000595295130 343026732 /nfs/dbraw/zinc/02/67/32/343026732.db2.gz GLXMDEVUQWQURP-SNVBAGLBSA-N 1 2 269.301 1.892 20 5 CDBDLO Cc1noc(C[N@@H+](C)C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000595295130 343026734 /nfs/dbraw/zinc/02/67/34/343026734.db2.gz GLXMDEVUQWQURP-SNVBAGLBSA-N 1 2 269.301 1.892 20 5 CDBDLO CCCC[N@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595299080 343027858 /nfs/dbraw/zinc/02/78/58/343027858.db2.gz UQENLXPMFZZKRI-UHFFFAOYSA-N 1 2 283.303 1.821 20 5 CDBDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595299080 343027861 /nfs/dbraw/zinc/02/78/61/343027861.db2.gz UQENLXPMFZZKRI-UHFFFAOYSA-N 1 2 283.303 1.821 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092041681 342410094 /nfs/dbraw/zinc/41/00/94/342410094.db2.gz WWTPUABOLHKHJK-WCQYABFASA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092041681 342410095 /nfs/dbraw/zinc/41/00/95/342410095.db2.gz WWTPUABOLHKHJK-WCQYABFASA-N 1 2 280.324 1.485 20 5 CDBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000599692414 344122169 /nfs/dbraw/zinc/12/21/69/344122169.db2.gz WHHJMDXKXTWPSW-NSHDSACASA-N 1 2 296.327 1.382 20 5 CDBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000599692414 344122170 /nfs/dbraw/zinc/12/21/70/344122170.db2.gz WHHJMDXKXTWPSW-NSHDSACASA-N 1 2 296.327 1.382 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000602781531 344597050 /nfs/dbraw/zinc/59/70/50/344597050.db2.gz AMMPLUUZGJUHPV-ZJUUUORDSA-N 1 2 268.317 1.209 20 5 CDBDLO 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/nfs/dbraw/zinc/22/54/78/575225478.db2.gz WTKCZOPVTKJFHQ-UHFFFAOYSA-N 1 2 280.328 1.641 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000774660340 575225480 /nfs/dbraw/zinc/22/54/80/575225480.db2.gz WTKCZOPVTKJFHQ-UHFFFAOYSA-N 1 2 280.328 1.641 20 5 CDBDLO Nc1ccc(C(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000763117042 576714422 /nfs/dbraw/zinc/71/44/22/576714422.db2.gz TZGGSLGPVRVLGF-UHFFFAOYSA-N 1 2 276.252 1.231 20 5 CDBDLO C[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000234295867 726220759 /nfs/dbraw/zinc/22/07/59/726220759.db2.gz MOAXZWXYHXXMIH-UHFFFAOYSA-N 1 2 289.129 1.781 20 5 CDBDLO C[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000234295867 726220760 /nfs/dbraw/zinc/22/07/60/726220760.db2.gz MOAXZWXYHXXMIH-UHFFFAOYSA-N 1 2 289.129 1.781 20 5 CDBDLO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000888576113 727137340 /nfs/dbraw/zinc/13/73/40/727137340.db2.gz KTDHOEYICMEABR-VXGBXAGGSA-N 1 2 290.323 1.676 20 5 CDBDLO CC(=O)N1CC[N@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000930141375 727137824 /nfs/dbraw/zinc/13/78/24/727137824.db2.gz ZKPNAXTZZKDALA-UHFFFAOYSA-N 1 2 269.345 1.130 20 5 CDBDLO CC(=O)N1CC[N@@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000930141375 727137829 /nfs/dbraw/zinc/13/78/29/727137829.db2.gz ZKPNAXTZZKDALA-UHFFFAOYSA-N 1 2 269.345 1.130 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844726460 727165327 /nfs/dbraw/zinc/16/53/27/727165327.db2.gz XPCZDTSJEWFSOH-UHFFFAOYSA-N 1 2 272.255 1.870 20 5 CDBDLO Nc1cc(COC(=O)c2cccc([N+](=O)[O-])c2N)cc[nH+]1 ZINC000792023425 727431914 /nfs/dbraw/zinc/43/19/14/727431914.db2.gz IISHKJQZFZBZJH-UHFFFAOYSA-N 1 2 288.263 1.511 20 5 CDBDLO CON1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000846978410 727459470 /nfs/dbraw/zinc/45/94/70/727459470.db2.gz SLOJWSMTPZSOGL-UHFFFAOYSA-N 1 2 281.312 1.153 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)(F)CO ZINC001173218038 912302284 /nfs/dbraw/zinc/30/22/84/912302284.db2.gz IRXIVAMBFAZXHX-VIFPVBQESA-N 1 2 274.267 1.743 20 5 CDBDLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173232314 912327007 /nfs/dbraw/zinc/32/70/07/912327007.db2.gz ARDXZULAPKZDSO-IAQYHMDHSA-N 1 2 292.335 1.816 20 5 CDBDLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173232314 912327025 /nfs/dbraw/zinc/32/70/25/912327025.db2.gz ARDXZULAPKZDSO-IAQYHMDHSA-N 1 2 292.335 1.816 20 5 CDBDLO Cc1cc([N+](=O)[O-])cc(NC[C@H]2C[N@H+](C)CCO2)c1F ZINC001162689385 922892693 /nfs/dbraw/zinc/89/26/93/922892693.db2.gz FESASWIUMRCNNR-NSHDSACASA-N 1 2 283.303 1.785 20 5 CDBDLO Cc1cc([N+](=O)[O-])cc(NC[C@H]2C[N@@H+](C)CCO2)c1F ZINC001162689385 922892709 /nfs/dbraw/zinc/89/27/09/922892709.db2.gz FESASWIUMRCNNR-NSHDSACASA-N 1 2 283.303 1.785 20 5 CDBDLO CCn1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000839078878 936903530 /nfs/dbraw/zinc/90/35/30/936903530.db2.gz XJYARUQWKSFDJX-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO CCn1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000839078878 936903533 /nfs/dbraw/zinc/90/35/33/936903533.db2.gz XJYARUQWKSFDJX-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010267 927614318 /nfs/dbraw/zinc/61/43/18/927614318.db2.gz BZYZDPHCOMTLPU-GMTAPVOTSA-N 1 2 278.299 1.524 20 5 CDBDLO C[C@]1(CO)CC(F)(F)C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010267 927614324 /nfs/dbraw/zinc/61/43/24/927614324.db2.gz BZYZDPHCOMTLPU-GMTAPVOTSA-N 1 2 278.299 1.524 20 5 CDBDLO CC(F)(F)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000697600141 937284136 /nfs/dbraw/zinc/28/41/36/937284136.db2.gz TVYUGXLSJHVUDN-SNVBAGLBSA-N 1 2 260.240 1.873 20 5 CDBDLO C[NH2+][C@@H]1CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001156648901 938400761 /nfs/dbraw/zinc/40/07/61/938400761.db2.gz RZXAQEVQCPBLSG-QMMMGPOBSA-N 1 2 292.673 1.944 20 5 CDBDLO O=[N+]([O-])c1cc(NCCCn2cc[nH+]c2)cnc1F ZINC001161687802 938920817 /nfs/dbraw/zinc/92/08/17/938920817.db2.gz DVAQRBWTOBUSRU-UHFFFAOYSA-N 1 2 265.248 1.828 20 5 CDBDLO CC[NH+]1CC(OCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224184365 941728153 /nfs/dbraw/zinc/72/81/53/941728153.db2.gz VSWLGNCHCMHKJM-UHFFFAOYSA-N 1 2 265.313 1.827 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364530 941993066 /nfs/dbraw/zinc/99/30/66/941993066.db2.gz NOKHRRNFBUJGDN-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364530 941993067 /nfs/dbraw/zinc/99/30/67/941993067.db2.gz NOKHRRNFBUJGDN-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC001230477064 942621514 /nfs/dbraw/zinc/62/15/14/942621514.db2.gz IQJBAYCLQUNFLV-CYBMUJFWSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC001230477064 942621516 /nfs/dbraw/zinc/62/15/16/942621516.db2.gz IQJBAYCLQUNFLV-CYBMUJFWSA-N 1 2 280.324 1.921 20 5 CDBDLO C[NH+]1CC(Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234674178 943938554 /nfs/dbraw/zinc/93/85/54/943938554.db2.gz JNQVQFIBRLLOSQ-UHFFFAOYSA-N 1 2 259.265 1.836 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2cnnc2C1 ZINC001254549910 947522281 /nfs/dbraw/zinc/52/22/81/947522281.db2.gz AHPUTUKWAFBGCF-NSHDSACASA-N 1 2 287.323 1.633 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2cnnc2C1 ZINC001254549910 947522287 /nfs/dbraw/zinc/52/22/87/947522287.db2.gz AHPUTUKWAFBGCF-NSHDSACASA-N 1 2 287.323 1.633 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CS(=O)C3)C2 ZINC001254593198 947544766 /nfs/dbraw/zinc/54/47/66/947544766.db2.gz JTJJXEFRNSEGJU-ZDUSSCGKSA-N 1 2 292.360 1.126 20 5 CDBDLO Cc1nc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC001327727857 955018216 /nfs/dbraw/zinc/01/82/16/955018216.db2.gz NKEMSUWMKAGNFC-NXEZZACHSA-N 1 2 295.343 1.214 20 5 CDBDLO Cc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC001327727857 955018229 /nfs/dbraw/zinc/01/82/29/955018229.db2.gz NKEMSUWMKAGNFC-NXEZZACHSA-N 1 2 295.343 1.214 20 5 CDBDLO CN(C(=O)C[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611517317 346808202 /nfs/dbraw/zinc/80/82/02/346808202.db2.gz PYDJQPIZNHKPKJ-UHFFFAOYSA-N 1 2 275.308 1.820 20 5 CDBDLO CN(C(=O)C[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611517317 346808205 /nfs/dbraw/zinc/80/82/05/346808205.db2.gz PYDJQPIZNHKPKJ-UHFFFAOYSA-N 1 2 275.308 1.820 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cocn1)OCCO2 ZINC000609354116 342103804 /nfs/dbraw/zinc/10/38/04/342103804.db2.gz MOEFNSMIGSGTNU-UHFFFAOYSA-N 1 2 291.263 1.644 20 5 CDBDLO Cc1noc(C[N@H+](C)CCn2cccn2)c1[N+](=O)[O-] ZINC000595318554 343034458 /nfs/dbraw/zinc/03/44/58/343034458.db2.gz VDJUCEGHNGQGSL-UHFFFAOYSA-N 1 2 265.273 1.220 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCn2cccn2)c1[N+](=O)[O-] ZINC000595318554 343034460 /nfs/dbraw/zinc/03/44/60/343034460.db2.gz VDJUCEGHNGQGSL-UHFFFAOYSA-N 1 2 265.273 1.220 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000595434354 343059918 /nfs/dbraw/zinc/05/99/18/343059918.db2.gz UXKALODXEXCLDF-MRVPVSSYSA-N 1 2 279.275 1.713 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531123 349793029 /nfs/dbraw/zinc/79/30/29/349793029.db2.gz JOZCCJCNSRZRLW-UHFFFAOYSA-N 1 2 281.312 1.171 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531123 349793030 /nfs/dbraw/zinc/79/30/30/349793030.db2.gz JOZCCJCNSRZRLW-UHFFFAOYSA-N 1 2 281.312 1.171 20 5 CDBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000436965056 362163135 /nfs/dbraw/zinc/16/31/35/362163135.db2.gz JTCHUSPHNGNBEU-GFCCVEGCSA-N 1 2 293.323 1.370 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1CNCc1[nH+]cc(C)n1C ZINC000341010591 365741630 /nfs/dbraw/zinc/74/16/30/365741630.db2.gz MQYKQYIDEMQJBL-UHFFFAOYSA-N 1 2 290.323 1.935 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609624886 345981567 /nfs/dbraw/zinc/98/15/67/345981567.db2.gz UHKIIPQMDXXSRZ-UHFFFAOYSA-N 1 2 286.291 1.797 20 5 CDBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249303280 362843710 /nfs/dbraw/zinc/84/37/10/362843710.db2.gz NVIUGNFBWQNGRT-HRLNJXSSSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249303280 362843715 /nfs/dbraw/zinc/84/37/15/362843715.db2.gz NVIUGNFBWQNGRT-HRLNJXSSSA-N 1 2 292.335 1.690 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000018060217 348531261 /nfs/dbraw/zinc/53/12/61/348531261.db2.gz HACSTRYWTUSLAB-UHFFFAOYSA-N 1 2 288.267 1.501 20 5 CDBDLO CN(C)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029926390 348674307 /nfs/dbraw/zinc/67/43/07/348674307.db2.gz GYQGTNGZXULLTA-UHFFFAOYSA-N 1 2 292.339 1.394 20 5 CDBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106886631 186147488 /nfs/dbraw/zinc/14/74/88/186147488.db2.gz WJDFVDHVLIDTSF-SNVBAGLBSA-N 1 2 279.296 1.254 20 5 CDBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106886631 186147489 /nfs/dbraw/zinc/14/74/89/186147489.db2.gz WJDFVDHVLIDTSF-SNVBAGLBSA-N 1 2 279.296 1.254 20 5 CDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546036 351285210 /nfs/dbraw/zinc/28/52/10/351285210.db2.gz ITUPYWXLVXCKHL-LLVKDONJSA-N 1 2 279.296 1.723 20 5 CDBDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546036 351285216 /nfs/dbraw/zinc/28/52/16/351285216.db2.gz ITUPYWXLVXCKHL-LLVKDONJSA-N 1 2 279.296 1.723 20 5 CDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546036 351285217 /nfs/dbraw/zinc/28/52/17/351285217.db2.gz ITUPYWXLVXCKHL-LLVKDONJSA-N 1 2 279.296 1.723 20 5 CDBDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546036 351285221 /nfs/dbraw/zinc/28/52/21/351285221.db2.gz ITUPYWXLVXCKHL-LLVKDONJSA-N 1 2 279.296 1.723 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000037016418 363314053 /nfs/dbraw/zinc/31/40/53/363314053.db2.gz JCNYANGBTUBFPZ-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO Cc1c[nH+]c(CNCc2ccccc2[N+](=O)[O-])n1C ZINC000341041282 366211182 /nfs/dbraw/zinc/21/11/82/366211182.db2.gz GHTZJIZHKVRJFI-UHFFFAOYSA-N 1 2 260.297 1.927 20 5 CDBDLO Cc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC000341041282 366211186 /nfs/dbraw/zinc/21/11/86/366211186.db2.gz GHTZJIZHKVRJFI-UHFFFAOYSA-N 1 2 260.297 1.927 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000286169444 356226664 /nfs/dbraw/zinc/22/66/64/356226664.db2.gz YQJIBZIFMGWBAR-QMMMGPOBSA-N 1 2 272.251 1.830 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000286169444 356226667 /nfs/dbraw/zinc/22/66/67/356226667.db2.gz YQJIBZIFMGWBAR-QMMMGPOBSA-N 1 2 272.251 1.830 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000246972012 356569223 /nfs/dbraw/zinc/56/92/23/356569223.db2.gz GBPZHDUINXNPAM-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000246972012 356569227 /nfs/dbraw/zinc/56/92/27/356569227.db2.gz GBPZHDUINXNPAM-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000048214052 357175276 /nfs/dbraw/zinc/17/52/76/357175276.db2.gz JOASSDPIMMHBCQ-LBPRGKRZSA-N 1 2 284.337 1.214 20 5 CDBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000048214052 357175279 /nfs/dbraw/zinc/17/52/79/357175279.db2.gz JOASSDPIMMHBCQ-LBPRGKRZSA-N 1 2 284.337 1.214 20 5 CDBDLO COc1cc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361010492 357773995 /nfs/dbraw/zinc/77/39/95/357773995.db2.gz PLAQWWARGSKTCQ-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO COc1cc(NCC[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361010492 357773999 /nfs/dbraw/zinc/77/39/99/357773999.db2.gz PLAQWWARGSKTCQ-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO CN(C)c1ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH+]1 ZINC000294450439 199044010 /nfs/dbraw/zinc/04/40/10/199044010.db2.gz RMORFBYMOIGMHZ-UHFFFAOYSA-N 1 2 294.355 1.599 20 5 CDBDLO C[C@@H]1C[N@H+](CCN(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963130 358252684 /nfs/dbraw/zinc/25/26/84/358252684.db2.gz SPCYIHVMRCPJKD-CYBMUJFWSA-N 1 2 293.367 1.747 20 5 CDBDLO C[C@@H]1C[N@@H+](CCN(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963130 358252688 /nfs/dbraw/zinc/25/26/88/358252688.db2.gz SPCYIHVMRCPJKD-CYBMUJFWSA-N 1 2 293.367 1.747 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544365112 359006390 /nfs/dbraw/zinc/00/63/90/359006390.db2.gz IGNVHAMOLRZHRY-UHFFFAOYSA-N 1 2 274.280 1.301 20 5 CDBDLO CC[C@H]([NH2+]Cc1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000178155770 189093406 /nfs/dbraw/zinc/09/34/06/189093406.db2.gz OCVCIKAXFJHFNV-LBPRGKRZSA-N 1 2 275.312 1.964 20 5 CDBDLO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000367649884 364029064 /nfs/dbraw/zinc/02/90/64/364029064.db2.gz AOWSHFSGLZRPCD-JTQLQIEISA-N 1 2 279.296 1.172 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000042532938 364595195 /nfs/dbraw/zinc/59/51/95/364595195.db2.gz FWEXCVQQHLZNEO-NSHDSACASA-N 1 2 288.307 1.539 20 5 CDBDLO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000384597426 364812722 /nfs/dbraw/zinc/81/27/22/364812722.db2.gz WLUBIGGBBOUIJD-PSASIEDQSA-N 1 2 279.296 1.627 20 5 CDBDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412099038 240003191 /nfs/dbraw/zinc/00/31/91/240003191.db2.gz VZGCUDKKUGRPPM-MNOVXSKESA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412099038 240003193 /nfs/dbraw/zinc/00/31/93/240003193.db2.gz VZGCUDKKUGRPPM-MNOVXSKESA-N 1 2 280.324 1.893 20 5 CDBDLO Cn1c[nH+]cc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000188132628 365077829 /nfs/dbraw/zinc/07/78/29/365077829.db2.gz NFZUDKWWYMOXDH-UHFFFAOYSA-N 1 2 286.291 1.460 20 5 CDBDLO COC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000276269852 193265849 /nfs/dbraw/zinc/26/58/49/193265849.db2.gz CMCJHPIQJZRPBU-ZDUSSCGKSA-N 1 2 294.307 1.515 20 5 CDBDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276431371 193329084 /nfs/dbraw/zinc/32/90/84/193329084.db2.gz JVWQDGWMIMFOEK-CYBMUJFWSA-N 1 2 294.307 1.515 20 5 CDBDLO C[C@@H]1OCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269655498 373370496 /nfs/dbraw/zinc/37/04/96/373370496.db2.gz OBZOBRVVLCJWDM-MJVIPROJSA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@@H]1OCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269655498 373370503 /nfs/dbraw/zinc/37/05/03/373370503.db2.gz OBZOBRVVLCJWDM-MJVIPROJSA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CO ZINC000330442439 374853393 /nfs/dbraw/zinc/85/33/93/374853393.db2.gz ASJFEGDNFCVVPT-RNCFNFMXSA-N 1 2 266.297 1.503 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CO ZINC000330442439 374853399 /nfs/dbraw/zinc/85/33/99/374853399.db2.gz ASJFEGDNFCVVPT-RNCFNFMXSA-N 1 2 266.297 1.503 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@@H]1CCO ZINC000330458539 374856701 /nfs/dbraw/zinc/85/67/01/374856701.db2.gz SAVZMBDPQCQBDE-NSHDSACASA-N 1 2 298.364 1.600 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000330458539 374856706 /nfs/dbraw/zinc/85/67/06/374856706.db2.gz SAVZMBDPQCQBDE-NSHDSACASA-N 1 2 298.364 1.600 20 5 CDBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1O ZINC000332180169 375012200 /nfs/dbraw/zinc/01/22/00/375012200.db2.gz DNMSUCYYMSRWQW-ZANVPECISA-N 1 2 290.323 1.674 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1O ZINC000332180169 375012206 /nfs/dbraw/zinc/01/22/06/375012206.db2.gz DNMSUCYYMSRWQW-ZANVPECISA-N 1 2 290.323 1.674 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282303198 375077501 /nfs/dbraw/zinc/07/75/01/375077501.db2.gz SSBRMCNTASORJL-GHMZBOCLSA-N 1 2 298.364 1.775 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282303198 375077507 /nfs/dbraw/zinc/07/75/07/375077507.db2.gz SSBRMCNTASORJL-GHMZBOCLSA-N 1 2 298.364 1.775 20 5 CDBDLO Cc1cnc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000172807922 377764279 /nfs/dbraw/zinc/76/42/79/377764279.db2.gz UCNCMIYIEUINLP-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1cnc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000172807922 377764284 /nfs/dbraw/zinc/76/42/84/377764284.db2.gz UCNCMIYIEUINLP-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1cnc(N(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278967953 194234242 /nfs/dbraw/zinc/23/42/42/194234242.db2.gz ZBGUNHGFTMPCDF-GFCCVEGCSA-N 1 2 294.355 1.455 20 5 CDBDLO CCc1cc(N)nc(SCCn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000279098350 194283547 /nfs/dbraw/zinc/28/35/47/194283547.db2.gz OTRIUJTZOYGKGP-UHFFFAOYSA-N 1 2 294.340 1.518 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3cccc(F)c3C2)n1 ZINC000459733349 392502591 /nfs/dbraw/zinc/50/25/91/392502591.db2.gz NJWANDAISRBEEN-UHFFFAOYSA-N 1 2 276.271 1.946 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3cccc(F)c3C2)n1 ZINC000459733349 392502598 /nfs/dbraw/zinc/50/25/98/392502598.db2.gz NJWANDAISRBEEN-UHFFFAOYSA-N 1 2 276.271 1.946 20 5 CDBDLO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000315024062 149257177 /nfs/dbraw/zinc/25/71/77/149257177.db2.gz VJHAXGFFNDIKBW-JTQLQIEISA-N 1 2 295.339 1.759 20 5 CDBDLO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000315024062 149257180 /nfs/dbraw/zinc/25/71/80/149257180.db2.gz VJHAXGFFNDIKBW-JTQLQIEISA-N 1 2 295.339 1.759 20 5 CDBDLO Cc1cc(C(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000343285911 152103599 /nfs/dbraw/zinc/10/35/99/152103599.db2.gz LIOZAXAINDLGPY-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374104949 160254626 /nfs/dbraw/zinc/25/46/26/160254626.db2.gz GXACLURJMXGKQH-OKILXGFUSA-N 1 2 278.308 1.837 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374104949 160254627 /nfs/dbraw/zinc/25/46/27/160254627.db2.gz GXACLURJMXGKQH-OKILXGFUSA-N 1 2 278.308 1.837 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)C ZINC000266671142 287152143 /nfs/dbraw/zinc/15/21/43/287152143.db2.gz PBSCBFAFDNMEDA-JTQLQIEISA-N 1 2 265.313 1.676 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N(C)C ZINC000266671142 287152144 /nfs/dbraw/zinc/15/21/44/287152144.db2.gz PBSCBFAFDNMEDA-JTQLQIEISA-N 1 2 265.313 1.676 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216432776 262567708 /nfs/dbraw/zinc/56/77/08/262567708.db2.gz VURCCHQIMNJWMB-DAXSKMNVSA-N 1 2 286.291 1.990 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000190144259 270281659 /nfs/dbraw/zinc/28/16/59/270281659.db2.gz ZTZYHUDFPQLRJR-SMDDNHRTSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000190144259 270281660 /nfs/dbraw/zinc/28/16/60/270281660.db2.gz ZTZYHUDFPQLRJR-SMDDNHRTSA-N 1 2 296.323 1.055 20 5 CDBDLO CC(C)Oc1nc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000570344120 294221624 /nfs/dbraw/zinc/22/16/24/294221624.db2.gz RHHDFNFITWFYFK-UHFFFAOYSA-N 1 2 291.311 1.508 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293537706 304531467 /nfs/dbraw/zinc/53/14/67/304531467.db2.gz VOXXWORGDYYCTN-WDEREUQCSA-N 1 2 291.307 1.124 20 5 CDBDLO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285586301 303453804 /nfs/dbraw/zinc/45/38/04/303453804.db2.gz AIHDLKVKLWERQK-NXEZZACHSA-N 1 2 279.296 1.300 20 5 CDBDLO C[NH+](C)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000350650207 316190468 /nfs/dbraw/zinc/19/04/68/316190468.db2.gz LSPAULGJWKGSND-UHFFFAOYSA-N 1 2 291.311 1.694 20 5 CDBDLO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184765510 323372894 /nfs/dbraw/zinc/37/28/94/323372894.db2.gz CXYJUIDAAJUFBT-SNVBAGLBSA-N 1 2 293.323 1.372 20 5 CDBDLO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184765510 323372895 /nfs/dbraw/zinc/37/28/95/323372895.db2.gz CXYJUIDAAJUFBT-SNVBAGLBSA-N 1 2 293.323 1.372 20 5 CDBDLO CC[NH+]1CC(Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231052418 1161927645 /nfs/dbraw/zinc/92/76/45/1161927645.db2.gz BZKPZCHEXSKHEW-UHFFFAOYSA-N 1 2 274.280 1.621 20 5 CDBDLO COC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049360116 523884960 /nfs/dbraw/zinc/88/49/60/523884960.db2.gz WQBOUUPCBOUJCD-VIFPVBQESA-N 1 2 252.270 1.288 20 5 CDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)C1 ZINC000227693665 524280034 /nfs/dbraw/zinc/28/00/34/524280034.db2.gz KOPUXEMNBXZFBE-WDEREUQCSA-N 1 2 293.323 1.379 20 5 CDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)C1 ZINC000227693665 524280039 /nfs/dbraw/zinc/28/00/39/524280039.db2.gz KOPUXEMNBXZFBE-WDEREUQCSA-N 1 2 293.323 1.379 20 5 CDBDLO COc1cccc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000769603709 575364091 /nfs/dbraw/zinc/36/40/91/575364091.db2.gz OQWNLHPJTWAKNR-UHFFFAOYSA-N 1 2 291.263 1.657 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769913631 575397492 /nfs/dbraw/zinc/39/74/92/575397492.db2.gz PZIYNLLTQGJQAJ-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769913631 575397494 /nfs/dbraw/zinc/39/74/94/575397494.db2.gz PZIYNLLTQGJQAJ-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO CC(C)C1(O)C[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000773899280 575844197 /nfs/dbraw/zinc/84/41/97/575844197.db2.gz QOSGBJAADNOWQF-UHFFFAOYSA-N 1 2 280.324 1.676 20 5 CDBDLO Cc1cc(C(=O)OCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000754685441 576910956 /nfs/dbraw/zinc/91/09/56/576910956.db2.gz DWLUTFJIGHKFTD-UHFFFAOYSA-N 1 2 275.264 1.994 20 5 CDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000759161282 577155959 /nfs/dbraw/zinc/15/59/59/577155959.db2.gz UFUGYEZCWVMRKR-ZDUSSCGKSA-N 1 2 290.327 1.628 20 5 CDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000759161282 577155960 /nfs/dbraw/zinc/15/59/60/577155960.db2.gz UFUGYEZCWVMRKR-ZDUSSCGKSA-N 1 2 290.327 1.628 20 5 CDBDLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000914795368 631573663 /nfs/dbraw/zinc/57/36/63/631573663.db2.gz OJIYLZLXXXKZEY-PRHODGIISA-N 1 2 292.295 1.670 20 5 CDBDLO CCOC(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000159520474 1178244010 /nfs/dbraw/zinc/24/40/10/1178244010.db2.gz DHODDKZEAGHPQU-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO CCOC(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000159520474 1178244016 /nfs/dbraw/zinc/24/40/16/1178244016.db2.gz DHODDKZEAGHPQU-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO C[N@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960396 729177875 /nfs/dbraw/zinc/17/78/75/729177875.db2.gz PKKONWUAGVTAJV-CQSZACIVSA-N 1 2 291.307 1.584 20 5 CDBDLO C[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960396 729177876 /nfs/dbraw/zinc/17/78/76/729177876.db2.gz PKKONWUAGVTAJV-CQSZACIVSA-N 1 2 291.307 1.584 20 5 CDBDLO O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800566 730389222 /nfs/dbraw/zinc/38/92/22/730389222.db2.gz OGZOBEKHDSKFSY-JNSGDMPLSA-N 1 2 264.285 1.200 20 5 CDBDLO CC[N@H+](C[C@H]1CCCO1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000194007181 914316137 /nfs/dbraw/zinc/31/61/37/914316137.db2.gz QQEKWBACBUBKLD-GFCCVEGCSA-N 1 2 282.344 1.867 20 5 CDBDLO CC[N@@H+](C[C@H]1CCCO1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000194007181 914316148 /nfs/dbraw/zinc/31/61/48/914316148.db2.gz QQEKWBACBUBKLD-GFCCVEGCSA-N 1 2 282.344 1.867 20 5 CDBDLO CC[NH+]1CC(OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223409930 901434671 /nfs/dbraw/zinc/43/46/71/901434671.db2.gz HXQQIFFZPRHHSY-UHFFFAOYSA-N 1 2 294.307 1.602 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])cn1 ZINC001225634497 903450233 /nfs/dbraw/zinc/45/02/33/903450233.db2.gz ZCNAPKOCKWKVAH-SNVBAGLBSA-N 1 2 267.285 1.089 20 5 CDBDLO C[NH+]1CC(Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226436079 905189386 /nfs/dbraw/zinc/18/93/86/905189386.db2.gz WMGDTYYWMGWJCC-UHFFFAOYSA-N 1 2 260.253 1.231 20 5 CDBDLO CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455558 938494663 /nfs/dbraw/zinc/49/46/63/938494663.db2.gz PLNQOEUHXMGPOL-UHFFFAOYSA-N 1 2 285.735 1.487 20 5 CDBDLO Cc1ccnc(NCC2([NH+]3CCCC3)COC2)c1[N+](=O)[O-] ZINC001157650036 938526168 /nfs/dbraw/zinc/52/61/68/938526168.db2.gz JQDDZXXNOGMZQM-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158707045 938653206 /nfs/dbraw/zinc/65/32/06/938653206.db2.gz HGBIPLNHKTULLV-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158707045 938653207 /nfs/dbraw/zinc/65/32/07/938653207.db2.gz HGBIPLNHKTULLV-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907952 941927685 /nfs/dbraw/zinc/92/76/85/941927685.db2.gz VVJOXBKAWKQGMU-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907952 941927687 /nfs/dbraw/zinc/92/76/87/941927687.db2.gz VVJOXBKAWKQGMU-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001254550678 947521134 /nfs/dbraw/zinc/52/11/34/947521134.db2.gz ONTNHRVQCBSXAY-LLVKDONJSA-N 1 2 250.298 1.858 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(N)=O)CC1 ZINC001254563526 947525141 /nfs/dbraw/zinc/52/51/41/947525141.db2.gz YADOJGQHUKGHST-LLVKDONJSA-N 1 2 292.339 1.222 20 5 CDBDLO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328227482 955233544 /nfs/dbraw/zinc/23/35/44/955233544.db2.gz BYCPRGTZNFVTAA-UHFFFAOYSA-N 1 2 286.291 1.445 20 5 CDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])s1 ZINC000588070138 342492173 /nfs/dbraw/zinc/49/21/73/342492173.db2.gz AZCLRCLRPSJYIJ-MNOVXSKESA-N 1 2 297.380 1.956 20 5 CDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593066656 342762078 /nfs/dbraw/zinc/76/20/78/342762078.db2.gz PTYJFXFXLMLOBW-NXEZZACHSA-N 1 2 284.287 1.316 20 5 CDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593066656 342762079 /nfs/dbraw/zinc/76/20/79/342762079.db2.gz PTYJFXFXLMLOBW-NXEZZACHSA-N 1 2 284.287 1.316 20 5 CDBDLO Cc1[nH]ncc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289902976 361882027 /nfs/dbraw/zinc/88/20/27/361882027.db2.gz UNSPGUAKLNNOCT-UHFFFAOYSA-N 1 2 275.312 1.592 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547542 343084846 /nfs/dbraw/zinc/08/48/46/343084846.db2.gz QLTKJWFDBRIOER-QMMMGPOBSA-N 1 2 278.268 1.876 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547542 343084847 /nfs/dbraw/zinc/08/48/47/343084847.db2.gz QLTKJWFDBRIOER-QMMMGPOBSA-N 1 2 278.268 1.876 20 5 CDBDLO CCc1nn(C)c(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000596236919 343282516 /nfs/dbraw/zinc/28/25/16/343282516.db2.gz PBPJVOWPOLVAPC-UHFFFAOYSA-N 1 2 276.300 1.177 20 5 CDBDLO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596541315 343346305 /nfs/dbraw/zinc/34/63/05/343346305.db2.gz FEICZRAXRVTHPN-ZETCQYMHSA-N 1 2 263.257 1.602 20 5 CDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249109812 362251882 /nfs/dbraw/zinc/25/18/82/362251882.db2.gz AUHYPYJMCKZEKK-ZWNOBZJWSA-N 1 2 293.323 1.236 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598738492 343892475 /nfs/dbraw/zinc/89/24/75/343892475.db2.gz MNXFLCLYTFVAMY-MRVPVSSYSA-N 1 2 292.299 1.036 20 5 CDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249109812 362251878 /nfs/dbraw/zinc/25/18/78/362251878.db2.gz AUHYPYJMCKZEKK-ZWNOBZJWSA-N 1 2 293.323 1.236 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000599161967 343971571 /nfs/dbraw/zinc/97/15/71/343971571.db2.gz ZJEJYHPDMZGWPW-LLVKDONJSA-N 1 2 280.328 1.349 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000599161967 343971573 /nfs/dbraw/zinc/97/15/73/343971573.db2.gz ZJEJYHPDMZGWPW-LLVKDONJSA-N 1 2 280.328 1.349 20 5 CDBDLO CC[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000293299065 362544327 /nfs/dbraw/zinc/54/43/27/362544327.db2.gz UUYJIWDZLPTMRU-AWEZNQCLSA-N 1 2 296.323 1.905 20 5 CDBDLO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609517009 345592469 /nfs/dbraw/zinc/59/24/69/345592469.db2.gz CMPNSNFDGHKSNF-SECBINFHSA-N 1 2 270.358 1.314 20 5 CDBDLO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609517009 345592471 /nfs/dbraw/zinc/59/24/71/345592471.db2.gz CMPNSNFDGHKSNF-SECBINFHSA-N 1 2 270.358 1.314 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000092763086 345626766 /nfs/dbraw/zinc/62/67/66/345626766.db2.gz HQYSMVPRVJNBRR-VIFPVBQESA-N 1 2 252.270 1.115 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000092763086 345626768 /nfs/dbraw/zinc/62/67/68/345626768.db2.gz HQYSMVPRVJNBRR-VIFPVBQESA-N 1 2 252.270 1.115 20 5 CDBDLO Cc1nc(N2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000610754869 346393180 /nfs/dbraw/zinc/39/31/80/346393180.db2.gz CIMLHCNCNWDHMD-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO Cc1cn2c([nH+]1)[C@H](CNc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000611030539 346585620 /nfs/dbraw/zinc/58/56/20/346585620.db2.gz IKQMMBTWLGRLHL-JTQLQIEISA-N 1 2 290.327 1.823 20 5 CDBDLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611177334 346631998 /nfs/dbraw/zinc/63/19/98/346631998.db2.gz JGQAQCBLVNLVIN-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611177334 346631999 /nfs/dbraw/zinc/63/19/99/346631999.db2.gz JGQAQCBLVNLVIN-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCCOC1)CC2 ZINC000612469161 347180916 /nfs/dbraw/zinc/18/09/16/347180916.db2.gz GMFWKFHXQRAZCR-LLVKDONJSA-N 1 2 263.297 1.527 20 5 CDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCCOC1)CC2 ZINC000612469161 347180920 /nfs/dbraw/zinc/18/09/20/347180920.db2.gz GMFWKFHXQRAZCR-LLVKDONJSA-N 1 2 263.297 1.527 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCOCC1 ZINC000112208836 365975745 /nfs/dbraw/zinc/97/57/45/365975745.db2.gz RTPBBUGFFABQLF-UHFFFAOYSA-N 1 2 265.313 1.647 20 5 CDBDLO COC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091861495 351260302 /nfs/dbraw/zinc/26/03/02/351260302.db2.gz ILVLAWUDFUGJOD-LLVKDONJSA-N 1 2 266.297 1.911 20 5 CDBDLO COC[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091861495 351260304 /nfs/dbraw/zinc/26/03/04/351260304.db2.gz ILVLAWUDFUGJOD-LLVKDONJSA-N 1 2 266.297 1.911 20 5 CDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1[nH]cc[nH+]1 ZINC000114126161 366130377 /nfs/dbraw/zinc/13/03/77/366130377.db2.gz JFDNYMQSBBSXJQ-UHFFFAOYSA-N 1 2 289.295 1.436 20 5 CDBDLO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250152 356303607 /nfs/dbraw/zinc/30/36/07/356303607.db2.gz QQZHLBSSPAIWEQ-QWRGUYRKSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250152 356303608 /nfs/dbraw/zinc/30/36/08/356303608.db2.gz QQZHLBSSPAIWEQ-QWRGUYRKSA-N 1 2 280.324 1.893 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[N@H+](C)C1 ZINC000187145469 357732637 /nfs/dbraw/zinc/73/26/37/357732637.db2.gz UTDSGBNIXAWOKW-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[N@@H+](C)C1 ZINC000187145469 357732640 /nfs/dbraw/zinc/73/26/40/357732640.db2.gz UTDSGBNIXAWOKW-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCOC[C@@H]1C ZINC000360896958 357737553 /nfs/dbraw/zinc/73/75/53/357737553.db2.gz MRKVTSNVFIXFMM-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1CCOC[C@@H]1C ZINC000360896958 357737557 /nfs/dbraw/zinc/73/75/57/357737557.db2.gz MRKVTSNVFIXFMM-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO Cc1c(C[N@@H+]2CCOC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC000193722966 358319002 /nfs/dbraw/zinc/31/90/02/358319002.db2.gz HQWPFGPTWVZJBK-OAHLLOKOSA-N 1 2 292.335 1.895 20 5 CDBDLO Cc1c(C[N@H+]2CCOC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC000193722966 358319005 /nfs/dbraw/zinc/31/90/05/358319005.db2.gz HQWPFGPTWVZJBK-OAHLLOKOSA-N 1 2 292.335 1.895 20 5 CDBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000294860665 199219138 /nfs/dbraw/zinc/21/91/38/199219138.db2.gz ABDNVADWQRRIHE-UHFFFAOYSA-N 1 2 262.273 1.522 20 5 CDBDLO Cc1cccn2cc(Cn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000074061661 359008502 /nfs/dbraw/zinc/00/85/02/359008502.db2.gz FWRHBABXVZKKQX-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO C[C@@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1=O ZINC000289708619 360322365 /nfs/dbraw/zinc/32/23/65/360322365.db2.gz WPVLYEBJSDLZTQ-CYBMUJFWSA-N 1 2 280.280 1.269 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000162001679 360442523 /nfs/dbraw/zinc/44/25/23/360442523.db2.gz QRRSADKPYAQDBE-DYLGSBMWSA-N 1 2 289.335 1.948 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000162001679 360442526 /nfs/dbraw/zinc/44/25/26/360442526.db2.gz QRRSADKPYAQDBE-DYLGSBMWSA-N 1 2 289.335 1.948 20 5 CDBDLO COC(=O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178868117 189151389 /nfs/dbraw/zinc/15/13/89/189151389.db2.gz QNXZKKARQVTGOD-ZDUSSCGKSA-N 1 2 296.323 1.512 20 5 CDBDLO COC(=O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178868117 189151390 /nfs/dbraw/zinc/15/13/90/189151390.db2.gz QNXZKKARQVTGOD-ZDUSSCGKSA-N 1 2 296.323 1.512 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249578451 364905229 /nfs/dbraw/zinc/90/52/29/364905229.db2.gz QCDJOIFDWGRJAV-GXFFZTMASA-N 1 2 277.324 1.681 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249578451 364905234 /nfs/dbraw/zinc/90/52/34/364905234.db2.gz QCDJOIFDWGRJAV-GXFFZTMASA-N 1 2 277.324 1.681 20 5 CDBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000368778024 373869247 /nfs/dbraw/zinc/86/92/47/373869247.db2.gz STYMLZYSUFZZRI-VXGBXAGGSA-N 1 2 286.291 1.691 20 5 CDBDLO COC(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000066496267 374335387 /nfs/dbraw/zinc/33/53/87/374335387.db2.gz XNZIQACEHQEBHT-UHFFFAOYSA-N 1 2 266.297 1.679 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000091901086 374673218 /nfs/dbraw/zinc/67/32/18/374673218.db2.gz KOEBXZVHBZWFLD-UHFFFAOYSA-N 1 2 291.267 1.648 20 5 CDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1=O ZINC000331456957 374957266 /nfs/dbraw/zinc/95/72/66/374957266.db2.gz GHKJRYCPCXVJDI-AWEZNQCLSA-N 1 2 289.335 1.790 20 5 CDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1=O ZINC000331456957 374957268 /nfs/dbraw/zinc/95/72/68/374957268.db2.gz GHKJRYCPCXVJDI-AWEZNQCLSA-N 1 2 289.335 1.790 20 5 CDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332219438 375016555 /nfs/dbraw/zinc/01/65/55/375016555.db2.gz ISUPFCTYLUZERA-KGLIPLIRSA-N 1 2 277.324 1.110 20 5 CDBDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332219438 375016558 /nfs/dbraw/zinc/01/65/58/375016558.db2.gz ISUPFCTYLUZERA-KGLIPLIRSA-N 1 2 277.324 1.110 20 5 CDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232680 375018795 /nfs/dbraw/zinc/01/87/95/375018795.db2.gz OYHKQBANPDQTLH-ZIAGYGMSSA-N 1 2 295.314 1.249 20 5 CDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232680 375018800 /nfs/dbraw/zinc/01/88/00/375018800.db2.gz OYHKQBANPDQTLH-ZIAGYGMSSA-N 1 2 295.314 1.249 20 5 CDBDLO CN1CCO[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232680 375018805 /nfs/dbraw/zinc/01/88/05/375018805.db2.gz OYHKQBANPDQTLH-ZIAGYGMSSA-N 1 2 295.314 1.249 20 5 CDBDLO CN1CCO[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332232680 375018809 /nfs/dbraw/zinc/01/88/09/375018809.db2.gz OYHKQBANPDQTLH-ZIAGYGMSSA-N 1 2 295.314 1.249 20 5 CDBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCNC1=O ZINC000282455716 375086469 /nfs/dbraw/zinc/08/64/69/375086469.db2.gz STMDEUJLFVCTJJ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCNC1=O ZINC000282455716 375086473 /nfs/dbraw/zinc/08/64/73/375086473.db2.gz STMDEUJLFVCTJJ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO O=[N+]([O-])c1ccnn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000127993271 375094367 /nfs/dbraw/zinc/09/43/67/375094367.db2.gz NVYXPGYFCGLFHJ-UHFFFAOYSA-N 1 2 270.252 1.420 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](O)C2)c(F)c1 ZINC000284146940 375131463 /nfs/dbraw/zinc/13/14/63/375131463.db2.gz QJCRLKQCFGXMHG-SECBINFHSA-N 1 2 272.251 1.830 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c(F)c1 ZINC000284146940 375131468 /nfs/dbraw/zinc/13/14/68/375131468.db2.gz QJCRLKQCFGXMHG-SECBINFHSA-N 1 2 272.251 1.830 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000162019980 375257443 /nfs/dbraw/zinc/25/74/43/375257443.db2.gz YFDDDKKGGXBUEX-LBPRGKRZSA-N 1 2 277.324 1.743 20 5 CDBDLO Cc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000162019980 375257448 /nfs/dbraw/zinc/25/74/48/375257448.db2.gz YFDDDKKGGXBUEX-LBPRGKRZSA-N 1 2 277.324 1.743 20 5 CDBDLO O=[N+]([O-])c1cc(Cn2cc[nH+]c2)c2c(c1)COCO2 ZINC000029594166 375442100 /nfs/dbraw/zinc/44/21/00/375442100.db2.gz SAIFUFZBZZTCOJ-UHFFFAOYSA-N 1 2 261.237 1.706 20 5 CDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2cnnc2C1 ZINC000353639483 375636743 /nfs/dbraw/zinc/63/67/43/375636743.db2.gz WEEMFCDHNDVPBA-HYXAFXHYSA-N 1 2 285.307 1.715 20 5 CDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2cnnc2C1 ZINC000353639483 375636748 /nfs/dbraw/zinc/63/67/48/375636748.db2.gz WEEMFCDHNDVPBA-HYXAFXHYSA-N 1 2 285.307 1.715 20 5 CDBDLO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171077314 376101255 /nfs/dbraw/zinc/10/12/55/376101255.db2.gz FNJQWONOGVPJOT-JTQLQIEISA-N 1 2 251.286 1.291 20 5 CDBDLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171077314 376101257 /nfs/dbraw/zinc/10/12/57/376101257.db2.gz FNJQWONOGVPJOT-JTQLQIEISA-N 1 2 251.286 1.291 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOCC1CC1 ZINC000446727733 250310180 /nfs/dbraw/zinc/31/01/80/250310180.db2.gz FTGCPAHHIRDSGJ-UHFFFAOYSA-N 1 2 268.317 1.187 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOCC1CC1 ZINC000446727733 250310183 /nfs/dbraw/zinc/31/01/83/250310183.db2.gz FTGCPAHHIRDSGJ-UHFFFAOYSA-N 1 2 268.317 1.187 20 5 CDBDLO CCC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000174856507 379592961 /nfs/dbraw/zinc/59/29/61/379592961.db2.gz USSRFEDWCAANSG-LBPRGKRZSA-N 1 2 284.316 1.113 20 5 CDBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000187008294 390167852 /nfs/dbraw/zinc/16/78/52/390167852.db2.gz DXNDZAPYOGFBSA-LLVKDONJSA-N 1 2 293.323 1.136 20 5 CDBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000187008294 390167853 /nfs/dbraw/zinc/16/78/53/390167853.db2.gz DXNDZAPYOGFBSA-LLVKDONJSA-N 1 2 293.323 1.136 20 5 CDBDLO CC[C@@H](C(N)=O)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179373867 390954255 /nfs/dbraw/zinc/95/42/55/390954255.db2.gz NRRPCKDEOTVCBZ-NSHDSACASA-N 1 2 285.731 1.944 20 5 CDBDLO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179373867 390954256 /nfs/dbraw/zinc/95/42/56/390954256.db2.gz NRRPCKDEOTVCBZ-NSHDSACASA-N 1 2 285.731 1.944 20 5 CDBDLO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000449643598 391121650 /nfs/dbraw/zinc/12/16/50/391121650.db2.gz ILEXJDOOCUOCNY-GXSJLCMTSA-N 1 2 293.323 1.548 20 5 CDBDLO COC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192807193 392145049 /nfs/dbraw/zinc/14/50/49/392145049.db2.gz BJXHRBDAAOPEAA-UHFFFAOYSA-N 1 2 295.295 1.028 20 5 CDBDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192807193 392145060 /nfs/dbraw/zinc/14/50/60/392145060.db2.gz BJXHRBDAAOPEAA-UHFFFAOYSA-N 1 2 295.295 1.028 20 5 CDBDLO CC(C)(O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459606599 392491120 /nfs/dbraw/zinc/49/11/20/392491120.db2.gz DHSSJGHKBYIBMU-UHFFFAOYSA-N 1 2 268.288 1.937 20 5 CDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000523679658 392890898 /nfs/dbraw/zinc/89/08/98/392890898.db2.gz AEGDPZGTUTYRMW-UHFFFAOYSA-N 1 2 278.293 1.550 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000421362886 292102314 /nfs/dbraw/zinc/10/23/14/292102314.db2.gz OFXAXCKJGJLTFG-ZDUSSCGKSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000421362886 292102316 /nfs/dbraw/zinc/10/23/16/292102316.db2.gz OFXAXCKJGJLTFG-ZDUSSCGKSA-N 1 2 294.351 1.875 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000355947638 157295145 /nfs/dbraw/zinc/29/51/45/157295145.db2.gz TVAQYBXXFJTZRW-ZDUSSCGKSA-N 1 2 290.323 1.494 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000355947638 157295146 /nfs/dbraw/zinc/29/51/46/157295146.db2.gz TVAQYBXXFJTZRW-ZDUSSCGKSA-N 1 2 290.323 1.494 20 5 CDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000359465101 158255784 /nfs/dbraw/zinc/25/57/84/158255784.db2.gz VCRWOIRKQAVUMQ-UHFFFAOYSA-N 1 2 288.263 1.153 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359510927 158270140 /nfs/dbraw/zinc/27/01/40/158270140.db2.gz BHCSYJFHPSQMDP-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359526181 158277139 /nfs/dbraw/zinc/27/71/39/158277139.db2.gz BQWGSVSZEGYINS-LLVKDONJSA-N 1 2 294.286 1.291 20 5 CDBDLO CNC(=O)C1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285022609 196180312 /nfs/dbraw/zinc/18/03/12/196180312.db2.gz MQECJQSMHBBFTL-UHFFFAOYSA-N 1 2 283.715 1.426 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285438173 196284361 /nfs/dbraw/zinc/28/43/61/196284361.db2.gz XHNODEGOTURUQV-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285438173 196284362 /nfs/dbraw/zinc/28/43/62/196284362.db2.gz XHNODEGOTURUQV-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO C[C@H](O)C[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000293179482 290116984 /nfs/dbraw/zinc/11/69/84/290116984.db2.gz TUWSDNUJRPEXIJ-JTQLQIEISA-N 1 2 299.758 1.751 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338587715 527385739 /nfs/dbraw/zinc/38/57/39/527385739.db2.gz LOJWWYCTOVUEPV-GFCCVEGCSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338587715 527385741 /nfs/dbraw/zinc/38/57/41/527385741.db2.gz LOJWWYCTOVUEPV-GFCCVEGCSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000731678993 575059403 /nfs/dbraw/zinc/05/94/03/575059403.db2.gz VPRVWGWVJPXAKX-LBPRGKRZSA-N 1 2 262.269 1.141 20 5 CDBDLO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000746001319 576750074 /nfs/dbraw/zinc/75/00/74/576750074.db2.gz DRAVVBCMUXOXST-SECBINFHSA-N 1 2 295.343 1.047 20 5 CDBDLO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000746001319 576750076 /nfs/dbraw/zinc/75/00/76/576750076.db2.gz DRAVVBCMUXOXST-SECBINFHSA-N 1 2 295.343 1.047 20 5 CDBDLO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000746001319 576750079 /nfs/dbraw/zinc/75/00/79/576750079.db2.gz DRAVVBCMUXOXST-SECBINFHSA-N 1 2 295.343 1.047 20 5 CDBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000746001319 576750080 /nfs/dbraw/zinc/75/00/80/576750080.db2.gz DRAVVBCMUXOXST-SECBINFHSA-N 1 2 295.343 1.047 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000748001307 576892186 /nfs/dbraw/zinc/89/21/86/576892186.db2.gz YQSXYEXQRHOXFQ-UHFFFAOYSA-N 1 2 289.295 1.447 20 5 CDBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C ZINC000905852604 627022410 /nfs/dbraw/zinc/02/24/10/627022410.db2.gz JQJIHMHQJPDGCV-IUCAKERBSA-N 1 2 276.300 1.530 20 5 CDBDLO CC[N@H+](CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000921046663 632872558 /nfs/dbraw/zinc/87/25/58/632872558.db2.gz OYPIORGYEQXCFL-UHFFFAOYSA-N 1 2 256.306 1.334 20 5 CDBDLO CC[N@@H+](CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000921046663 632872560 /nfs/dbraw/zinc/87/25/60/632872560.db2.gz OYPIORGYEQXCFL-UHFFFAOYSA-N 1 2 256.306 1.334 20 5 CDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001170340125 1162346644 /nfs/dbraw/zinc/34/66/44/1162346644.db2.gz TURKBABGHLUHDZ-UHFFFAOYSA-N 1 2 296.714 1.949 20 5 CDBDLO COC(=O)c1ccnc(NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001157530966 1162156308 /nfs/dbraw/zinc/15/63/08/1162156308.db2.gz KCVVBABASHNRFD-UHFFFAOYSA-N 1 2 294.311 1.281 20 5 CDBDLO C[N@@H+](CC[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000929468390 730485301 /nfs/dbraw/zinc/48/53/01/730485301.db2.gz KEHRSFBCEVNXBM-CYBMUJFWSA-N 1 2 250.298 1.509 20 5 CDBDLO C[N@H+](CC[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000929468390 730485297 /nfs/dbraw/zinc/48/52/97/730485297.db2.gz KEHRSFBCEVNXBM-CYBMUJFWSA-N 1 2 250.298 1.509 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C ZINC000872771081 730745295 /nfs/dbraw/zinc/74/52/95/730745295.db2.gz FFMMTXRXQXLPBM-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C ZINC000872771081 730745297 /nfs/dbraw/zinc/74/52/97/730745297.db2.gz FFMMTXRXQXLPBM-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO C[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)[NH+](C)C ZINC000812812274 731081111 /nfs/dbraw/zinc/08/11/11/731081111.db2.gz CXEIDKPTELAAHK-QMMMGPOBSA-N 1 2 256.306 1.680 20 5 CDBDLO C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814036618 731644966 /nfs/dbraw/zinc/64/49/66/731644966.db2.gz HISLTOJKWYGGQI-SNVBAGLBSA-N 1 2 275.264 1.694 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCn3cccc3C2)c1 ZINC000932528541 732650959 /nfs/dbraw/zinc/65/09/59/732650959.db2.gz HFWPFFFPBIYUCV-OAHLLOKOSA-N 1 2 287.319 1.946 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCn3cccc3C2)c1 ZINC000932528541 732650970 /nfs/dbraw/zinc/65/09/70/732650970.db2.gz HFWPFFFPBIYUCV-OAHLLOKOSA-N 1 2 287.319 1.946 20 5 CDBDLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212517 912337519 /nfs/dbraw/zinc/33/75/19/912337519.db2.gz AMIISHNHMDQUBK-UWVGGRQHSA-N 1 2 266.297 1.677 20 5 CDBDLO CC(C)(C)c1ccc(-n2[nH]c(=O)nc2C[NH3+])c([N+](=O)[O-])c1 ZINC001168761739 923313875 /nfs/dbraw/zinc/31/38/75/923313875.db2.gz UZGJBLZVNDCGFS-UHFFFAOYSA-N 1 2 291.311 1.637 20 5 CDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCC1=O ZINC000857236136 928684662 /nfs/dbraw/zinc/68/46/62/928684662.db2.gz XARLXRAEYVWFBP-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCC1=O ZINC000857236136 928684667 /nfs/dbraw/zinc/68/46/67/928684667.db2.gz XARLXRAEYVWFBP-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO C[NH+](C)Cc1nnc(CCNc2ccccc2[N+](=O)[O-])o1 ZINC001117260635 937504451 /nfs/dbraw/zinc/50/44/51/937504451.db2.gz PMNBEQRIEBFWSM-UHFFFAOYSA-N 1 2 291.311 1.694 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001157462555 938496385 /nfs/dbraw/zinc/49/63/85/938496385.db2.gz NKIPSLQPXUFAQD-UHFFFAOYSA-N 1 2 276.300 1.295 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001162682795 939115340 /nfs/dbraw/zinc/11/53/40/939115340.db2.gz HJJOOQAOQJSASE-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001162682795 939115341 /nfs/dbraw/zinc/11/53/41/939115341.db2.gz HJJOOQAOQJSASE-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO COc1c(F)cc(NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162688723 939117972 /nfs/dbraw/zinc/11/79/72/939117972.db2.gz TZBMUWAGXKHMOS-JTQLQIEISA-N 1 2 299.302 1.485 20 5 CDBDLO COc1c(F)cc(NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162688723 939117974 /nfs/dbraw/zinc/11/79/74/939117974.db2.gz TZBMUWAGXKHMOS-JTQLQIEISA-N 1 2 299.302 1.485 20 5 CDBDLO COC(=O)c1c(COC2C[NH+](C)C2)cccc1[N+](=O)[O-] ZINC001223293189 941667882 /nfs/dbraw/zinc/66/78/82/941667882.db2.gz IBACLNOFNBXHCR-UHFFFAOYSA-N 1 2 280.280 1.212 20 5 CDBDLO CC[NH+]1CC(OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223665542 941690692 /nfs/dbraw/zinc/69/06/92/941690692.db2.gz UIVWUVUUHUKUMW-UHFFFAOYSA-N 1 2 294.307 1.602 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015370 942258588 /nfs/dbraw/zinc/25/85/88/942258588.db2.gz CPYBAOIJWLIHDR-VIFPVBQESA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015370 942258589 /nfs/dbraw/zinc/25/85/89/942258589.db2.gz CPYBAOIJWLIHDR-VIFPVBQESA-N 1 2 288.250 1.582 20 5 CDBDLO CC[NH+]1CC(Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803231 942379185 /nfs/dbraw/zinc/37/91/85/942379185.db2.gz WRFWMJMIONCKIO-UHFFFAOYSA-N 1 2 290.275 1.784 20 5 CDBDLO Cc1cc(O)c(OC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001229755136 942525992 /nfs/dbraw/zinc/52/59/92/942525992.db2.gz WAYXQIXQYHKUCJ-SNVBAGLBSA-N 1 2 282.296 1.318 20 5 CDBDLO Cc1cc(O)c(OC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001229755136 942525998 /nfs/dbraw/zinc/52/59/98/942525998.db2.gz WAYXQIXQYHKUCJ-SNVBAGLBSA-N 1 2 282.296 1.318 20 5 CDBDLO Cc1ccc(C)c([N+](=O)[O-])c1OC[C@H]1C[N@H+](C)CCO1 ZINC001231061935 942770862 /nfs/dbraw/zinc/77/08/62/942770862.db2.gz WIMWBCDFJLYTJK-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1ccc(C)c([N+](=O)[O-])c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001231061935 942770866 /nfs/dbraw/zinc/77/08/66/942770866.db2.gz WIMWBCDFJLYTJK-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564737 947527675 /nfs/dbraw/zinc/52/76/75/947527675.db2.gz MQYSLTPSCGDAFN-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564737 947527684 /nfs/dbraw/zinc/52/76/84/947527684.db2.gz MQYSLTPSCGDAFN-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608797 947555948 /nfs/dbraw/zinc/55/59/48/947555948.db2.gz SPOKMQKRMFNDGA-GFCCVEGCSA-N 1 2 264.281 1.167 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608797 947555951 /nfs/dbraw/zinc/55/59/51/947555951.db2.gz SPOKMQKRMFNDGA-GFCCVEGCSA-N 1 2 264.281 1.167 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001333007500 958012079 /nfs/dbraw/zinc/01/20/79/958012079.db2.gz YBFYKPAXGZJUPV-JTQLQIEISA-N 1 2 269.276 1.341 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001333007500 958012095 /nfs/dbraw/zinc/01/20/95/958012095.db2.gz YBFYKPAXGZJUPV-JTQLQIEISA-N 1 2 269.276 1.341 20 5 CDBDLO CCN(C)C(=O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322726814 960308115 /nfs/dbraw/zinc/30/81/15/960308115.db2.gz XGTKXBSMEKZSBF-UHFFFAOYSA-N 1 2 277.324 1.779 20 5 CDBDLO CCN(C)C(=O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322726814 960308123 /nfs/dbraw/zinc/30/81/23/960308123.db2.gz XGTKXBSMEKZSBF-UHFFFAOYSA-N 1 2 277.324 1.779 20 5 CDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894457 362095002 /nfs/dbraw/zinc/09/50/02/362095002.db2.gz TVVSSYABAXEXSJ-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894457 362095010 /nfs/dbraw/zinc/09/50/10/362095010.db2.gz TVVSSYABAXEXSJ-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO CN1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCC1=O ZINC000595774221 343148459 /nfs/dbraw/zinc/14/84/59/343148459.db2.gz UYAGASAVNIEALI-UHFFFAOYSA-N 1 2 281.287 1.398 20 5 CDBDLO CN1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCC1=O ZINC000595774221 343148461 /nfs/dbraw/zinc/14/84/61/343148461.db2.gz UYAGASAVNIEALI-UHFFFAOYSA-N 1 2 281.287 1.398 20 5 CDBDLO COCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353441149 362165369 /nfs/dbraw/zinc/16/53/69/362165369.db2.gz LRNQCUHRPUAARQ-ZDUSSCGKSA-N 1 2 290.323 1.654 20 5 CDBDLO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598342502 343771029 /nfs/dbraw/zinc/77/10/29/343771029.db2.gz OCFBAXLNSPMDIN-JTQLQIEISA-N 1 2 293.323 1.515 20 5 CDBDLO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598342502 343771032 /nfs/dbraw/zinc/77/10/32/343771032.db2.gz OCFBAXLNSPMDIN-JTQLQIEISA-N 1 2 293.323 1.515 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598947803 343932716 /nfs/dbraw/zinc/93/27/16/343932716.db2.gz NEZBYJLPVUNWNV-SNVBAGLBSA-N 1 2 299.334 1.917 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cnc(N)nc2C1 ZINC000598947803 343932719 /nfs/dbraw/zinc/93/27/19/343932719.db2.gz NEZBYJLPVUNWNV-SNVBAGLBSA-N 1 2 299.334 1.917 20 5 CDBDLO O=C(Nc1cc[nH+]cc1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343009843 362277678 /nfs/dbraw/zinc/27/76/78/362277678.db2.gz SPQARDBDJFJWHE-UHFFFAOYSA-N 1 2 298.258 1.851 20 5 CDBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000015367861 282353388 /nfs/dbraw/zinc/35/33/88/282353388.db2.gz KOWDIXZQTGDYOJ-UHFFFAOYSA-N 1 2 263.297 1.305 20 5 CDBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000015367861 282353389 /nfs/dbraw/zinc/35/33/89/282353389.db2.gz KOWDIXZQTGDYOJ-UHFFFAOYSA-N 1 2 263.297 1.305 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000603839424 344839046 /nfs/dbraw/zinc/83/90/46/344839046.db2.gz BQWJGEYGBBJINC-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000604563237 344901607 /nfs/dbraw/zinc/90/16/07/344901607.db2.gz NKMSMRFLCRZUCO-SECBINFHSA-N 1 2 299.352 1.107 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000604563237 344901609 /nfs/dbraw/zinc/90/16/09/344901609.db2.gz NKMSMRFLCRZUCO-SECBINFHSA-N 1 2 299.352 1.107 20 5 CDBDLO COc1cc[nH+]cc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000344117054 362542929 /nfs/dbraw/zinc/54/29/29/362542929.db2.gz XWXYIUPJQJZNIY-UHFFFAOYSA-N 1 2 295.682 1.862 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCSCC1)OCCO2 ZINC000611253796 346721371 /nfs/dbraw/zinc/72/13/71/346721371.db2.gz WOEDUCDMJQBVST-UHFFFAOYSA-N 1 2 296.348 1.915 20 5 CDBDLO Nc1nc(NCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000058194158 347214144 /nfs/dbraw/zinc/21/41/44/347214144.db2.gz FOSDDCSSVGYFRH-UHFFFAOYSA-N 1 2 285.267 1.227 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000018060139 348531287 /nfs/dbraw/zinc/53/12/87/348531287.db2.gz BMWVHPAXRQLXEY-UHFFFAOYSA-N 1 2 289.295 1.064 20 5 CDBDLO CCc1nn(C)c(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091575882 180197306 /nfs/dbraw/zinc/19/73/06/180197306.db2.gz JREAOYZIMFFDBX-UHFFFAOYSA-N 1 2 264.289 1.199 20 5 CDBDLO Cc1cccc(CCNc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC000280210241 351422087 /nfs/dbraw/zinc/42/20/87/351422087.db2.gz GOLLHOPRCXMMFQ-UHFFFAOYSA-N 1 2 261.285 1.686 20 5 CDBDLO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286084364 356215571 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CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000134972056 356872885 /nfs/dbraw/zinc/87/28/85/356872885.db2.gz KJSZQMKHJIFYTQ-GFCCVEGCSA-N 1 2 266.297 1.679 20 5 CDBDLO CS(=O)(=O)CCn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000049002169 357204228 /nfs/dbraw/zinc/20/42/28/357204228.db2.gz WFOCTYMWRNFLNB-UHFFFAOYSA-N 1 2 295.320 1.503 20 5 CDBDLO C[N@@H+]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000395495971 358670049 /nfs/dbraw/zinc/67/00/49/358670049.db2.gz PHNAUQIFXXBXJF-MRVPVSSYSA-N 1 2 265.269 1.191 20 5 CDBDLO C[N@H+]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000395495971 358670052 /nfs/dbraw/zinc/67/00/52/358670052.db2.gz PHNAUQIFXXBXJF-MRVPVSSYSA-N 1 2 265.269 1.191 20 5 CDBDLO COC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000176238441 358745726 /nfs/dbraw/zinc/74/57/26/358745726.db2.gz GUKSOQFNUCDLIE-UHFFFAOYSA-N 1 2 296.327 1.257 20 5 CDBDLO O=C1NCC[C@]12CCC[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000567623954 358709124 /nfs/dbraw/zinc/70/91/24/358709124.db2.gz ASLMXPACBMIJQW-CQSZACIVSA-N 1 2 291.307 1.155 20 5 CDBDLO O=C1NCC[C@]12CCC[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000567623954 358709127 /nfs/dbraw/zinc/70/91/27/358709127.db2.gz ASLMXPACBMIJQW-CQSZACIVSA-N 1 2 291.307 1.155 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051179887 366520540 /nfs/dbraw/zinc/52/05/40/366520540.db2.gz QZHNNKHHEJLEDL-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051179887 366520543 /nfs/dbraw/zinc/52/05/43/366520543.db2.gz QZHNNKHHEJLEDL-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO CCc1nn(C)c(NCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000538743433 358894091 /nfs/dbraw/zinc/89/40/91/358894091.db2.gz DKFGWMOEPUWKRV-JTQLQIEISA-N 1 2 297.359 1.023 20 5 CDBDLO CCc1nn(C)c(NCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000538743433 358894096 /nfs/dbraw/zinc/89/40/96/358894096.db2.gz DKFGWMOEPUWKRV-JTQLQIEISA-N 1 2 297.359 1.023 20 5 CDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342356062 359017078 /nfs/dbraw/zinc/01/70/78/359017078.db2.gz KNCLYQCFELHUBK-SECBINFHSA-N 1 2 296.302 1.237 20 5 CDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342356062 359017080 /nfs/dbraw/zinc/01/70/80/359017080.db2.gz KNCLYQCFELHUBK-SECBINFHSA-N 1 2 296.302 1.237 20 5 CDBDLO O=C(C[N@H+]1CCC[C@@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000339783342 359437600 /nfs/dbraw/zinc/43/76/00/359437600.db2.gz QRUWIEYLFJGNAD-LLVKDONJSA-N 1 2 293.323 1.380 20 5 CDBDLO O=C(C[N@@H+]1CCC[C@@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000339783342 359437605 /nfs/dbraw/zinc/43/76/05/359437605.db2.gz QRUWIEYLFJGNAD-LLVKDONJSA-N 1 2 293.323 1.380 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000298147690 200345687 /nfs/dbraw/zinc/34/56/87/200345687.db2.gz GZJCRWLWAYLVCQ-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000367572194 363967452 /nfs/dbraw/zinc/96/74/52/363967452.db2.gz DDVJSHJMWBLIRK-GJZGRUSLSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000367572194 363967456 /nfs/dbraw/zinc/96/74/56/363967456.db2.gz DDVJSHJMWBLIRK-GJZGRUSLSA-N 1 2 292.335 1.975 20 5 CDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456376032 364280695 /nfs/dbraw/zinc/28/06/95/364280695.db2.gz HKYKEUDGGYLDQH-QMMMGPOBSA-N 1 2 277.284 1.630 20 5 CDBDLO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182137606 365073234 /nfs/dbraw/zinc/07/32/34/365073234.db2.gz AIELRKWVQYTBNA-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182137606 365073235 /nfs/dbraw/zinc/07/32/35/365073235.db2.gz AIELRKWVQYTBNA-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc[nH+]1 ZINC000122146227 366915625 /nfs/dbraw/zinc/91/56/25/366915625.db2.gz JODQPLZVOCTPHQ-UHFFFAOYSA-N 1 2 261.241 1.284 20 5 CDBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000153118309 367033502 /nfs/dbraw/zinc/03/35/02/367033502.db2.gz KKIXSMWZCYIOFO-RYUDHWBXSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000153118309 367033508 /nfs/dbraw/zinc/03/35/08/367033508.db2.gz KKIXSMWZCYIOFO-RYUDHWBXSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H](CO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272509079 367744008 /nfs/dbraw/zinc/74/40/08/367744008.db2.gz IOZIHHSWVXJKEX-MFKMUULPSA-N 1 2 290.323 1.388 20 5 CDBDLO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000272390063 367717493 /nfs/dbraw/zinc/71/74/93/367717493.db2.gz LAPQPIOMYFDMDI-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000272390063 367717500 /nfs/dbraw/zinc/71/75/00/367717500.db2.gz LAPQPIOMYFDMDI-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057211645 375405046 /nfs/dbraw/zinc/40/50/46/375405046.db2.gz ODJQXEAZAKHLCZ-UHFFFAOYSA-N 1 2 265.313 1.551 20 5 CDBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057211645 375405050 /nfs/dbraw/zinc/40/50/50/375405050.db2.gz ODJQXEAZAKHLCZ-UHFFFAOYSA-N 1 2 265.313 1.551 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352815719 375539957 /nfs/dbraw/zinc/53/99/57/375539957.db2.gz MTXTUTMVCXYEFF-QWHCGFSZSA-N 1 2 296.323 1.185 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352815719 375539961 /nfs/dbraw/zinc/53/99/61/375539961.db2.gz MTXTUTMVCXYEFF-QWHCGFSZSA-N 1 2 296.323 1.185 20 5 CDBDLO Cn1c(CCn2cnc([N+](=O)[O-])c2)[nH+]c2ccccc21 ZINC000345402496 378498477 /nfs/dbraw/zinc/49/84/77/378498477.db2.gz JCMQXOYXRQZPCH-UHFFFAOYSA-N 1 2 271.280 1.921 20 5 CDBDLO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1F ZINC000266999230 379018418 /nfs/dbraw/zinc/01/84/18/379018418.db2.gz CFDUTYJEAQSARW-UHFFFAOYSA-N 1 2 283.303 1.692 20 5 CDBDLO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1F ZINC000266999230 379018427 /nfs/dbraw/zinc/01/84/27/379018427.db2.gz CFDUTYJEAQSARW-UHFFFAOYSA-N 1 2 283.303 1.692 20 5 CDBDLO O=[N+]([O-])c1cc(Br)cnc1-n1cc[nH+]c1 ZINC000042388719 285083188 /nfs/dbraw/zinc/08/31/88/285083188.db2.gz XQNKTIBWILCUPF-UHFFFAOYSA-N 1 2 269.058 1.938 20 5 CDBDLO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262467621 390450528 /nfs/dbraw/zinc/45/05/28/390450528.db2.gz XYODVKGCYQCKGD-WCBMZHEXSA-N 1 2 279.296 1.110 20 5 CDBDLO CN1CC[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088607624 391443188 /nfs/dbraw/zinc/44/31/88/391443188.db2.gz KRBFMGFHYXOLHK-ZDUSSCGKSA-N 1 2 275.308 1.184 20 5 CDBDLO CN1CC[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088607624 391443190 /nfs/dbraw/zinc/44/31/90/391443190.db2.gz KRBFMGFHYXOLHK-ZDUSSCGKSA-N 1 2 275.308 1.184 20 5 CDBDLO CCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000495259915 391908224 /nfs/dbraw/zinc/90/82/24/391908224.db2.gz BSZKAVJSICGQDD-GFCCVEGCSA-N 1 2 291.351 1.690 20 5 CDBDLO CCN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000495259915 391908226 /nfs/dbraw/zinc/90/82/26/391908226.db2.gz BSZKAVJSICGQDD-GFCCVEGCSA-N 1 2 291.351 1.690 20 5 CDBDLO COCC1(O)C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459632766 392494321 /nfs/dbraw/zinc/49/43/21/392494321.db2.gz FGWXNYBNHFQXNO-SDQBBNPISA-N 1 2 292.335 1.691 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000421362885 392933348 /nfs/dbraw/zinc/93/33/48/392933348.db2.gz OFXAXCKJGJLTFG-CYBMUJFWSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000421362885 392933353 /nfs/dbraw/zinc/93/33/53/392933353.db2.gz OFXAXCKJGJLTFG-CYBMUJFWSA-N 1 2 294.351 1.875 20 5 CDBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])cn1 ZINC000431408395 393109555 /nfs/dbraw/zinc/10/95/55/393109555.db2.gz VIWWCSBJMOZSIB-UHFFFAOYSA-N 1 2 260.253 1.427 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251935647 140315513 /nfs/dbraw/zinc/31/55/13/140315513.db2.gz UGIHILRNMGKGNR-FZMZJTMJSA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251935647 140315514 /nfs/dbraw/zinc/31/55/14/140315514.db2.gz UGIHILRNMGKGNR-FZMZJTMJSA-N 1 2 280.324 1.831 20 5 CDBDLO CN(C)S(=O)(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343216751 152071045 /nfs/dbraw/zinc/07/10/45/152071045.db2.gz LHOULMWFHOINAD-UHFFFAOYSA-N 1 2 296.308 1.031 20 5 CDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1c[nH+]c[nH]1 ZINC000359673274 158331267 /nfs/dbraw/zinc/33/12/67/158331267.db2.gz BEKMTPWCPILTEN-UHFFFAOYSA-N 1 2 289.295 1.436 20 5 CDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1c[nH]c[nH+]1 ZINC000359673274 158331269 /nfs/dbraw/zinc/33/12/69/158331269.db2.gz BEKMTPWCPILTEN-UHFFFAOYSA-N 1 2 289.295 1.436 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359691167 158337661 /nfs/dbraw/zinc/33/76/61/158337661.db2.gz ILZWYORIDWCYGL-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359691167 158337665 /nfs/dbraw/zinc/33/76/65/158337665.db2.gz ILZWYORIDWCYGL-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO O=C1OC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000363841587 159346023 /nfs/dbraw/zinc/34/60/23/159346023.db2.gz JLCJQJHDFNARJQ-LBPRGKRZSA-N 1 2 277.280 1.231 20 5 CDBDLO O=C1OC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000363841587 159346025 /nfs/dbraw/zinc/34/60/25/159346025.db2.gz JLCJQJHDFNARJQ-LBPRGKRZSA-N 1 2 277.280 1.231 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000364036183 159367429 /nfs/dbraw/zinc/36/74/29/159367429.db2.gz IYPMVDJJXIPCDR-GFCCVEGCSA-N 1 2 295.314 1.645 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nnc2ccccn21 ZINC000020185670 171048659 /nfs/dbraw/zinc/04/86/59/171048659.db2.gz VUIYRTFQSBFWNB-UHFFFAOYSA-N 1 2 283.291 1.927 20 5 CDBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000020474782 171219370 /nfs/dbraw/zinc/21/93/70/171219370.db2.gz YTYRKANWUJEWHQ-UHFFFAOYSA-N 1 2 269.276 1.478 20 5 CDBDLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000076570378 177040211 /nfs/dbraw/zinc/04/02/11/177040211.db2.gz IVRCROLMSKMTLL-NSHDSACASA-N 1 2 293.323 1.443 20 5 CDBDLO COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000076570378 177040213 /nfs/dbraw/zinc/04/02/13/177040213.db2.gz IVRCROLMSKMTLL-NSHDSACASA-N 1 2 293.323 1.443 20 5 CDBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(N)=O ZINC000078534008 177350757 /nfs/dbraw/zinc/35/07/57/177350757.db2.gz CTSPKPRQVXFRNE-NSHDSACASA-N 1 2 295.339 1.225 20 5 CDBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(N)=O ZINC000078534008 177350758 /nfs/dbraw/zinc/35/07/58/177350758.db2.gz CTSPKPRQVXFRNE-NSHDSACASA-N 1 2 295.339 1.225 20 5 CDBDLO CNc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000049933507 424461762 /nfs/dbraw/zinc/46/17/62/424461762.db2.gz MVWGDVVGUBCQIN-UHFFFAOYSA-N 1 2 289.295 1.263 20 5 CDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1[nH]cc[nH+]1 ZINC000087353041 270230460 /nfs/dbraw/zinc/23/04/60/270230460.db2.gz HIMXMKFDPUQTDN-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO Cc1cc(C)c(CNc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC000397493925 280705756 /nfs/dbraw/zinc/70/57/56/280705756.db2.gz NTWQRMVRCGXZGT-UHFFFAOYSA-N 1 2 261.285 1.952 20 5 CDBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCC1 ZINC000438518418 289058041 /nfs/dbraw/zinc/05/80/41/289058041.db2.gz SQCRMYMZMCRZJK-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cccc(C(=O)NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000544365689 289634602 /nfs/dbraw/zinc/63/46/02/289634602.db2.gz ORFFBKRHPGJBBU-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO O=c1c(F)cc([N+](=O)[O-])cn1CCCn1cc[nH+]c1 ZINC000584112818 327040276 /nfs/dbraw/zinc/04/02/76/327040276.db2.gz LVVVNADEFUDTRL-UHFFFAOYSA-N 1 2 266.232 1.182 20 5 CDBDLO Cc1ccc(NC[C@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000068806365 525281427 /nfs/dbraw/zinc/28/14/27/525281427.db2.gz PYZFPPYQGSMUQC-LBPRGKRZSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1ccc(NC[C@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000068806365 525281435 /nfs/dbraw/zinc/28/14/35/525281435.db2.gz PYZFPPYQGSMUQC-LBPRGKRZSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000052812672 525578370 /nfs/dbraw/zinc/57/83/70/525578370.db2.gz IFYNSVZGCTUSNT-JTQLQIEISA-N 1 2 261.285 1.995 20 5 CDBDLO Cc1[nH+]c2ccccn2c1Cn1nccc1[N+](=O)[O-] ZINC000150904777 527180103 /nfs/dbraw/zinc/18/01/03/527180103.db2.gz JQBAYOWBKOOAKK-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1CCn1cc[nH+]c1 ZINC000338157469 527451649 /nfs/dbraw/zinc/45/16/49/527451649.db2.gz RPBPHBFMLSEFEN-UHFFFAOYSA-N 1 2 268.660 1.307 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)n(C)n1 ZINC000414325147 536956262 /nfs/dbraw/zinc/95/62/62/536956262.db2.gz JVWNGRWQBIAXCK-UHFFFAOYSA-N 1 2 290.323 1.935 20 5 CDBDLO C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725777605 574435699 /nfs/dbraw/zinc/43/56/99/574435699.db2.gz GPPCFXCXBIKKIB-SSDOTTSWSA-N 1 2 289.133 1.853 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725777605 574435700 /nfs/dbraw/zinc/43/57/00/574435700.db2.gz GPPCFXCXBIKKIB-SSDOTTSWSA-N 1 2 289.133 1.853 20 5 CDBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000763288713 576729473 /nfs/dbraw/zinc/72/94/73/576729473.db2.gz QWOFUFUNTBMRPE-UHFFFAOYSA-N 1 2 290.279 1.621 20 5 CDBDLO Cc1cccc(C(=O)OCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000747782750 576884245 /nfs/dbraw/zinc/88/42/45/576884245.db2.gz JREDVHJTQDQUSA-UHFFFAOYSA-N 1 2 275.264 1.994 20 5 CDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1 ZINC000748462945 576913867 /nfs/dbraw/zinc/91/38/67/576913867.db2.gz YPPNILIUMLKMJA-CYBMUJFWSA-N 1 2 294.307 1.359 20 5 CDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1 ZINC000748462945 576913869 /nfs/dbraw/zinc/91/38/69/576913869.db2.gz YPPNILIUMLKMJA-CYBMUJFWSA-N 1 2 294.307 1.359 20 5 CDBDLO C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000892911753 617890247 /nfs/dbraw/zinc/89/02/47/617890247.db2.gz NOROKEQAKGLPHU-JQWIXIFHSA-N 1 2 290.327 1.612 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\Cl)CC2)cn1 ZINC000914812590 631572652 /nfs/dbraw/zinc/57/26/52/631572652.db2.gz QIVBWVCTMPBKIE-RJRFIUFISA-N 1 2 282.731 1.864 20 5 CDBDLO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000917615555 632257354 /nfs/dbraw/zinc/25/73/54/632257354.db2.gz LUNKIHAHUMLZTM-UHFFFAOYSA-N 1 2 275.106 1.606 20 5 CDBDLO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000917615555 632257357 /nfs/dbraw/zinc/25/73/57/632257357.db2.gz LUNKIHAHUMLZTM-UHFFFAOYSA-N 1 2 275.106 1.606 20 5 CDBDLO COc1cccc(-n2[nH]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001170339049 1162346638 /nfs/dbraw/zinc/34/66/38/1162346638.db2.gz FCWGUBRISVXVAR-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1F ZINC001157459732 1162099440 /nfs/dbraw/zinc/09/94/40/1162099440.db2.gz HBDSBCQBQKMXJA-UHFFFAOYSA-N 1 2 279.275 1.852 20 5 CDBDLO C[C@@H](CC(=O)OCCn1cc([N+](=O)[O-])cn1)n1cc[nH+]c1 ZINC000845280754 733606916 /nfs/dbraw/zinc/60/69/16/733606916.db2.gz DMSKYGISRQNFGU-JTQLQIEISA-N 1 2 293.283 1.182 20 5 CDBDLO Cc1noc(COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000853914323 734094645 /nfs/dbraw/zinc/09/46/45/734094645.db2.gz NEAJSUVMZWJXJH-RKDXNWHRSA-N 1 2 297.311 1.807 20 5 CDBDLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581600 734924757 /nfs/dbraw/zinc/92/47/57/734924757.db2.gz FJVORYQEQIPYCG-CHWSQXEVSA-N 1 2 294.307 1.266 20 5 CDBDLO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581600 734924762 /nfs/dbraw/zinc/92/47/62/734924762.db2.gz FJVORYQEQIPYCG-CHWSQXEVSA-N 1 2 294.307 1.266 20 5 CDBDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931662092 735090110 /nfs/dbraw/zinc/09/01/10/735090110.db2.gz JJYISTONWOGPLD-NSHDSACASA-N 1 2 281.287 1.348 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc([N+](=O)[O-])ccc1F ZINC001175734396 913756446 /nfs/dbraw/zinc/75/64/46/913756446.db2.gz HSMVKXGSZWMJAX-UHFFFAOYSA-N 1 2 294.242 1.679 20 5 CDBDLO O=[N+]([O-])c1nccnc1NCCc1cn2ccccc2[nH+]1 ZINC001169000958 927606585 /nfs/dbraw/zinc/60/65/85/927606585.db2.gz WPZJGJYNOZBURB-UHFFFAOYSA-N 1 2 284.279 1.687 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038187 927648234 /nfs/dbraw/zinc/64/82/34/927648234.db2.gz WNFWZVWYHVJNAQ-CMPLNLGQSA-N 1 2 291.355 1.417 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038187 927648241 /nfs/dbraw/zinc/64/82/41/927648241.db2.gz WNFWZVWYHVJNAQ-CMPLNLGQSA-N 1 2 291.355 1.417 20 5 CDBDLO C[N@@H+]1CCOC[C@@H]1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169655027 928291947 /nfs/dbraw/zinc/29/19/47/928291947.db2.gz YQQAIHFRWAZUMD-LBPRGKRZSA-N 1 2 290.323 1.819 20 5 CDBDLO C[N@H+]1CCOC[C@@H]1CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169655027 928291958 /nfs/dbraw/zinc/29/19/58/928291958.db2.gz YQQAIHFRWAZUMD-LBPRGKRZSA-N 1 2 290.323 1.819 20 5 CDBDLO CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157453264 938494135 /nfs/dbraw/zinc/49/41/35/938494135.db2.gz ASXLHEMUFSKHRJ-UHFFFAOYSA-N 1 2 285.735 1.487 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1ncc([N+](=O)[O-])c(C)n1 ZINC001157467480 938497651 /nfs/dbraw/zinc/49/76/51/938497651.db2.gz VZCWUMGNVNIHPT-UHFFFAOYSA-N 1 2 276.300 1.416 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744335 942216875 /nfs/dbraw/zinc/21/68/75/942216875.db2.gz GIHDKBWIVCOTLT-JTQLQIEISA-N 1 2 292.295 1.181 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744335 942216878 /nfs/dbraw/zinc/21/68/78/942216878.db2.gz GIHDKBWIVCOTLT-JTQLQIEISA-N 1 2 292.295 1.181 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H]3C[C@@H]31)C2 ZINC001254606459 947552276 /nfs/dbraw/zinc/55/22/76/947552276.db2.gz GTDMRMCDMPPVDU-HZSPNIEDSA-N 1 2 260.293 1.535 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H]3C[C@@H]31)C2 ZINC001254606459 947552284 /nfs/dbraw/zinc/55/22/84/947552284.db2.gz GTDMRMCDMPPVDU-HZSPNIEDSA-N 1 2 260.293 1.535 20 5 CDBDLO CCn1c2ccccc2nc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001335897762 955081129 /nfs/dbraw/zinc/08/11/29/955081129.db2.gz ODAXXVNFDGOALC-SNVBAGLBSA-N 1 2 262.313 1.984 20 5 CDBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001333001005 957999597 /nfs/dbraw/zinc/99/95/97/957999597.db2.gz CVZMMCUPBGAZAT-GFCCVEGCSA-N 1 2 258.318 1.461 20 5 CDBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC[N+](=O)[O-] ZINC001333001005 957999606 /nfs/dbraw/zinc/99/96/06/957999606.db2.gz CVZMMCUPBGAZAT-GFCCVEGCSA-N 1 2 258.318 1.461 20 5 CDBDLO CC(C)N1CC[C@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001319938636 958802548 /nfs/dbraw/zinc/80/25/48/958802548.db2.gz JWZMATNFFQLWBH-AWEZNQCLSA-N 1 2 289.335 1.920 20 5 CDBDLO CC(C)N1CC[C@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001319938636 958802565 /nfs/dbraw/zinc/80/25/65/958802565.db2.gz JWZMATNFFQLWBH-AWEZNQCLSA-N 1 2 289.335 1.920 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC001338945199 962077448 /nfs/dbraw/zinc/07/74/48/962077448.db2.gz XIAVCHQCHUZVLY-UHFFFAOYSA-N 1 2 289.295 1.006 20 5 CDBDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC001352804115 967494361 /nfs/dbraw/zinc/49/43/61/967494361.db2.gz RBHSEAKATMSYRF-NSHDSACASA-N 1 2 252.318 1.708 20 5 CDBDLO O=[N+]([O-])c1sccc1N1CCc2[nH+]c[nH]c2C1 ZINC000601166802 342485387 /nfs/dbraw/zinc/48/53/87/342485387.db2.gz SXZLODHDFHLDDA-UHFFFAOYSA-N 1 2 250.283 1.942 20 5 CDBDLO COCC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000590068741 342521677 /nfs/dbraw/zinc/52/16/77/342521677.db2.gz ZQQGOZRHWXXMLD-UHFFFAOYSA-N 1 2 296.323 1.586 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]c[nH+]c2C1 ZINC000590378328 342541019 /nfs/dbraw/zinc/54/10/19/342541019.db2.gz IKGNNVAESWVMCR-UHFFFAOYSA-N 1 2 278.293 1.578 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH+]c[nH]c2C1 ZINC000590378328 342541020 /nfs/dbraw/zinc/54/10/20/342541020.db2.gz IKGNNVAESWVMCR-UHFFFAOYSA-N 1 2 278.293 1.578 20 5 CDBDLO C[C@H](CC(=O)Nc1c([N+](=O)[O-])cnn1C)n1cc[nH+]c1 ZINC000565047048 365579168 /nfs/dbraw/zinc/57/91/68/365579168.db2.gz LDNOBIFCGDUMBQ-MRVPVSSYSA-N 1 2 278.272 1.115 20 5 CDBDLO Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000080600633 342357303 /nfs/dbraw/zinc/35/73/03/342357303.db2.gz XRVLBUSFQVGQLM-LBPRGKRZSA-N 1 2 293.371 1.346 20 5 CDBDLO CCc1cc(N)nc(SCc2onc(C)c2[N+](=O)[O-])[nH+]1 ZINC000596021650 343215293 /nfs/dbraw/zinc/21/52/93/343215293.db2.gz IENSEZJXKBOSCK-UHFFFAOYSA-N 1 2 295.324 1.948 20 5 CDBDLO CCc1nn(C)c(N(C)Cc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000596306287 343292987 /nfs/dbraw/zinc/29/29/87/343292987.db2.gz OLPMGPKICOUFHF-UHFFFAOYSA-N 1 2 264.289 1.250 20 5 CDBDLO CCc1nn(C)c(N(C)Cc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000596306287 343292988 /nfs/dbraw/zinc/29/29/88/343292988.db2.gz OLPMGPKICOUFHF-UHFFFAOYSA-N 1 2 264.289 1.250 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCOCC2)c1 ZINC000088718613 342387088 /nfs/dbraw/zinc/38/70/88/342387088.db2.gz GSTDADIWHZVOMY-UHFFFAOYSA-N 1 2 279.340 1.672 20 5 CDBDLO Cc1cnc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596426891 343311820 /nfs/dbraw/zinc/31/18/20/343311820.db2.gz CRWRVOPOMQSMEX-NEPJUHHUSA-N 1 2 294.355 1.819 20 5 CDBDLO Cc1cnc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596426891 343311822 /nfs/dbraw/zinc/31/18/22/343311822.db2.gz CRWRVOPOMQSMEX-NEPJUHHUSA-N 1 2 294.355 1.819 20 5 CDBDLO COc1cccc(NC[C@@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599160366 343970293 /nfs/dbraw/zinc/97/02/93/343970293.db2.gz GOEMIFBDKBJBOY-SNVBAGLBSA-N 1 2 281.312 1.346 20 5 CDBDLO COc1cccc(NC[C@@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599160366 343970295 /nfs/dbraw/zinc/97/02/95/343970295.db2.gz GOEMIFBDKBJBOY-SNVBAGLBSA-N 1 2 281.312 1.346 20 5 CDBDLO COC(=O)C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602798356 344588711 /nfs/dbraw/zinc/58/87/11/344588711.db2.gz ZBEZLEIXTQZRIS-UHFFFAOYSA-N 1 2 296.327 1.175 20 5 CDBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000612346629 347124759 /nfs/dbraw/zinc/12/47/59/347124759.db2.gz KZVYIGRTSRQRJV-UHFFFAOYSA-N 1 2 289.295 1.647 20 5 CDBDLO COCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054361482 347820763 /nfs/dbraw/zinc/82/07/63/347820763.db2.gz VXKWKNBCJYRLFE-UHFFFAOYSA-N 1 2 292.295 1.723 20 5 CDBDLO COCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054361482 347820767 /nfs/dbraw/zinc/82/07/67/347820767.db2.gz VXKWKNBCJYRLFE-UHFFFAOYSA-N 1 2 292.295 1.723 20 5 CDBDLO CN1CC[N@H+](C)[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000068806355 351126490 /nfs/dbraw/zinc/12/64/90/351126490.db2.gz PPSLBEMMTBBEBV-LLVKDONJSA-N 1 2 264.329 1.253 20 5 CDBDLO CN1CC[N@@H+](C)[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000068806355 351126493 /nfs/dbraw/zinc/12/64/93/351126493.db2.gz PPSLBEMMTBBEBV-LLVKDONJSA-N 1 2 264.329 1.253 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249694 363271533 /nfs/dbraw/zinc/27/15/33/363271533.db2.gz RYZZYXNHTMUJJK-SNVBAGLBSA-N 1 2 286.291 1.992 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000048336736 356789601 /nfs/dbraw/zinc/78/96/01/356789601.db2.gz XNNBILOTPALYQT-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cscn1 ZINC000176217990 358740902 /nfs/dbraw/zinc/74/09/02/358740902.db2.gz BPMTVDLQROSTKO-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cscn1 ZINC000176217990 358740906 /nfs/dbraw/zinc/74/09/06/358740906.db2.gz BPMTVDLQROSTKO-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000341714313 358796613 /nfs/dbraw/zinc/79/66/13/358796613.db2.gz DKUXVTDANYZCAI-NSHDSACASA-N 1 2 289.295 1.538 20 5 CDBDLO Cc1c(C[N@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000051148552 366488859 /nfs/dbraw/zinc/48/88/59/366488859.db2.gz MUGJPBUNOLAEKD-UHFFFAOYSA-N 1 2 291.351 1.957 20 5 CDBDLO Cc1c(C[N@@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000051148552 366488864 /nfs/dbraw/zinc/48/88/64/366488864.db2.gz MUGJPBUNOLAEKD-UHFFFAOYSA-N 1 2 291.351 1.957 20 5 CDBDLO CC(C)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1[nH]cc[nH+]1 ZINC000338882232 359192107 /nfs/dbraw/zinc/19/21/07/359192107.db2.gz XTBBLVFKIUJPON-SECBINFHSA-N 1 2 292.299 1.179 20 5 CDBDLO CC(C)[C@H](CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339084347 359286071 /nfs/dbraw/zinc/28/60/71/359286071.db2.gz UGFSJRDVTJLNPC-LBPRGKRZSA-N 1 2 268.313 1.797 20 5 CDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064459 359283269 /nfs/dbraw/zinc/28/32/69/359283269.db2.gz GNBWMKOPSASZMO-QWRGUYRKSA-N 1 2 279.340 1.825 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000168606254 361330014 /nfs/dbraw/zinc/33/00/14/361330014.db2.gz KLRNYSFJBNYQDP-GXFFZTMASA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000168606254 361330020 /nfs/dbraw/zinc/33/00/20/361330020.db2.gz KLRNYSFJBNYQDP-GXFFZTMASA-N 1 2 266.297 1.176 20 5 CDBDLO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000367382182 361356165 /nfs/dbraw/zinc/35/61/65/361356165.db2.gz QICYFNUENXSVQW-MWLCHTKSSA-N 1 2 279.271 1.075 20 5 CDBDLO CCNC(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000073022006 361553060 /nfs/dbraw/zinc/55/30/60/361553060.db2.gz YPBHETWEWRVHAQ-UHFFFAOYSA-N 1 2 292.339 1.442 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340966116 365062885 /nfs/dbraw/zinc/06/28/85/365062885.db2.gz KDYHOLBHBRBSJD-WDEREUQCSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340966116 365062887 /nfs/dbraw/zinc/06/28/87/365062887.db2.gz KDYHOLBHBRBSJD-WDEREUQCSA-N 1 2 293.323 1.297 20 5 CDBDLO Cn1ccnc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000270560717 366900256 /nfs/dbraw/zinc/90/02/56/366900256.db2.gz TXHZOXXUXWTBFN-UHFFFAOYSA-N 1 2 290.323 1.839 20 5 CDBDLO Cn1ccnc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000270560717 366900264 /nfs/dbraw/zinc/90/02/64/366900264.db2.gz TXHZOXXUXWTBFN-UHFFFAOYSA-N 1 2 290.323 1.839 20 5 CDBDLO CCc1nnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000296088959 373753054 /nfs/dbraw/zinc/75/30/54/373753054.db2.gz RBKBVMNWDLVSRZ-UHFFFAOYSA-N 1 2 275.312 1.874 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000080526859 374469780 /nfs/dbraw/zinc/46/97/80/374469780.db2.gz VJJRHALXRNIGSC-UHFFFAOYSA-N 1 2 275.268 1.982 20 5 CDBDLO Cc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000376048989 374533952 /nfs/dbraw/zinc/53/39/52/374533952.db2.gz WTHIDMFVTQUWRF-UHFFFAOYSA-N 1 2 288.311 1.731 20 5 CDBDLO COC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000093528358 374764019 /nfs/dbraw/zinc/76/40/19/374764019.db2.gz MIDMSNJAFKTBSZ-YVZNUBBCSA-N 1 2 292.335 1.955 20 5 CDBDLO COC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000093528358 374764024 /nfs/dbraw/zinc/76/40/24/374764024.db2.gz MIDMSNJAFKTBSZ-YVZNUBBCSA-N 1 2 292.335 1.955 20 5 CDBDLO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000279770797 374958216 /nfs/dbraw/zinc/95/82/16/374958216.db2.gz NBQDIJKUBALTIV-GFCCVEGCSA-N 1 2 266.297 1.679 20 5 CDBDLO C[C@@H](CO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353382866 375604074 /nfs/dbraw/zinc/60/40/74/375604074.db2.gz DADYXDAKLYIFGR-GXFFZTMASA-N 1 2 290.323 1.388 20 5 CDBDLO Cc1nc(N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000278913923 194210228 /nfs/dbraw/zinc/21/02/28/194210228.db2.gz SJFWYCQONDGXDT-NSHDSACASA-N 1 2 294.355 1.455 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC000492891357 253319338 /nfs/dbraw/zinc/31/93/38/253319338.db2.gz CQKWKFSORSBZHG-WAYWQWQTSA-N 1 2 272.264 1.648 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290763743 285132650 /nfs/dbraw/zinc/13/26/50/285132650.db2.gz UQRBUXGTKQHNJN-UHFFFAOYSA-N 1 2 289.251 1.720 20 5 CDBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152318116 391099432 /nfs/dbraw/zinc/09/94/32/391099432.db2.gz XTAVPPOTBWEZES-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152318116 391099434 /nfs/dbraw/zinc/09/94/34/391099434.db2.gz XTAVPPOTBWEZES-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO COC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449299284 391080644 /nfs/dbraw/zinc/08/06/44/391080644.db2.gz MUVYXJZUYMAIAN-NXEZZACHSA-N 1 2 266.297 1.677 20 5 CDBDLO COc1cc[nH+]c(Cn2cnc([N+](=O)[O-])c2)c1OC ZINC000191063216 130178495 /nfs/dbraw/zinc/17/84/95/130178495.db2.gz CGNQJWXLOMGPSZ-UHFFFAOYSA-N 1 2 264.241 1.252 20 5 CDBDLO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000449722384 393139621 /nfs/dbraw/zinc/13/96/21/393139621.db2.gz KSXZFFCDWGOGLX-SCZZXKLOSA-N 1 2 279.296 1.158 20 5 CDBDLO Nc1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc[nH+]1 ZINC000195524232 140159151 /nfs/dbraw/zinc/15/91/51/140159151.db2.gz RBZJYCJXRGCCMR-UHFFFAOYSA-N 1 2 298.258 1.368 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000313954699 149249541 /nfs/dbraw/zinc/24/95/41/149249541.db2.gz QDAJLSRMYLXSHV-UHFFFAOYSA-N 1 2 292.270 1.740 20 5 CDBDLO Cc1cccc(C(=O)NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000343301148 152109819 /nfs/dbraw/zinc/10/98/19/152109819.db2.gz QLGASCIUJSZCSB-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO CC(C)[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC000459473030 276008756 /nfs/dbraw/zinc/00/87/56/276008756.db2.gz CSJOYXOEMYSGOQ-CYBMUJFWSA-N 1 2 281.312 1.290 20 5 CDBDLO CCC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280135276 276205394 /nfs/dbraw/zinc/20/53/94/276205394.db2.gz YLOVMDLWIZBONE-UHFFFAOYSA-N 1 2 277.324 1.939 20 5 CDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286265548 280000138 /nfs/dbraw/zinc/00/01/38/280000138.db2.gz GYPAUJBQULYBPR-UWVGGRQHSA-N 1 2 298.368 1.351 20 5 CDBDLO CC(C)c1nc(NCCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000152545007 289137963 /nfs/dbraw/zinc/13/79/63/289137963.db2.gz KQXSAVHUUSEBHK-UHFFFAOYSA-N 1 2 276.300 1.817 20 5 CDBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nnc2n1CCC2 ZINC000576716054 317195067 /nfs/dbraw/zinc/19/50/67/317195067.db2.gz OJSAGKZOCPOHCF-LBPRGKRZSA-N 1 2 299.334 1.910 20 5 CDBDLO Cc1nc(NCCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000576790130 317207038 /nfs/dbraw/zinc/20/70/38/317207038.db2.gz AQQUTHPVACSUEH-UHFFFAOYSA-N 1 2 276.300 1.204 20 5 CDBDLO COCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073926462 1161494903 /nfs/dbraw/zinc/49/49/03/1161494903.db2.gz RQMNQFOSQSDISK-UHFFFAOYSA-N 1 2 291.263 1.584 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338589617 525457379 /nfs/dbraw/zinc/45/73/79/525457379.db2.gz UAEJZJJNAVNQGZ-ZDUSSCGKSA-N 1 2 284.287 1.510 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338589617 525457387 /nfs/dbraw/zinc/45/73/87/525457387.db2.gz UAEJZJJNAVNQGZ-ZDUSSCGKSA-N 1 2 284.287 1.510 20 5 CDBDLO Cc1[nH]nc(C(=O)Nc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000337323558 525465951 /nfs/dbraw/zinc/46/59/51/525465951.db2.gz LRPXODPJCQLSEY-UHFFFAOYSA-N 1 2 261.241 1.004 20 5 CDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000054455512 526079646 /nfs/dbraw/zinc/07/96/46/526079646.db2.gz GMIKDKBEJOZHEH-UHFFFAOYSA-N 1 2 295.364 1.704 20 5 CDBDLO Cc1[nH]c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000336951215 527233502 /nfs/dbraw/zinc/23/35/02/527233502.db2.gz QMBZQCRIUMWCQF-UHFFFAOYSA-N 1 2 289.295 1.468 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000774517228 575210748 /nfs/dbraw/zinc/21/07/48/575210748.db2.gz ZUKDFJQGXBIINI-SNVBAGLBSA-N 1 2 286.295 1.940 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000757922422 577060874 /nfs/dbraw/zinc/06/08/74/577060874.db2.gz YUFSWNIKSIXNLA-UHFFFAOYSA-N 1 2 274.240 1.491 20 5 CDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C[NH3+])C1 ZINC001579423344 1172175091 /nfs/dbraw/zinc/17/50/91/1172175091.db2.gz HBJVAIWQSFFLJK-KOLCDFICSA-N 1 2 293.323 1.500 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000859307530 737887701 /nfs/dbraw/zinc/88/77/01/737887701.db2.gz ASEDIGMTLFMBFJ-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000859307530 737887704 /nfs/dbraw/zinc/88/77/04/737887704.db2.gz ASEDIGMTLFMBFJ-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO C[C@H](C(=O)OCCC[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000860917555 736798389 /nfs/dbraw/zinc/79/83/89/736798389.db2.gz NCRXYAWOGCHURT-GFCCVEGCSA-N 1 2 292.335 1.643 20 5 CDBDLO C[C@H](C(=O)OCCC[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000860917555 736798391 /nfs/dbraw/zinc/79/83/91/736798391.db2.gz NCRXYAWOGCHURT-GFCCVEGCSA-N 1 2 292.335 1.643 20 5 CDBDLO COC(=O)C1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818174790 930681874 /nfs/dbraw/zinc/68/18/74/930681874.db2.gz OCAXMOODCTWRKR-GFCCVEGCSA-N 1 2 294.307 1.123 20 5 CDBDLO CC(C)OC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001116822702 937474359 /nfs/dbraw/zinc/47/43/59/937474359.db2.gz WWSDBRNNDFKFRY-UHFFFAOYSA-N 1 2 296.327 1.380 20 5 CDBDLO CC(C)n1c[nH+]cc1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001161564679 938913609 /nfs/dbraw/zinc/91/36/09/938913609.db2.gz ATBYTJHVCSJGBJ-UHFFFAOYSA-N 1 2 276.300 1.962 20 5 CDBDLO COc1cnc(N2CC[NH2+]CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001164493494 939479052 /nfs/dbraw/zinc/47/90/52/939479052.db2.gz ZDMCJWXXRPCSEW-UHFFFAOYSA-N 1 2 288.254 1.043 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC001222791821 941634611 /nfs/dbraw/zinc/63/46/11/941634611.db2.gz WRWQEKRUMMRCQJ-OLZOCXBDSA-N 1 2 294.307 1.357 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC001222791821 941634613 /nfs/dbraw/zinc/63/46/13/941634613.db2.gz WRWQEKRUMMRCQJ-OLZOCXBDSA-N 1 2 294.307 1.357 20 5 CDBDLO C[N@H+](CCCF)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC001333848062 958650470 /nfs/dbraw/zinc/65/04/70/958650470.db2.gz VDKOXKVGILEHAU-UHFFFAOYSA-N 1 2 295.112 1.803 20 5 CDBDLO C[N@@H+](CCCF)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC001333848062 958650478 /nfs/dbraw/zinc/65/04/78/958650478.db2.gz VDKOXKVGILEHAU-UHFFFAOYSA-N 1 2 295.112 1.803 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1OCCO1)C2 ZINC001320567602 959247741 /nfs/dbraw/zinc/24/77/41/959247741.db2.gz VRYWUIGJYOMIBQ-UHFFFAOYSA-N 1 2 264.281 1.673 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1OCCO1)C2 ZINC001320567602 959247755 /nfs/dbraw/zinc/24/77/55/959247755.db2.gz VRYWUIGJYOMIBQ-UHFFFAOYSA-N 1 2 264.281 1.673 20 5 CDBDLO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1[nH+]ccn1C ZINC000596543232 343346664 /nfs/dbraw/zinc/34/66/64/343346664.db2.gz OPASTXLYQHVICY-SSDOTTSWSA-N 1 2 250.262 1.235 20 5 CDBDLO CN1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000265397962 362244731 /nfs/dbraw/zinc/24/47/31/362244731.db2.gz XAUXDQZVVPKKFU-GFCCVEGCSA-N 1 2 263.297 1.257 20 5 CDBDLO CN1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000265397962 362244734 /nfs/dbraw/zinc/24/47/34/362244734.db2.gz XAUXDQZVVPKKFU-GFCCVEGCSA-N 1 2 263.297 1.257 20 5 CDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000437002567 362250105 /nfs/dbraw/zinc/25/01/05/362250105.db2.gz SXHWOLABEFQKEQ-NXEZZACHSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000437002567 362250108 /nfs/dbraw/zinc/25/01/08/362250108.db2.gz SXHWOLABEFQKEQ-NXEZZACHSA-N 1 2 293.323 1.513 20 5 CDBDLO CCc1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000291428853 344829187 /nfs/dbraw/zinc/82/91/87/344829187.db2.gz LGNBADZPGUUSAQ-UHFFFAOYSA-N 1 2 288.307 1.821 20 5 CDBDLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000609536892 345595069 /nfs/dbraw/zinc/59/50/69/345595069.db2.gz MJJHXSNVQPZVOV-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249295782 362756712 /nfs/dbraw/zinc/75/67/12/362756712.db2.gz MZIURGOPNFENJG-NEPJUHHUSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249295782 362756716 /nfs/dbraw/zinc/75/67/16/362756716.db2.gz MZIURGOPNFENJG-NEPJUHHUSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000611177262 346632094 /nfs/dbraw/zinc/63/20/94/346632094.db2.gz BVSIBXHKZGSZFC-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000611177262 346632097 /nfs/dbraw/zinc/63/20/97/346632097.db2.gz BVSIBXHKZGSZFC-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO COC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255541332 350796213 /nfs/dbraw/zinc/79/62/13/350796213.db2.gz MIDMSNJAFKTBSZ-KXQLTZBTSA-N 1 2 292.335 1.955 20 5 CDBDLO COC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255541332 350796216 /nfs/dbraw/zinc/79/62/16/350796216.db2.gz MIDMSNJAFKTBSZ-KXQLTZBTSA-N 1 2 292.335 1.955 20 5 CDBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C[NH3+])C1 ZINC000261890848 357338290 /nfs/dbraw/zinc/33/82/90/357338290.db2.gz VEIAGVUUCTXTBJ-ONGXEEELSA-N 1 2 293.323 1.500 20 5 CDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCS(C)(=O)=O ZINC000282574253 357436000 /nfs/dbraw/zinc/43/60/00/357436000.db2.gz ZZPBXDIPIVZIFI-UHFFFAOYSA-N 1 2 286.353 1.114 20 5 CDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCS(C)(=O)=O ZINC000282574253 357436009 /nfs/dbraw/zinc/43/60/09/357436009.db2.gz ZZPBXDIPIVZIFI-UHFFFAOYSA-N 1 2 286.353 1.114 20 5 CDBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000361376866 358171431 /nfs/dbraw/zinc/17/14/31/358171431.db2.gz IRPZCCHGWJSBKP-SNVBAGLBSA-N 1 2 275.312 1.707 20 5 CDBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000361376866 358171432 /nfs/dbraw/zinc/17/14/32/358171432.db2.gz IRPZCCHGWJSBKP-SNVBAGLBSA-N 1 2 275.312 1.707 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193480292 358297433 /nfs/dbraw/zinc/29/74/33/358297433.db2.gz HZVWVKGJGDKPPB-UHFFFAOYSA-N 1 2 275.312 1.900 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC000297046122 200070927 /nfs/dbraw/zinc/07/09/27/200070927.db2.gz JUXSEOSVXIEKDT-UHFFFAOYSA-N 1 2 295.343 1.264 20 5 CDBDLO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175454805 364411357 /nfs/dbraw/zinc/41/13/57/364411357.db2.gz SKFNPHJRWBNRNG-UHFFFAOYSA-N 1 2 295.339 1.762 20 5 CDBDLO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175454805 364411361 /nfs/dbraw/zinc/41/13/61/364411361.db2.gz SKFNPHJRWBNRNG-UHFFFAOYSA-N 1 2 295.339 1.762 20 5 CDBDLO Cc1c(C[N@@H+]2CCO[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000094267502 364727703 /nfs/dbraw/zinc/72/77/03/364727703.db2.gz CHLOWFYQDDAZPC-LBPRGKRZSA-N 1 2 266.297 1.096 20 5 CDBDLO Cc1c(C[N@H+]2CCO[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000094267502 364727708 /nfs/dbraw/zinc/72/77/08/364727708.db2.gz CHLOWFYQDDAZPC-LBPRGKRZSA-N 1 2 266.297 1.096 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2c(C)ccc([N+](=O)[O-])c2=O)c1 ZINC000276259092 193259870 /nfs/dbraw/zinc/25/98/70/193259870.db2.gz SBVJMRASURMMCO-UHFFFAOYSA-N 1 2 289.291 1.825 20 5 CDBDLO Cc1nc(NC[C@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000295505335 370437496 /nfs/dbraw/zinc/43/74/96/370437496.db2.gz KZRUFOVCFJUNAN-VIFPVBQESA-N 1 2 276.300 1.638 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000080624210 374474501 /nfs/dbraw/zinc/47/45/01/374474501.db2.gz BSPFMTGGAXBFPD-UHFFFAOYSA-N 1 2 296.308 1.105 20 5 CDBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1COC1 ZINC000449423145 374807487 /nfs/dbraw/zinc/80/74/87/374807487.db2.gz GPFMCMLXMSBHGB-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1COC1 ZINC000449423145 374807490 /nfs/dbraw/zinc/80/74/90/374807490.db2.gz GPFMCMLXMSBHGB-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277495681 374790257 /nfs/dbraw/zinc/79/02/57/374790257.db2.gz NRKUEBCIUBLUAR-NSPYISDASA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277495681 374790263 /nfs/dbraw/zinc/79/02/63/374790263.db2.gz NRKUEBCIUBLUAR-NSPYISDASA-N 1 2 282.365 1.795 20 5 CDBDLO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331241996 374913302 /nfs/dbraw/zinc/91/33/02/374913302.db2.gz NULDXIPSHVDCCT-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331241996 374913308 /nfs/dbraw/zinc/91/33/08/374913308.db2.gz NULDXIPSHVDCCT-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO CCN(C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332703370 375044479 /nfs/dbraw/zinc/04/44/79/375044479.db2.gz WDVAHOHFQRMHGR-UHFFFAOYSA-N 1 2 277.324 1.431 20 5 CDBDLO CCN(C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332703370 375044487 /nfs/dbraw/zinc/04/44/87/375044487.db2.gz WDVAHOHFQRMHGR-UHFFFAOYSA-N 1 2 277.324 1.431 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(OCc2c[nH+]cn2C)n1 ZINC000354533429 375721948 /nfs/dbraw/zinc/72/19/48/375721948.db2.gz CZXFTMMCXJNRJH-UHFFFAOYSA-N 1 2 262.269 1.919 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000355258728 375786547 /nfs/dbraw/zinc/78/65/47/375786547.db2.gz WDVHHZXWGHMJMK-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000058434925 375757455 /nfs/dbraw/zinc/75/74/55/375757455.db2.gz QKZLNIXEDGXHOQ-JTQLQIEISA-N 1 2 269.276 1.476 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000058434925 375757459 /nfs/dbraw/zinc/75/74/59/375757459.db2.gz QKZLNIXEDGXHOQ-JTQLQIEISA-N 1 2 269.276 1.476 20 5 CDBDLO Cc1c(C(=O)NCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000355244573 375785582 /nfs/dbraw/zinc/78/55/82/375785582.db2.gz AEECCLLTLCQDFL-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000355074196 375772016 /nfs/dbraw/zinc/77/20/16/375772016.db2.gz BQSZFSHXQIFWHG-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000355074196 375772023 /nfs/dbraw/zinc/77/20/23/375772023.db2.gz BQSZFSHXQIFWHG-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)cc1[N+](=O)[O-] ZINC000347650354 376659735 /nfs/dbraw/zinc/65/97/35/376659735.db2.gz KBDNLUGXTKFBPH-VIFPVBQESA-N 1 2 291.311 1.176 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172018053 377234912 /nfs/dbraw/zinc/23/49/12/377234912.db2.gz UOQCIEZHAUVNIU-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172018053 377234919 /nfs/dbraw/zinc/23/49/19/377234919.db2.gz UOQCIEZHAUVNIU-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267017752 379201988 /nfs/dbraw/zinc/20/19/88/379201988.db2.gz JJNPIFQTZMJCKC-CYBMUJFWSA-N 1 2 295.314 1.834 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267017752 379202004 /nfs/dbraw/zinc/20/20/04/379202004.db2.gz JJNPIFQTZMJCKC-CYBMUJFWSA-N 1 2 295.314 1.834 20 5 CDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000491827757 253100009 /nfs/dbraw/zinc/10/00/09/253100009.db2.gz JOTWOHJROVNUNN-WAYWQWQTSA-N 1 2 298.302 1.888 20 5 CDBDLO Cc1cc(C)c(CNc2ncc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000450903980 390574603 /nfs/dbraw/zinc/57/46/03/390574603.db2.gz DFTYYVVMYJTYRI-UHFFFAOYSA-N 1 2 273.296 1.739 20 5 CDBDLO O=C1OCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494035469 390862412 /nfs/dbraw/zinc/86/24/12/390862412.db2.gz YSVUQDWVLMSKPU-CYBMUJFWSA-N 1 2 291.307 1.621 20 5 CDBDLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494035469 390862415 /nfs/dbraw/zinc/86/24/15/390862415.db2.gz YSVUQDWVLMSKPU-CYBMUJFWSA-N 1 2 291.307 1.621 20 5 CDBDLO Cc1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000269473487 132175995 /nfs/dbraw/zinc/17/59/95/132175995.db2.gz JRDNBNZPHOAWBU-LBPRGKRZSA-N 1 2 276.340 1.315 20 5 CDBDLO O=C1OCC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000494087874 393226434 /nfs/dbraw/zinc/22/64/34/393226434.db2.gz WRXGOIFANJEXRM-GFCCVEGCSA-N 1 2 291.307 1.621 20 5 CDBDLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000494087874 393226439 /nfs/dbraw/zinc/22/64/39/393226439.db2.gz WRXGOIFANJEXRM-GFCCVEGCSA-N 1 2 291.307 1.621 20 5 CDBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])s1)CCC2 ZINC000367144153 159443087 /nfs/dbraw/zinc/44/30/87/159443087.db2.gz CAPXKELETIIPCO-VIFPVBQESA-N 1 2 293.352 1.968 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000020185668 171049157 /nfs/dbraw/zinc/04/91/57/171049157.db2.gz QAQCLIZPQVSGHG-UHFFFAOYSA-N 1 2 283.291 1.927 20 5 CDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175874994 278310716 /nfs/dbraw/zinc/31/07/16/278310716.db2.gz FNLYVPOVHIMRHS-ZWNOBZJWSA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175874994 278310717 /nfs/dbraw/zinc/31/07/17/278310717.db2.gz FNLYVPOVHIMRHS-ZWNOBZJWSA-N 1 2 290.323 1.365 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000542482911 289545517 /nfs/dbraw/zinc/54/55/17/289545517.db2.gz ZFCXLKIKCZMHKS-UHFFFAOYSA-N 1 2 274.280 1.301 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338632467 521281022 /nfs/dbraw/zinc/28/10/22/521281022.db2.gz TYQPNAHICGLXLS-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338632467 521281028 /nfs/dbraw/zinc/28/10/28/521281028.db2.gz TYQPNAHICGLXLS-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO CC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC[NH2+]1 ZINC000233973787 523698238 /nfs/dbraw/zinc/69/82/38/523698238.db2.gz OFBMJUOKOQKBNA-ZDUSSCGKSA-N 1 2 279.296 1.771 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)C2)ccc1Cl ZINC000061710207 527328615 /nfs/dbraw/zinc/32/86/15/527328615.db2.gz CKOWXVMUJLHEFY-VIFPVBQESA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)C2)ccc1Cl ZINC000061710207 527328622 /nfs/dbraw/zinc/32/86/22/527328622.db2.gz CKOWXVMUJLHEFY-VIFPVBQESA-N 1 2 256.689 1.815 20 5 CDBDLO Cn1cc[nH+]c1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278376566 527438263 /nfs/dbraw/zinc/43/82/63/527438263.db2.gz LGOHWKDQSSBNFC-UHFFFAOYSA-N 1 2 273.296 1.908 20 5 CDBDLO Cn1cc[nH+]c1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000728568944 574637793 /nfs/dbraw/zinc/63/77/93/574637793.db2.gz BFPSHKRFTUDIFY-UHFFFAOYSA-N 1 2 272.268 1.588 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000771997994 575647358 /nfs/dbraw/zinc/64/73/58/575647358.db2.gz YGFJQJWVGATUOM-UHFFFAOYSA-N 1 2 297.217 1.927 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]3CO)co2)cc1 ZINC000934018733 617858130 /nfs/dbraw/zinc/85/81/30/617858130.db2.gz XTBGUGZCADQMFJ-ZDUSSCGKSA-N 1 2 289.291 1.816 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]3CO)co2)cc1 ZINC000934018733 617858132 /nfs/dbraw/zinc/85/81/32/617858132.db2.gz XTBGUGZCADQMFJ-ZDUSSCGKSA-N 1 2 289.291 1.816 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1c([N+](=O)[O-])cnn1C)C2 ZINC000896650973 620182300 /nfs/dbraw/zinc/18/23/00/620182300.db2.gz OHWIPFPXHNZFCX-UHFFFAOYSA-N 1 2 276.300 1.107 20 5 CDBDLO CCc1cccc(NC(=O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905084384 626602220 /nfs/dbraw/zinc/60/22/20/626602220.db2.gz ZIKZTHCCVSAHQQ-UHFFFAOYSA-N 1 2 251.286 1.054 20 5 CDBDLO COC[C@@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840108778 739232872 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O=[N+]([O-])CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000929683307 739934097 /nfs/dbraw/zinc/93/40/97/739934097.db2.gz OHZVPINMHMWCHV-QMMMGPOBSA-N 1 2 256.224 1.306 20 5 CDBDLO O=[N+]([O-])c1c(F)nccc1N1CCn2c[nH+]cc2C1 ZINC000882382550 740026126 /nfs/dbraw/zinc/02/61/26/740026126.db2.gz FNOZQFQBBXRMBQ-UHFFFAOYSA-N 1 2 263.232 1.346 20 5 CDBDLO O=C(Cc1[nH]cc[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000816955998 740646084 /nfs/dbraw/zinc/64/60/84/740646084.db2.gz SXFLTRKSWXJIQV-UHFFFAOYSA-N 1 2 274.280 1.219 20 5 CDBDLO Cc1noc(C[NH+]2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC000851727607 741648336 /nfs/dbraw/zinc/64/83/36/741648336.db2.gz SKXGCOARMDHTEW-UHFFFAOYSA-N 1 2 283.284 1.230 20 5 CDBDLO CCOC1CC2(C1)CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C2 ZINC000795721874 742047621 /nfs/dbraw/zinc/04/76/21/742047621.db2.gz XSQDGEPMLPGILH-UHFFFAOYSA-N 1 2 294.355 1.948 20 5 CDBDLO CCOC1CC2(C1)CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C2 ZINC000795721874 742047630 /nfs/dbraw/zinc/04/76/30/742047630.db2.gz 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C[N@@H+]1CCO[C@H](COc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018194 906877906 /nfs/dbraw/zinc/87/79/06/906877906.db2.gz WVTANEQBCVCOKJ-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018194 906877928 /nfs/dbraw/zinc/87/79/28/906877928.db2.gz WVTANEQBCVCOKJ-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO COc1c(F)cc(NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001169658436 928298050 /nfs/dbraw/zinc/29/80/50/928298050.db2.gz WLDGUFFGFYJWGW-JTQLQIEISA-N 1 2 299.302 1.485 20 5 CDBDLO COc1c(F)cc(NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001169658436 928298065 /nfs/dbraw/zinc/29/80/65/928298065.db2.gz WLDGUFFGFYJWGW-JTQLQIEISA-N 1 2 299.302 1.485 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](OCC[NH+]1CCOCC1)C2 ZINC001210192582 940670191 /nfs/dbraw/zinc/67/01/91/940670191.db2.gz SHRCDPXJOWERHO-OAHLLOKOSA-N 1 2 292.335 1.411 20 5 CDBDLO O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc[nH+]cc1)C2 ZINC001225295327 941840022 /nfs/dbraw/zinc/84/00/22/941840022.db2.gz 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CC[C@@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001332262838 957497407 /nfs/dbraw/zinc/49/74/07/957497407.db2.gz XBXQGONUVRXKJV-LLVKDONJSA-N 1 2 295.343 1.216 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001332262838 957497413 /nfs/dbraw/zinc/49/74/13/957497413.db2.gz XBXQGONUVRXKJV-LLVKDONJSA-N 1 2 295.343 1.216 20 5 CDBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001333346725 958268323 /nfs/dbraw/zinc/26/83/23/958268323.db2.gz NKPRBGGDUJOWMX-LBPRGKRZSA-N 1 2 293.323 1.907 20 5 CDBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001333346725 958268333 /nfs/dbraw/zinc/26/83/33/958268333.db2.gz NKPRBGGDUJOWMX-LBPRGKRZSA-N 1 2 293.323 1.907 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594438062 342905900 /nfs/dbraw/zinc/90/59/00/342905900.db2.gz ZETAFYCLLIAWNU-HZMBPMFUSA-N 1 2 291.307 1.629 20 5 CDBDLO CCNC(=O)[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595499537 343078293 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CO[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896261 344652651 /nfs/dbraw/zinc/65/26/51/344652651.db2.gz JIGLXNXTNWNAEC-CYBMUJFWSA-N 1 2 282.296 1.278 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000028799479 345256350 /nfs/dbraw/zinc/25/63/50/345256350.db2.gz MQKQGSIRCNPLDC-DGCLKSJQSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000028799479 345256357 /nfs/dbraw/zinc/25/63/57/345256357.db2.gz MQKQGSIRCNPLDC-DGCLKSJQSA-N 1 2 296.323 1.055 20 5 CDBDLO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000222366470 345221335 /nfs/dbraw/zinc/22/13/35/345221335.db2.gz HXRSESRDZYNAMO-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO O=[N+]([O-])c1ccsc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000611413678 346780776 /nfs/dbraw/zinc/78/07/76/346780776.db2.gz LQYSXACVLFDWRL-VIFPVBQESA-N 1 2 268.342 1.068 20 5 CDBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611272437 346732346 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Cn1ccnc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153428588 188082079 /nfs/dbraw/zinc/08/20/79/188082079.db2.gz WAGGFFVWXKHWHC-CYBMUJFWSA-N 1 2 290.323 1.494 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153997524 188116567 /nfs/dbraw/zinc/11/65/67/188116567.db2.gz QWFLSTLAQKSHDC-STQMWFEESA-N 1 2 294.307 1.266 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153997524 188116568 /nfs/dbraw/zinc/11/65/68/188116568.db2.gz QWFLSTLAQKSHDC-STQMWFEESA-N 1 2 294.307 1.266 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000292706198 198382904 /nfs/dbraw/zinc/38/29/04/198382904.db2.gz DZBBQUWCZADIHQ-UHFFFAOYSA-N 1 2 275.312 1.696 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000292706198 198382906 /nfs/dbraw/zinc/38/29/06/198382906.db2.gz DZBBQUWCZADIHQ-UHFFFAOYSA-N 1 2 275.312 1.696 20 5 CDBDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000411964511 363391190 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/nfs/dbraw/zinc/01/50/41/746015041.db2.gz HYCLFLIQOYSLOT-JTQLQIEISA-N 1 2 295.368 1.390 20 5 CDBDLO Cn1c[nH+]c(CCNc2ccnc(F)c2[N+](=O)[O-])c1 ZINC000882439624 747093251 /nfs/dbraw/zinc/09/32/51/747093251.db2.gz OEFAKPAXZZVWIX-UHFFFAOYSA-N 1 2 265.248 1.517 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(N)c([N+](=O)[O-])c1 ZINC000811589132 747098473 /nfs/dbraw/zinc/09/84/73/747098473.db2.gz MFVGZCOEGXVGLN-UHFFFAOYSA-N 1 2 289.295 1.149 20 5 CDBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000882113582 748096377 /nfs/dbraw/zinc/09/63/77/748096377.db2.gz LOBWNPQKJOZIKV-SNVBAGLBSA-N 1 2 296.302 1.040 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CO)(CO)CC1 ZINC000879968309 748400370 /nfs/dbraw/zinc/40/03/70/748400370.db2.gz LJTFSEDTACIHBO-UHFFFAOYSA-N 1 2 298.314 1.301 20 5 CDBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000840128035 748654363 /nfs/dbraw/zinc/65/43/63/748654363.db2.gz UMEFNTALUYPYNU-ONGXEEELSA-N 1 2 254.290 1.106 20 5 CDBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000840128035 748654348 /nfs/dbraw/zinc/65/43/48/748654348.db2.gz UMEFNTALUYPYNU-ONGXEEELSA-N 1 2 254.290 1.106 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)[C@H]1C ZINC001173227112 912323393 /nfs/dbraw/zinc/32/33/93/912323393.db2.gz ODDQLTYXPGDAQE-WDEREUQCSA-N 1 2 277.324 1.346 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)[C@H]1C ZINC001173227112 912323405 /nfs/dbraw/zinc/32/34/05/912323405.db2.gz ODDQLTYXPGDAQE-WDEREUQCSA-N 1 2 277.324 1.346 20 5 CDBDLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173232312 912328594 /nfs/dbraw/zinc/32/85/94/912328594.db2.gz ARDXZULAPKZDSO-ABAIWWIYSA-N 1 2 292.335 1.816 20 5 CDBDLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173232312 912328614 /nfs/dbraw/zinc/32/86/14/912328614.db2.gz ARDXZULAPKZDSO-ABAIWWIYSA-N 1 2 292.335 1.816 20 5 CDBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1cnc([N+](=O)[O-])cn1 ZINC001167993557 905152987 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CDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1sccc1[N+](=O)[O-] ZINC000588070185 342492085 /nfs/dbraw/zinc/49/20/85/342492085.db2.gz LPIVXNITVIMVOB-MNOVXSKESA-N 1 2 297.380 1.956 20 5 CDBDLO O=C(C[N@H+]1CC=CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611517428 346807826 /nfs/dbraw/zinc/80/78/26/346807826.db2.gz AVNSEOWAMAHNNQ-UHFFFAOYSA-N 1 2 287.319 1.746 20 5 CDBDLO O=C(C[N@@H+]1CC=CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611517428 346807828 /nfs/dbraw/zinc/80/78/28/346807828.db2.gz AVNSEOWAMAHNNQ-UHFFFAOYSA-N 1 2 287.319 1.746 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000590174889 342524065 /nfs/dbraw/zinc/52/40/65/342524065.db2.gz CJJGBIWAOGJNDI-PHIMTYICSA-N 1 2 276.292 1.996 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000590174889 342524066 /nfs/dbraw/zinc/52/40/66/342524066.db2.gz CJJGBIWAOGJNDI-PHIMTYICSA-N 1 2 276.292 1.996 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000595321740 343035405 /nfs/dbraw/zinc/03/54/05/343035405.db2.gz YISLQJMIBSVYFF-JTQLQIEISA-N 1 2 294.311 1.134 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000595321740 343035406 /nfs/dbraw/zinc/03/54/06/343035406.db2.gz YISLQJMIBSVYFF-JTQLQIEISA-N 1 2 294.311 1.134 20 5 CDBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531119 349792788 /nfs/dbraw/zinc/79/27/88/349792788.db2.gz JBSRLQKUHKSRRA-UHFFFAOYSA-N 1 2 295.339 1.514 20 5 CDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531119 349792791 /nfs/dbraw/zinc/79/27/91/349792791.db2.gz JBSRLQKUHKSRRA-UHFFFAOYSA-N 1 2 295.339 1.514 20 5 CDBDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595439986 343061922 /nfs/dbraw/zinc/06/19/22/343061922.db2.gz YRBVTEZLQNCGIE-LBPRGKRZSA-N 1 2 294.286 1.291 20 5 CDBDLO Cc1noc(C[N@@H+](C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595485112 343066086 /nfs/dbraw/zinc/06/60/86/343066086.db2.gz RSNTYRZHGWFXAN-VIFPVBQESA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@H+](C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595485112 343066088 /nfs/dbraw/zinc/06/60/88/343066088.db2.gz RSNTYRZHGWFXAN-VIFPVBQESA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000595467917 343071694 /nfs/dbraw/zinc/07/16/94/343071694.db2.gz QSTAEOGYVIRYIS-JTQLQIEISA-N 1 2 298.343 1.044 20 5 CDBDLO Cc1noc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595467917 343071697 /nfs/dbraw/zinc/07/16/97/343071697.db2.gz QSTAEOGYVIRYIS-JTQLQIEISA-N 1 2 298.343 1.044 20 5 CDBDLO Cc1noc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595467917 343071698 /nfs/dbraw/zinc/07/16/98/343071698.db2.gz QSTAEOGYVIRYIS-JTQLQIEISA-N 1 2 298.343 1.044 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CCc2[nH+]c[nH]c2C1 ZINC000596235867 343282243 /nfs/dbraw/zinc/28/22/43/343282243.db2.gz AXFWMFPKSXDGGZ-UHFFFAOYSA-N 1 2 250.283 1.942 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2cccnc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430367 343319034 /nfs/dbraw/zinc/31/90/34/343319034.db2.gz MDBUOYUZMPYIHI-QWRGUYRKSA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2cccnc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430367 343319036 /nfs/dbraw/zinc/31/90/36/343319036.db2.gz MDBUOYUZMPYIHI-QWRGUYRKSA-N 1 2 280.328 1.511 20 5 CDBDLO COC(=O)c1ccnc(NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598595376 343840473 /nfs/dbraw/zinc/84/04/73/343840473.db2.gz QWZVGEWHACZIGL-UHFFFAOYSA-N 1 2 291.267 1.122 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598738105 343891926 /nfs/dbraw/zinc/89/19/26/343891926.db2.gz FVWWFFDPSZAOCI-SSDOTTSWSA-N 1 2 278.272 1.025 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598947802 343932684 /nfs/dbraw/zinc/93/26/84/343932684.db2.gz NEZBYJLPVUNWNV-JTQLQIEISA-N 1 2 299.334 1.917 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cnc(N)nc2C1 ZINC000598947802 343932686 /nfs/dbraw/zinc/93/26/86/343932686.db2.gz NEZBYJLPVUNWNV-JTQLQIEISA-N 1 2 299.334 1.917 20 5 CDBDLO C[N@@H+]1CCOC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599161352 343971786 /nfs/dbraw/zinc/97/17/86/343971786.db2.gz PMJAONLXSQECGW-SECBINFHSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCOC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599161352 343971788 /nfs/dbraw/zinc/97/17/88/343971788.db2.gz PMJAONLXSQECGW-SECBINFHSA-N 1 2 286.719 1.386 20 5 CDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000610909420 346486124 /nfs/dbraw/zinc/48/61/24/346486124.db2.gz KJNQYBBFQQULDF-RKDXNWHRSA-N 1 2 271.342 1.787 20 5 CDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCO1 ZINC000610909420 346486126 /nfs/dbraw/zinc/48/61/26/346486126.db2.gz KJNQYBBFQQULDF-RKDXNWHRSA-N 1 2 271.342 1.787 20 5 CDBDLO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262165277 290832705 /nfs/dbraw/zinc/83/27/05/290832705.db2.gz JNWYMADRIWALSH-JTQLQIEISA-N 1 2 279.296 1.124 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046058524 348783990 /nfs/dbraw/zinc/78/39/90/348783990.db2.gz HJESUNIGRZDYCP-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046058524 348783991 /nfs/dbraw/zinc/78/39/91/348783991.db2.gz HJESUNIGRZDYCP-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO CCc1nn(C)c(NCc2c[nH+]ccc2OC)c1[N+](=O)[O-] ZINC000292720217 198387584 /nfs/dbraw/zinc/38/75/84/198387584.db2.gz LNXAIUYGDZFMGS-UHFFFAOYSA-N 1 2 291.311 1.906 20 5 CDBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000037016419 363313539 /nfs/dbraw/zinc/31/35/39/363313539.db2.gz LNCCMJGPYCUNLO-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000037016420 363313774 /nfs/dbraw/zinc/31/37/74/363313774.db2.gz LNCCMJGPYCUNLO-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)cc([N+](=O)[O-])c1 ZINC000134856112 356428431 /nfs/dbraw/zinc/42/84/31/356428431.db2.gz OZCITEZWAYDHRN-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)cc([N+](=O)[O-])c1 ZINC000134856112 356428434 /nfs/dbraw/zinc/42/84/34/356428434.db2.gz OZCITEZWAYDHRN-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO CNc1c(C(=O)NCc2[nH]c[nH+]c2C)cccc1[N+](=O)[O-] ZINC000360936041 357753934 /nfs/dbraw/zinc/75/39/34/357753934.db2.gz DENPZCSGKUGSLC-UHFFFAOYSA-N 1 2 289.295 1.598 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286717598 357964636 /nfs/dbraw/zinc/96/46/36/357964636.db2.gz CFPISNIPXBIZCV-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286717598 357964641 /nfs/dbraw/zinc/96/46/41/357964641.db2.gz CFPISNIPXBIZCV-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000361371090 358171573 /nfs/dbraw/zinc/17/15/73/358171573.db2.gz DZQBIHXGMTZDFT-GHMZBOCLSA-N 1 2 293.323 1.643 20 5 CDBDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000361371090 358171576 /nfs/dbraw/zinc/17/15/76/358171576.db2.gz DZQBIHXGMTZDFT-GHMZBOCLSA-N 1 2 293.323 1.643 20 5 CDBDLO COC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C 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CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250389 237275035 /nfs/dbraw/zinc/27/50/35/237275035.db2.gz AFANQGQTGLRQQF-SNVBAGLBSA-N 1 2 286.291 1.992 20 5 CDBDLO COCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000347937613 359957044 /nfs/dbraw/zinc/95/70/44/359957044.db2.gz UUDMAIFSXXAWNB-JTQLQIEISA-N 1 2 294.311 1.789 20 5 CDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])s1)CCC2 ZINC000367144152 361073027 /nfs/dbraw/zinc/07/30/27/361073027.db2.gz CAPXKELETIIPCO-SECBINFHSA-N 1 2 293.352 1.968 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000286169441 239140832 /nfs/dbraw/zinc/14/08/32/239140832.db2.gz YQJIBZIFMGWBAR-MRVPVSSYSA-N 1 2 272.251 1.830 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000286169441 239140840 /nfs/dbraw/zinc/14/08/40/239140840.db2.gz YQJIBZIFMGWBAR-MRVPVSSYSA-N 1 2 272.251 1.830 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000088147647 364259381 /nfs/dbraw/zinc/25/93/81/364259381.db2.gz PBLKKHWBMOCCCA-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000275383985 193016763 /nfs/dbraw/zinc/01/67/63/193016763.db2.gz ADKQHZGJOWIDPE-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275627696 193090479 /nfs/dbraw/zinc/09/04/79/193090479.db2.gz UZLNFWLUGKESDA-JTQLQIEISA-N 1 2 291.311 1.453 20 5 CDBDLO Cc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000275753449 193120322 /nfs/dbraw/zinc/12/03/22/193120322.db2.gz DQHFSWWHYXMFDM-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO CNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270807239 366933814 /nfs/dbraw/zinc/93/38/14/366933814.db2.gz VXGKYYFYDLAOMR-VIFPVBQESA-N 1 2 251.286 1.334 20 5 CDBDLO CNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270807239 366933818 /nfs/dbraw/zinc/93/38/18/366933818.db2.gz VXGKYYFYDLAOMR-VIFPVBQESA-N 1 2 251.286 1.334 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346457525 370445882 /nfs/dbraw/zinc/44/58/82/370445882.db2.gz OTQXLZOYJRIFOC-VXGBXAGGSA-N 1 2 289.335 1.962 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346457525 370445886 /nfs/dbraw/zinc/44/58/86/370445886.db2.gz OTQXLZOYJRIFOC-VXGBXAGGSA-N 1 2 289.335 1.962 20 5 CDBDLO CCn1cc[nH+]c1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000295724742 370598242 /nfs/dbraw/zinc/59/82/42/370598242.db2.gz KYIXYKXNIREFPG-UHFFFAOYSA-N 1 2 288.307 1.670 20 5 CDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCn2c[nH+]cc2C1 ZINC000368104324 371567231 /nfs/dbraw/zinc/56/72/31/371567231.db2.gz DYOMPIAGHHQDAY-UHFFFAOYSA-N 1 2 287.279 1.839 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657685 373369884 /nfs/dbraw/zinc/36/98/84/373369884.db2.gz IUIVKPJGXWBSIO-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657685 373369891 /nfs/dbraw/zinc/36/98/91/373369891.db2.gz IUIVKPJGXWBSIO-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371228446 374412835 /nfs/dbraw/zinc/41/28/35/374412835.db2.gz XYCZMODKNSDIPM-QMMMGPOBSA-N 1 2 290.283 1.061 20 5 CDBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331071581 374886379 /nfs/dbraw/zinc/88/63/79/374886379.db2.gz UAGFTAYAYWOYNG-JTQLQIEISA-N 1 2 296.327 1.103 20 5 CDBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331071581 374886386 /nfs/dbraw/zinc/88/63/86/374886386.db2.gz UAGFTAYAYWOYNG-JTQLQIEISA-N 1 2 296.327 1.103 20 5 CDBDLO Cc1ccc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332291139 375023873 /nfs/dbraw/zinc/02/38/73/375023873.db2.gz YAWIKMNGZQYAJO-GJZGRUSLSA-N 1 2 291.351 1.418 20 5 CDBDLO Cc1ccc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332291139 375023879 /nfs/dbraw/zinc/02/38/79/375023879.db2.gz YAWIKMNGZQYAJO-GJZGRUSLSA-N 1 2 291.351 1.418 20 5 CDBDLO O=[N+]([O-])c1ccccc1CN1CCn2cc[nH+]c2C1 ZINC000332590287 375037542 /nfs/dbraw/zinc/03/75/42/375037542.db2.gz MYLUHOLEJQDGKV-UHFFFAOYSA-N 1 2 258.281 1.807 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CO)c1ccsc1 ZINC000352032560 375348810 /nfs/dbraw/zinc/34/88/10/375348810.db2.gz MJYHPKGENUUAML-VIFPVBQESA-N 1 2 282.325 1.213 20 5 CDBDLO CCOC1CC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000347404830 376092345 /nfs/dbraw/zinc/09/23/45/376092345.db2.gz BENMOBYSQPDDRX-UHFFFAOYSA-N 1 2 268.317 1.328 20 5 CDBDLO CCOC1CC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000347404830 376092350 /nfs/dbraw/zinc/09/23/50/376092350.db2.gz BENMOBYSQPDDRX-UHFFFAOYSA-N 1 2 268.317 1.328 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000172278194 377412082 /nfs/dbraw/zinc/41/20/82/377412082.db2.gz XMSWGDGPNFCUBN-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000172278194 377412086 /nfs/dbraw/zinc/41/20/86/377412086.db2.gz XMSWGDGPNFCUBN-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Nc1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000443481790 250032486 /nfs/dbraw/zinc/03/24/86/250032486.db2.gz GRBNHEROLLCNRQ-UHFFFAOYSA-N 1 2 280.671 1.266 20 5 CDBDLO COCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000048611209 391629794 /nfs/dbraw/zinc/62/97/94/391629794.db2.gz JRXPPFRENZERMI-UHFFFAOYSA-N 1 2 281.312 1.420 20 5 CDBDLO COCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000048611209 391629799 /nfs/dbraw/zinc/62/97/99/391629799.db2.gz JRXPPFRENZERMI-UHFFFAOYSA-N 1 2 281.312 1.420 20 5 CDBDLO O=C(CCn1cc[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000522242912 392876005 /nfs/dbraw/zinc/87/60/05/392876005.db2.gz XJTVNOJONFNPPF-UHFFFAOYSA-N 1 2 274.280 1.498 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269263936 132145858 /nfs/dbraw/zinc/14/58/58/132145858.db2.gz CEVXXTZUGKUAJT-UHFFFAOYSA-N 1 2 279.296 1.078 20 5 CDBDLO O=[N+]([O-])c1ncn(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000187901768 140085828 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CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000071012086 176020958 /nfs/dbraw/zinc/02/09/58/176020958.db2.gz YXRFFTMSDKKTHC-LBPRGKRZSA-N 1 2 298.364 1.604 20 5 CDBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000071012086 176020959 /nfs/dbraw/zinc/02/09/59/176020959.db2.gz YXRFFTMSDKKTHC-LBPRGKRZSA-N 1 2 298.364 1.604 20 5 CDBDLO Cc1nn(C)c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000517948726 260325197 /nfs/dbraw/zinc/32/51/97/260325197.db2.gz JHAXCKOOOXKRCX-UHFFFAOYSA-N 1 2 292.299 1.025 20 5 CDBDLO CC[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000049947560 424454937 /nfs/dbraw/zinc/45/49/37/424454937.db2.gz YKKUMRASHSTGJJ-UHFFFAOYSA-N 1 2 266.297 1.898 20 5 CDBDLO CC[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000049947560 424454943 /nfs/dbraw/zinc/45/49/43/424454943.db2.gz YKKUMRASHSTGJJ-UHFFFAOYSA-N 1 2 266.297 1.898 20 5 CDBDLO Cc1c(C(=O)NCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000542481658 289545769 /nfs/dbraw/zinc/54/57/69/289545769.db2.gz XDLDQLTTZHNIAJ-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cc(F)c2=O)C[C@H](C)O1 ZINC000580572386 324504866 /nfs/dbraw/zinc/50/48/66/324504866.db2.gz UOROSWQTHQWGLG-UWVGGRQHSA-N 1 2 299.302 1.005 20 5 CDBDLO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184639186 519680549 /nfs/dbraw/zinc/68/05/49/519680549.db2.gz YWNRADWALOWDTJ-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000338536874 521279681 /nfs/dbraw/zinc/27/96/81/521279681.db2.gz MKVJRPRLKBIAAP-UHFFFAOYSA-N 1 2 290.279 1.647 20 5 CDBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000339189840 521292482 /nfs/dbraw/zinc/29/24/82/521292482.db2.gz TWMFFMRUDZKKCJ-VIFPVBQESA-N 1 2 254.286 1.503 20 5 CDBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000339189840 521292487 /nfs/dbraw/zinc/29/24/87/521292487.db2.gz TWMFFMRUDZKKCJ-VIFPVBQESA-N 1 2 254.286 1.503 20 5 CDBDLO Cc1nn(C[N@H+]2CCCOC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000772826350 575757326 /nfs/dbraw/zinc/75/73/26/575757326.db2.gz YBSDEMZLYJIIRY-SECBINFHSA-N 1 2 268.317 1.476 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCOC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000772826350 575757328 /nfs/dbraw/zinc/75/73/28/575757328.db2.gz YBSDEMZLYJIIRY-SECBINFHSA-N 1 2 268.317 1.476 20 5 CDBDLO C[N@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768136721 576259997 /nfs/dbraw/zinc/25/99/97/576259997.db2.gz DBAJXYCDALVTDN-UHFFFAOYSA-N 1 2 289.129 1.781 20 5 CDBDLO C[N@@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768136721 576260002 /nfs/dbraw/zinc/26/00/02/576260002.db2.gz DBAJXYCDALVTDN-UHFFFAOYSA-N 1 2 289.129 1.781 20 5 CDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCF)CC1 ZINC000746492915 576779218 /nfs/dbraw/zinc/77/92/18/576779218.db2.gz CIBWXNGLRIRWGZ-UHFFFAOYSA-N 1 2 253.277 1.686 20 5 CDBDLO Cc1nn(C[N@H+]2CCOC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000753986370 576871547 /nfs/dbraw/zinc/87/15/47/576871547.db2.gz NDXMZBUXASZBSJ-SECBINFHSA-N 1 2 268.317 1.334 20 5 CDBDLO Cc1nn(C[N@@H+]2CCOC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000753986370 576871549 /nfs/dbraw/zinc/87/15/49/576871549.db2.gz NDXMZBUXASZBSJ-SECBINFHSA-N 1 2 268.317 1.334 20 5 CDBDLO Cc1noc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000754691940 576911226 /nfs/dbraw/zinc/91/12/26/576911226.db2.gz HUWZIWQOCXSACV-UFBFGSQYSA-N 1 2 292.295 1.670 20 5 CDBDLO CC(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCOCC1 ZINC000891677966 617534485 /nfs/dbraw/zinc/53/44/85/617534485.db2.gz JNDQYIFXSKZZAO-LLVKDONJSA-N 1 2 297.359 1.097 20 5 CDBDLO COc1ccc(Br)c(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899870844 622496366 /nfs/dbraw/zinc/49/63/66/622496366.db2.gz KKWNWCXKGABFHH-UHFFFAOYSA-N 1 2 289.129 1.824 20 5 CDBDLO COc1ccc(C[C@@H](C)[NH+]2CC(C)(O)C2)c([N+](=O)[O-])c1 ZINC001170327131 1162337666 /nfs/dbraw/zinc/33/76/66/1162337666.db2.gz FCKLVQIJEGSEKL-SNVBAGLBSA-N 1 2 280.324 1.601 20 5 CDBDLO O=[N+]([O-])CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000931258988 751447264 /nfs/dbraw/zinc/44/72/64/751447264.db2.gz NRXUJDKZJNGRAH-UHFFFAOYSA-N 1 2 274.324 1.567 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000800848184 751629684 /nfs/dbraw/zinc/62/96/84/751629684.db2.gz PRCDQAPAVIXUBM-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000800848184 751629706 /nfs/dbraw/zinc/62/97/06/751629706.db2.gz PRCDQAPAVIXUBM-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nncn1C ZINC000788586562 751872757 /nfs/dbraw/zinc/87/27/57/751872757.db2.gz DDERRIPWHSJCST-IUCAKERBSA-N 1 2 290.327 1.717 20 5 CDBDLO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000930290012 751305414 /nfs/dbraw/zinc/30/54/14/751305414.db2.gz HQAGKECNUYMAOM-SECBINFHSA-N 1 2 294.229 1.485 20 5 CDBDLO Cc1c(C[NH2+]Cc2nncn2C)cccc1[N+](=O)[O-] ZINC000050417757 751317818 /nfs/dbraw/zinc/31/78/18/751317818.db2.gz OBCVJIDIWQZJTL-UHFFFAOYSA-N 1 2 261.285 1.322 20 5 CDBDLO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275967 752813688 /nfs/dbraw/zinc/81/36/88/752813688.db2.gz MBUMGDFEBCHIOC-CYBMUJFWSA-N 1 2 295.339 1.085 20 5 CDBDLO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275967 752813690 /nfs/dbraw/zinc/81/36/90/752813690.db2.gz MBUMGDFEBCHIOC-CYBMUJFWSA-N 1 2 295.339 1.085 20 5 CDBDLO CC[NH2+]Cc1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000843142442 752849183 /nfs/dbraw/zinc/84/91/83/752849183.db2.gz YJTKEYMPFAXERI-UHFFFAOYSA-N 1 2 291.311 1.724 20 5 CDBDLO CCOc1cnc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001167613487 897032335 /nfs/dbraw/zinc/03/23/35/897032335.db2.gz KVSYGGIZRJNSHQ-UHFFFAOYSA-N 1 2 289.295 1.978 20 5 CDBDLO COC(=O)c1ccc(COC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001223409919 901432622 /nfs/dbraw/zinc/43/26/22/901432622.db2.gz HUCYREYHMRTAGR-UHFFFAOYSA-N 1 2 280.280 1.212 20 5 CDBDLO CN(C)c1ccc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001169656879 928299779 /nfs/dbraw/zinc/29/97/79/928299779.db2.gz OJMCDTGYEBWWED-LBPRGKRZSA-N 1 2 294.355 1.403 20 5 CDBDLO CN(C)c1ccc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001169656879 928299791 /nfs/dbraw/zinc/29/97/91/928299791.db2.gz OJMCDTGYEBWWED-LBPRGKRZSA-N 1 2 294.355 1.403 20 5 CDBDLO CN(C)C(=O)OCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001116661919 937464490 /nfs/dbraw/zinc/46/44/90/937464490.db2.gz LVQZHAIZBOARKQ-UHFFFAOYSA-N 1 2 281.312 1.725 20 5 CDBDLO CN(C)C(=O)OCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001116661919 937464491 /nfs/dbraw/zinc/46/44/91/937464491.db2.gz LVQZHAIZBOARKQ-UHFFFAOYSA-N 1 2 281.312 1.725 20 5 CDBDLO Nc1cc(CNc2cc(N)c([N+](=O)[O-])cn2)cc[nH+]1 ZINC001156757601 938415111 /nfs/dbraw/zinc/41/51/11/938415111.db2.gz XVTFXHFRHZDPSV-UHFFFAOYSA-N 1 2 260.257 1.161 20 5 CDBDLO Cc1c(C)c(N2CC[NH2+]CC(F)(F)C2)ncc1[N+](=O)[O-] ZINC001164493025 939479091 /nfs/dbraw/zinc/47/90/91/939479091.db2.gz LHVKJNKFTQGEOG-UHFFFAOYSA-N 1 2 286.282 1.652 20 5 CDBDLO COc1cc(O[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001225435630 941858351 /nfs/dbraw/zinc/85/83/51/941858351.db2.gz KQEWJPQSJXWYNW-LLVKDONJSA-N 1 2 296.323 1.703 20 5 CDBDLO Cc1c(OC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001225689437 941900436 /nfs/dbraw/zinc/90/04/36/941900436.db2.gz GWFUMTIVVXPZEU-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1c(OC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001225689437 941900437 /nfs/dbraw/zinc/90/04/37/941900437.db2.gz GWFUMTIVVXPZEU-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccnc(OC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001226119031 941953418 /nfs/dbraw/zinc/95/34/18/941953418.db2.gz NWHWFAILXHBYFM-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1ccnc(OC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001226119031 941953421 /nfs/dbraw/zinc/95/34/21/941953421.db2.gz NWHWFAILXHBYFM-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364529 941993382 /nfs/dbraw/zinc/99/33/82/941993382.db2.gz NOKHRRNFBUJGDN-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364529 941993386 /nfs/dbraw/zinc/99/33/86/941993386.db2.gz NOKHRRNFBUJGDN-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762585 942065380 /nfs/dbraw/zinc/06/53/80/942065380.db2.gz VYQVDBGJGXWHTP-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762585 942065385 /nfs/dbraw/zinc/06/53/85/942065385.db2.gz VYQVDBGJGXWHTP-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO C[C@H](C[NH+](C)C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242017 942283445 /nfs/dbraw/zinc/28/34/45/942283445.db2.gz IKKRSBUSSRZKML-MRVPVSSYSA-N 1 2 292.295 1.573 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937759 942397039 /nfs/dbraw/zinc/39/70/39/942397039.db2.gz IYDMFOQLOGYPNN-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937759 942397042 /nfs/dbraw/zinc/39/70/42/942397042.db2.gz IYDMFOQLOGYPNN-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO CO[C@@H]1CC[N@H+](CCOc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228974603 942402091 /nfs/dbraw/zinc/40/20/91/942402091.db2.gz UMUPRCBONJRGLC-SNVBAGLBSA-N 1 2 298.295 1.106 20 5 CDBDLO CO[C@@H]1CC[N@@H+](CCOc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228974603 942402092 /nfs/dbraw/zinc/40/20/92/942402092.db2.gz UMUPRCBONJRGLC-SNVBAGLBSA-N 1 2 298.295 1.106 20 5 CDBDLO C[NH+]1CC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231159429 942802713 /nfs/dbraw/zinc/80/27/13/942802713.db2.gz WKEVLFMBXYKFOK-UHFFFAOYSA-N 1 2 259.265 1.836 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698282 943642598 /nfs/dbraw/zinc/64/25/98/943642598.db2.gz IBBDTRLOPMXHLB-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698282 943642601 /nfs/dbraw/zinc/64/26/01/943642601.db2.gz IBBDTRLOPMXHLB-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC001333446507 958343662 /nfs/dbraw/zinc/34/36/62/958343662.db2.gz LGDGMKQKUKZKRF-UHFFFAOYSA-N 1 2 268.292 1.010 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC001333446507 958343675 /nfs/dbraw/zinc/34/36/75/958343675.db2.gz LGDGMKQKUKZKRF-UHFFFAOYSA-N 1 2 268.292 1.010 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1CCOCC1(C)C ZINC001322440073 960222200 /nfs/dbraw/zinc/22/22/00/960222200.db2.gz ISVUVNUKIGLRIZ-UHFFFAOYSA-N 1 2 294.355 1.243 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CCOCC1(C)C ZINC001322440073 960222207 /nfs/dbraw/zinc/22/22/07/960222207.db2.gz ISVUVNUKIGLRIZ-UHFFFAOYSA-N 1 2 294.355 1.243 20 5 CDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588070238 342492167 /nfs/dbraw/zinc/49/21/67/342492167.db2.gz UWVVCGUQFRKXPU-NWDGAFQWSA-N 1 2 292.339 1.289 20 5 CDBDLO C[C@@H](O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092969204 342420933 /nfs/dbraw/zinc/42/09/33/342420933.db2.gz FQMXZPDJSIYTNU-SNVBAGLBSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459196 343804386 /nfs/dbraw/zinc/80/43/86/343804386.db2.gz FFTGWGBTBJFQTI-JTQLQIEISA-N 1 2 288.307 1.748 20 5 CDBDLO CO[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896847 344653107 /nfs/dbraw/zinc/65/31/07/344653107.db2.gz JUYXHKCNCZXNPX-CYBMUJFWSA-N 1 2 266.297 1.442 20 5 CDBDLO CO[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896847 344653109 /nfs/dbraw/zinc/65/31/09/344653109.db2.gz JUYXHKCNCZXNPX-CYBMUJFWSA-N 1 2 266.297 1.442 20 5 CDBDLO COC[C@](C)(CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000602930764 344661867 /nfs/dbraw/zinc/66/18/67/344661867.db2.gz DCQGXVBVFQKPNM-LBPRGKRZSA-N 1 2 290.266 1.360 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1C ZINC000344142011 362544213 /nfs/dbraw/zinc/54/42/13/362544213.db2.gz MAAWMORHDIXVEX-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO Cn1c[nH+]cc1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000350392756 346348014 /nfs/dbraw/zinc/34/80/14/346348014.db2.gz CWOIPALEGYZWDS-UHFFFAOYSA-N 1 2 285.263 1.969 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000610806863 346442449 /nfs/dbraw/zinc/44/24/49/346442449.db2.gz CRTZGCGHPZXHLL-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000610806863 346442451 /nfs/dbraw/zinc/44/24/51/346442451.db2.gz CRTZGCGHPZXHLL-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000612345986 347124721 /nfs/dbraw/zinc/12/47/21/347124721.db2.gz AJSSNZRWKCOMQT-UHFFFAOYSA-N 1 2 275.268 1.636 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cn1 ZINC000273991990 192392809 /nfs/dbraw/zinc/39/28/09/192392809.db2.gz RSXWGJALYIJVIC-UHFFFAOYSA-N 1 2 262.273 1.108 20 5 CDBDLO CCc1[nH]nc(C(=O)Nc2c[nH+]ccc2OC)c1[N+](=O)[O-] ZINC000264391761 366195800 /nfs/dbraw/zinc/19/58/00/366195800.db2.gz ZEULMLPGYYNREP-UHFFFAOYSA-N 1 2 291.267 1.536 20 5 CDBDLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250151 356303253 /nfs/dbraw/zinc/30/32/53/356303253.db2.gz QQZHLBSSPAIWEQ-MNOVXSKESA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250151 356303256 /nfs/dbraw/zinc/30/32/56/356303256.db2.gz QQZHLBSSPAIWEQ-MNOVXSKESA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000046483382 357144354 /nfs/dbraw/zinc/14/43/54/357144354.db2.gz PBXARKMALSBGAK-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262165281 357432728 /nfs/dbraw/zinc/43/27/28/357432728.db2.gz JNWYMADRIWALSH-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000092547519 358552835 /nfs/dbraw/zinc/55/28/35/358552835.db2.gz LPXQTTQWKORHMT-UHFFFAOYSA-N 1 2 279.296 1.723 20 5 CDBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000092547519 358552837 /nfs/dbraw/zinc/55/28/37/358552837.db2.gz LPXQTTQWKORHMT-UHFFFAOYSA-N 1 2 279.296 1.723 20 5 CDBDLO O=C(CCn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000338057251 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265.313 1.553 20 5 CDBDLO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000292002285 198131547 /nfs/dbraw/zinc/13/15/47/198131547.db2.gz VJHAXGFFNDIKBW-SNVBAGLBSA-N 1 2 295.339 1.759 20 5 CDBDLO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000292002285 198131549 /nfs/dbraw/zinc/13/15/49/198131549.db2.gz VJHAXGFFNDIKBW-SNVBAGLBSA-N 1 2 295.339 1.759 20 5 CDBDLO CC(=O)N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000157843010 188342122 /nfs/dbraw/zinc/34/21/22/188342122.db2.gz KUVQMLXPNNFJJC-UHFFFAOYSA-N 1 2 277.324 1.567 20 5 CDBDLO C[C@]1(O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286528085 356949585 /nfs/dbraw/zinc/94/95/85/356949585.db2.gz SVFRQTGIIGNVKJ-LBPRGKRZSA-N 1 2 272.251 1.830 20 5 CDBDLO C[C@]1(O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286528085 356949588 /nfs/dbraw/zinc/94/95/88/356949588.db2.gz SVFRQTGIIGNVKJ-LBPRGKRZSA-N 1 2 272.251 1.830 20 5 CDBDLO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000261978398 357349120 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291.307 1.540 20 5 CDBDLO Cc1c(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363840680 159346231 /nfs/dbraw/zinc/34/62/31/159346231.db2.gz FXSDRLJIVZEYCR-LBPRGKRZSA-N 1 2 291.307 1.540 20 5 CDBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000373288776 160189271 /nfs/dbraw/zinc/18/92/71/160189271.db2.gz ZHOJMTLZYJAEQQ-UHFFFAOYSA-N 1 2 276.300 1.352 20 5 CDBDLO Nc1c(C(=O)NCCc2[nH]cc[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC000172990984 261156298 /nfs/dbraw/zinc/15/62/98/261156298.db2.gz NFYLRCIOEFIHCE-UHFFFAOYSA-N 1 2 293.258 1.012 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000048576499 424256276 /nfs/dbraw/zinc/25/62/76/424256276.db2.gz ANLILFREFJVMOL-UHFFFAOYSA-N 1 2 260.253 1.221 20 5 CDBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000274016324 278559646 /nfs/dbraw/zinc/55/96/46/278559646.db2.gz VQVFBNLJTRFWNP-ZYHUDNBSSA-N 1 2 288.311 1.669 20 5 CDBDLO Cc1c(C[N@H+]2CCN(C)C(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000331319658 280225679 /nfs/dbraw/zinc/22/56/79/280225679.db2.gz IGXJOQQBEHFGIJ-UHFFFAOYSA-N 1 2 291.351 1.956 20 5 CDBDLO Cc1c(C[N@@H+]2CCN(C)C(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000331319658 280225682 /nfs/dbraw/zinc/22/56/82/280225682.db2.gz IGXJOQQBEHFGIJ-UHFFFAOYSA-N 1 2 291.351 1.956 20 5 CDBDLO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286209430 300003631 /nfs/dbraw/zinc/00/36/31/300003631.db2.gz SNZLXYSSMFLVQH-WCBMZHEXSA-N 1 2 279.296 1.028 20 5 CDBDLO Cc1noc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000577742717 317394957 /nfs/dbraw/zinc/39/49/57/317394957.db2.gz DJLVIGOQLKMQEH-QMMMGPOBSA-N 1 2 280.288 1.176 20 5 CDBDLO Cc1noc([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000577742717 317394960 /nfs/dbraw/zinc/39/49/60/317394960.db2.gz DJLVIGOQLKMQEH-QMMMGPOBSA-N 1 2 280.288 1.176 20 5 CDBDLO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184765532 323372939 /nfs/dbraw/zinc/37/29/39/323372939.db2.gz CXYJUIDAAJUFBT-JTQLQIEISA-N 1 2 293.323 1.372 20 5 CDBDLO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184765532 323372942 /nfs/dbraw/zinc/37/29/42/323372942.db2.gz CXYJUIDAAJUFBT-JTQLQIEISA-N 1 2 293.323 1.372 20 5 CDBDLO C[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272487678 533713670 /nfs/dbraw/zinc/71/36/70/533713670.db2.gz DFDMBQWXSSAAEG-ZWNOBZJWSA-N 1 2 290.323 1.388 20 5 CDBDLO C[C@H](O)CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000304334213 534062243 /nfs/dbraw/zinc/06/22/43/534062243.db2.gz WFYPLABZPPENKT-VIFPVBQESA-N 1 2 256.277 1.937 20 5 CDBDLO C[C@H](O)CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000304334213 534062248 /nfs/dbraw/zinc/06/22/48/534062248.db2.gz WFYPLABZPPENKT-VIFPVBQESA-N 1 2 256.277 1.937 20 5 CDBDLO CNc1c(C(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000161413664 522537530 /nfs/dbraw/zinc/53/75/30/522537530.db2.gz NRNXJLIUGWDNTJ-UHFFFAOYSA-N 1 2 278.312 1.024 20 5 CDBDLO Cc1[nH+]c2ccccn2c1Cn1cccc([N+](=O)[O-])c1=O ZINC000150948558 527180037 /nfs/dbraw/zinc/18/00/37/527180037.db2.gz SKDROMMYGGTAII-UHFFFAOYSA-N 1 2 284.275 1.761 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340966114 574450328 /nfs/dbraw/zinc/45/03/28/574450328.db2.gz KDYHOLBHBRBSJD-MNOVXSKESA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340966114 574450330 /nfs/dbraw/zinc/45/03/30/574450330.db2.gz KDYHOLBHBRBSJD-MNOVXSKESA-N 1 2 293.323 1.297 20 5 CDBDLO CCn1c[nH+]c2c1CCN(Cn1cc([N+](=O)[O-])cn1)C2 ZINC000902550654 624962841 /nfs/dbraw/zinc/96/28/41/624962841.db2.gz FPTUYBWNAJYIRX-UHFFFAOYSA-N 1 2 276.300 1.024 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001155196531 1167104505 /nfs/dbraw/zinc/10/45/05/1167104505.db2.gz NTLDLTOFYGYLEZ-VIFPVBQESA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001155196531 1167104511 /nfs/dbraw/zinc/10/45/11/1167104511.db2.gz NTLDLTOFYGYLEZ-VIFPVBQESA-N 1 2 286.719 1.386 20 5 CDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Cn1cc[nH+]c1 ZINC001582803826 1172692458 /nfs/dbraw/zinc/69/24/58/1172692458.db2.gz WJIHKDNCXZSCOE-UHFFFAOYSA-N 1 2 271.240 1.020 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000172495138 768825424 /nfs/dbraw/zinc/82/54/24/768825424.db2.gz ZVYIVOPVBMPRCE-VIFPVBQESA-N 1 2 268.317 1.476 20 5 CDBDLO Cc1nn(C[N@H+]2CCCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000172495138 768825428 /nfs/dbraw/zinc/82/54/28/768825428.db2.gz ZVYIVOPVBMPRCE-VIFPVBQESA-N 1 2 268.317 1.476 20 5 CDBDLO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000819366874 768858838 /nfs/dbraw/zinc/85/88/38/768858838.db2.gz ASMOUUWWFWNBFS-UFBFGSQYSA-N 1 2 294.336 1.831 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000886243293 768876504 /nfs/dbraw/zinc/87/65/04/768876504.db2.gz USZOFVVROQUNJX-NEPJUHHUSA-N 1 2 263.297 1.601 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000886243293 768876505 /nfs/dbraw/zinc/87/65/05/768876505.db2.gz USZOFVVROQUNJX-NEPJUHHUSA-N 1 2 263.297 1.601 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865441331 769701780 /nfs/dbraw/zinc/70/17/80/769701780.db2.gz OYBDFLCUSFIFDV-VIFPVBQESA-N 1 2 294.286 1.923 20 5 CDBDLO C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000121506519 770824671 /nfs/dbraw/zinc/82/46/71/770824671.db2.gz OJJVEKRLOZROHL-YPMHNXCESA-N 1 2 290.327 1.528 20 5 CDBDLO Cc1cccc(N2CC[NH+](CC[N+](=O)[O-])CC2)c1C ZINC000791054605 771326641 /nfs/dbraw/zinc/32/66/41/771326641.db2.gz WEMCULFAXXEJHY-UHFFFAOYSA-N 1 2 263.341 1.702 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(O)(CO)CC1 ZINC000313646863 771330696 /nfs/dbraw/zinc/33/06/96/771330696.db2.gz XLXFCECIODACNV-UHFFFAOYSA-N 1 2 284.287 1.053 20 5 CDBDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949980 771896709 /nfs/dbraw/zinc/89/67/09/771896709.db2.gz RCBWUKPFSGCUDS-ZDUSSCGKSA-N 1 2 276.296 1.450 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841687439 772309997 /nfs/dbraw/zinc/30/99/97/772309997.db2.gz JEZNMEQAOWSKMS-UHFFFAOYSA-N 1 2 280.328 1.782 20 5 CDBDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226167003 904981124 /nfs/dbraw/zinc/98/11/24/904981124.db2.gz BSISYDXGVLRPQH-UHFFFAOYSA-N 1 2 279.296 1.165 20 5 CDBDLO CC(C)c1[nH]cc(CNc2ncc([N+](=O)[O-])c(N)n2)[nH+]1 ZINC001307219048 954914463 /nfs/dbraw/zinc/91/44/63/954914463.db2.gz GYZGIPIZYBMPEG-UHFFFAOYSA-N 1 2 277.288 1.426 20 5 CDBDLO CC(C)c1[nH]c(CNc2ncc([N+](=O)[O-])c(N)n2)c[nH+]1 ZINC001307219048 954914472 /nfs/dbraw/zinc/91/44/72/954914472.db2.gz GYZGIPIZYBMPEG-UHFFFAOYSA-N 1 2 277.288 1.426 20 5 CDBDLO CCOC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC001319604031 958649283 /nfs/dbraw/zinc/64/92/83/958649283.db2.gz NXFWSRYKWUBEDK-UHFFFAOYSA-N 1 2 296.327 1.257 20 5 CDBDLO CSC[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320467087 959188114 /nfs/dbraw/zinc/18/81/14/959188114.db2.gz TYQDWYBUFGKSAI-GFCCVEGCSA-N 1 2 268.338 1.634 20 5 CDBDLO CSC[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320467087 959188121 /nfs/dbraw/zinc/18/81/21/959188121.db2.gz TYQDWYBUFGKSAI-GFCCVEGCSA-N 1 2 268.338 1.634 20 5 CDBDLO CC(F)(F)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591767807 342646007 /nfs/dbraw/zinc/64/60/07/342646007.db2.gz PAKQJLUYRCCCAV-SNVBAGLBSA-N 1 2 290.266 1.579 20 5 CDBDLO Cc1ccnc(N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000070496112 361983362 /nfs/dbraw/zinc/98/33/62/361983362.db2.gz OXMSXYIUWCMYHG-JTQLQIEISA-N 1 2 261.285 1.995 20 5 CDBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000056510750 342237206 /nfs/dbraw/zinc/23/72/06/342237206.db2.gz FRPQVDKMEFHETP-UHFFFAOYSA-N 1 2 279.340 1.895 20 5 CDBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000056510750 342237207 /nfs/dbraw/zinc/23/72/07/342237207.db2.gz FRPQVDKMEFHETP-UHFFFAOYSA-N 1 2 279.340 1.895 20 5 CDBDLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000042512212 342264815 /nfs/dbraw/zinc/26/48/15/342264815.db2.gz LEVNYLICFSAYBX-JTQLQIEISA-N 1 2 288.307 1.918 20 5 CDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595476651 343064338 /nfs/dbraw/zinc/06/43/38/343064338.db2.gz SNMKTSQZKLKUAM-DGCLKSJQSA-N 1 2 293.298 1.444 20 5 CDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595476651 343064339 /nfs/dbraw/zinc/06/43/39/343064339.db2.gz SNMKTSQZKLKUAM-DGCLKSJQSA-N 1 2 293.298 1.444 20 5 CDBDLO COCCO[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595476226 343064401 /nfs/dbraw/zinc/06/44/01/343064401.db2.gz YUEWCJFMTDGNAO-SNVBAGLBSA-N 1 2 285.300 1.129 20 5 CDBDLO COCCO[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595476226 343064402 /nfs/dbraw/zinc/06/44/02/343064402.db2.gz YUEWCJFMTDGNAO-SNVBAGLBSA-N 1 2 285.300 1.129 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000596620272 343358109 /nfs/dbraw/zinc/35/81/09/343358109.db2.gz PPAMWTRVSMYNIP-JTQLQIEISA-N 1 2 286.291 1.992 20 5 CDBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000619566831 349805853 /nfs/dbraw/zinc/80/58/53/349805853.db2.gz URPUTNNGZUZETN-UHFFFAOYSA-N 1 2 272.224 1.218 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000602821036 344609944 /nfs/dbraw/zinc/60/99/44/344609944.db2.gz JJYHXDCQMFBSHB-LBPRGKRZSA-N 1 2 290.327 1.660 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000602821036 344609946 /nfs/dbraw/zinc/60/99/46/344609946.db2.gz JJYHXDCQMFBSHB-LBPRGKRZSA-N 1 2 290.327 1.660 20 5 CDBDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000293156769 362533682 /nfs/dbraw/zinc/53/36/82/362533682.db2.gz MSFXBWDACYWYSH-QMMMGPOBSA-N 1 2 261.285 1.872 20 5 CDBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1CC1 ZINC000088607681 346073268 /nfs/dbraw/zinc/07/32/68/346073268.db2.gz MHXOPYADPOASNO-UHFFFAOYSA-N 1 2 275.308 1.232 20 5 CDBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NC1CC1 ZINC000088607681 346073272 /nfs/dbraw/zinc/07/32/72/346073272.db2.gz MHXOPYADPOASNO-UHFFFAOYSA-N 1 2 275.308 1.232 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000610806864 346442133 /nfs/dbraw/zinc/44/21/33/346442133.db2.gz CRTZGCGHPZXHLL-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000610806864 346442139 /nfs/dbraw/zinc/44/21/39/346442139.db2.gz CRTZGCGHPZXHLL-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000611087494 346602482 /nfs/dbraw/zinc/60/24/82/346602482.db2.gz MFMGTSDDOPJVPR-VIFPVBQESA-N 1 2 283.353 1.823 20 5 CDBDLO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000611087494 346602487 /nfs/dbraw/zinc/60/24/87/346602487.db2.gz MFMGTSDDOPJVPR-VIFPVBQESA-N 1 2 283.353 1.823 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068191631 349053825 /nfs/dbraw/zinc/05/38/25/349053825.db2.gz OZYQJXVDYLEKOK-UHFFFAOYSA-N 1 2 269.326 1.434 20 5 CDBDLO Cc1cnc(N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000090692182 180024231 /nfs/dbraw/zinc/02/42/31/180024231.db2.gz GCLJDEBMXNAUOZ-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1cnc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000090692176 180024627 /nfs/dbraw/zinc/02/46/27/180024627.db2.gz RXXBIQIUVGINBJ-SNVBAGLBSA-N 1 2 261.285 1.995 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC2(CCC2)O1 ZINC000566185013 357425842 /nfs/dbraw/zinc/42/58/42/357425842.db2.gz SWJSAIOJCXPTHX-SNVBAGLBSA-N 1 2 280.328 1.472 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC2(CCC2)O1 ZINC000566185013 357425845 /nfs/dbraw/zinc/42/58/45/357425845.db2.gz SWJSAIOJCXPTHX-SNVBAGLBSA-N 1 2 280.328 1.472 20 5 CDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408085695 357817785 /nfs/dbraw/zinc/81/77/85/357817785.db2.gz BZRBKCMUQPQJSH-UWVGGRQHSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408085695 357817788 /nfs/dbraw/zinc/81/77/88/357817788.db2.gz BZRBKCMUQPQJSH-UWVGGRQHSA-N 1 2 293.323 1.465 20 5 CDBDLO Cc1cc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])s1 ZINC000596055099 358655835 /nfs/dbraw/zinc/65/58/35/358655835.db2.gz DMBFHKOZLKKUHC-UHFFFAOYSA-N 1 2 271.342 1.079 20 5 CDBDLO COc1ccc(C[N@H+](C)CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000051589828 358904603 /nfs/dbraw/zinc/90/46/03/358904603.db2.gz CAHUTYQUHDXBLN-UHFFFAOYSA-N 1 2 295.339 1.560 20 5 CDBDLO COc1ccc(C[N@@H+](C)CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000051589828 358904605 /nfs/dbraw/zinc/90/46/05/358904605.db2.gz CAHUTYQUHDXBLN-UHFFFAOYSA-N 1 2 295.339 1.560 20 5 CDBDLO O=C(C[N@H+]1CCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000047865658 359185885 /nfs/dbraw/zinc/18/58/85/359185885.db2.gz YUQIRRWUYFFKBV-NSHDSACASA-N 1 2 293.323 1.238 20 5 CDBDLO O=C(C[N@@H+]1CCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000047865658 359185887 /nfs/dbraw/zinc/18/58/87/359185887.db2.gz YUQIRRWUYFFKBV-NSHDSACASA-N 1 2 293.323 1.238 20 5 CDBDLO Cc1ccnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000362217609 359701755 /nfs/dbraw/zinc/70/17/55/359701755.db2.gz 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CCOC(=O)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000760916804 576524342 /nfs/dbraw/zinc/52/43/42/576524342.db2.gz NQCNDKNICNIKKI-LLVKDONJSA-N 1 2 298.343 1.359 20 5 CDBDLO Nc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000763289919 576729439 /nfs/dbraw/zinc/72/94/39/576729439.db2.gz XPAYPRZNJOFLQA-UHFFFAOYSA-N 1 2 290.279 1.621 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1CO ZINC000934013648 617843896 /nfs/dbraw/zinc/84/38/96/617843896.db2.gz GHTNULUAWVAXFH-LLVKDONJSA-N 1 2 252.270 1.170 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1CO ZINC000934013648 617843898 /nfs/dbraw/zinc/84/38/98/617843898.db2.gz GHTNULUAWVAXFH-LLVKDONJSA-N 1 2 252.270 1.170 20 5 CDBDLO O=C(C[NH2+]CC[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000905062791 626611110 /nfs/dbraw/zinc/61/11/10/626611110.db2.gz PKEFZESKLDNXNK-UHFFFAOYSA-N 1 2 257.677 1.145 20 5 CDBDLO Cn1c(C[NH2+]CC[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC000905217256 626696831 /nfs/dbraw/zinc/69/68/31/626696831.db2.gz IWSPTYCCIXJATN-UHFFFAOYSA-N 1 2 268.704 1.593 20 5 CDBDLO COCCCOC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000172914551 774360124 /nfs/dbraw/zinc/36/01/24/774360124.db2.gz FFKXZZIBLYELFG-UHFFFAOYSA-N 1 2 298.343 1.266 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817415758 774747249 /nfs/dbraw/zinc/74/72/49/774747249.db2.gz YFRBPLDNPNFHOS-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817415758 774747252 /nfs/dbraw/zinc/74/72/52/774747252.db2.gz YFRBPLDNPNFHOS-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)n1 ZINC000925311095 777785350 /nfs/dbraw/zinc/78/53/50/777785350.db2.gz CRGHHFGVXFFYOO-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000802783207 777883827 /nfs/dbraw/zinc/88/38/27/777883827.db2.gz ISEHXDIKURRYIU-UHFFFAOYSA-N 1 2 292.295 1.456 20 5 CDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346431 778423135 /nfs/dbraw/zinc/42/31/35/778423135.db2.gz IFPRETATQKAQMG-PHIMTYICSA-N 1 2 296.348 1.320 20 5 CDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346431 778423151 /nfs/dbraw/zinc/42/31/51/778423151.db2.gz IFPRETATQKAQMG-PHIMTYICSA-N 1 2 296.348 1.320 20 5 CDBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886171916 778547420 /nfs/dbraw/zinc/54/74/20/778547420.db2.gz RTXOTURGBFQCTR-GFCCVEGCSA-N 1 2 283.328 1.208 20 5 CDBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886171916 778547440 /nfs/dbraw/zinc/54/74/40/778547440.db2.gz RTXOTURGBFQCTR-GFCCVEGCSA-N 1 2 283.328 1.208 20 5 CDBDLO CN(C(=O)c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])nc1 ZINC000808794536 778815186 /nfs/dbraw/zinc/81/51/86/778815186.db2.gz JZYNYIWJUJAEPQ-UHFFFAOYSA-N 1 2 297.274 1.914 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOCC23CC3)cc1 ZINC000801982446 779282568 /nfs/dbraw/zinc/28/25/68/779282568.db2.gz PYBZBKSZHPCZRI-CYBMUJFWSA-N 1 2 278.308 1.493 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOCC23CC3)cc1 ZINC000801982446 779282572 /nfs/dbraw/zinc/28/25/72/779282572.db2.gz PYBZBKSZHPCZRI-CYBMUJFWSA-N 1 2 278.308 1.493 20 5 CDBDLO CC[N@H+](C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000194010406 780111728 /nfs/dbraw/zinc/11/17/28/780111728.db2.gz XPWXOSQNRGCVEX-NSHDSACASA-N 1 2 254.290 1.250 20 5 CDBDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000194010406 780111732 /nfs/dbraw/zinc/11/17/32/780111732.db2.gz XPWXOSQNRGCVEX-NSHDSACASA-N 1 2 254.290 1.250 20 5 CDBDLO COc1cc(OC2C[NH+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001226580721 905350497 /nfs/dbraw/zinc/35/04/97/905350497.db2.gz CNWQHRRUMUYIQT-UHFFFAOYSA-N 1 2 281.312 1.860 20 5 CDBDLO CC[NH2+]Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000843144824 920290152 /nfs/dbraw/zinc/29/01/52/920290152.db2.gz KYTDAYHKMJUFFQ-UHFFFAOYSA-N 1 2 276.296 1.987 20 5 CDBDLO O=[N+]([O-])c1c[nH]c2ncnc(NCCCn3cc[nH+]c3)c12 ZINC001161682278 938919839 /nfs/dbraw/zinc/91/98/39/938919839.db2.gz LXGUQBIMKXVDRW-UHFFFAOYSA-N 1 2 287.283 1.516 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226269360 941978287 /nfs/dbraw/zinc/97/82/87/941978287.db2.gz DWUGEGAQFINMRW-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226269360 941978288 /nfs/dbraw/zinc/97/82/88/941978288.db2.gz DWUGEGAQFINMRW-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[C@@H](C[NH+](C)C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097237 942131438 /nfs/dbraw/zinc/13/14/38/942131438.db2.gz XXDMNLDUBYTNPP-QMMMGPOBSA-N 1 2 292.295 1.573 20 5 CDBDLO CC[NH+]1CC(Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227216092 942151013 /nfs/dbraw/zinc/15/10/13/942151013.db2.gz PWEXBQRBLAYONC-UHFFFAOYSA-N 1 2 289.291 1.932 20 5 CDBDLO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972853 942401865 /nfs/dbraw/zinc/40/18/65/942401865.db2.gz FAIFROHDXXQKMC-QMMMGPOBSA-O 1 2 271.293 1.480 20 5 CDBDLO CC[N@@H+]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975304 942402273 /nfs/dbraw/zinc/40/22/73/942402273.db2.gz ZGXBJXGKHJMRCQ-JTQLQIEISA-N 1 2 282.296 1.869 20 5 CDBDLO CC[N@H+]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975304 942402275 /nfs/dbraw/zinc/40/22/75/942402275.db2.gz ZGXBJXGKHJMRCQ-JTQLQIEISA-N 1 2 282.296 1.869 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(CCO3)C1)C2 ZINC001254604631 947552800 /nfs/dbraw/zinc/55/28/00/947552800.db2.gz WZRYGBQLZLMXSB-CYBMUJFWSA-N 1 2 260.293 1.537 20 5 CDBDLO O=C(C[NH2+]CC[N+](=O)[O-])Nc1cc(Cl)ccc1Cl ZINC001335383921 959761391 /nfs/dbraw/zinc/76/13/91/959761391.db2.gz JGSMOQKFQYZABF-UHFFFAOYSA-N 1 2 292.122 1.798 20 5 CDBDLO COC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001338248736 961710383 /nfs/dbraw/zinc/71/03/83/961710383.db2.gz QWBRHGBJQWRNSM-UHFFFAOYSA-N 1 2 293.323 1.869 20 5 CDBDLO COC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001338248736 961710393 /nfs/dbraw/zinc/71/03/93/961710393.db2.gz QWBRHGBJQWRNSM-UHFFFAOYSA-N 1 2 293.323 1.869 20 5 CDBDLO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592292656 342683942 /nfs/dbraw/zinc/68/39/42/342683942.db2.gz GYLKEXZZPIGCCL-JTQLQIEISA-N 1 2 279.296 1.172 20 5 CDBDLO CO[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595308443 343032238 /nfs/dbraw/zinc/03/22/38/343032238.db2.gz OCRIWXHLAWCGKS-VIFPVBQESA-N 1 2 255.274 1.502 20 5 CDBDLO CO[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595308443 343032239 /nfs/dbraw/zinc/03/22/39/343032239.db2.gz OCRIWXHLAWCGKS-VIFPVBQESA-N 1 2 255.274 1.502 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(O)(CO)CC1 ZINC000595737038 343135940 /nfs/dbraw/zinc/13/59/40/343135940.db2.gz PMWJIBVDBDMTPI-UHFFFAOYSA-N 1 2 284.287 1.053 20 5 CDBDLO Nc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1[N+](=O)[O-] ZINC000596112903 343230284 /nfs/dbraw/zinc/23/02/84/343230284.db2.gz WLINABVNKUWCCD-SNVBAGLBSA-N 1 2 288.311 1.610 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCc3[nH+]c[nH]c3C2)s1 ZINC000596236907 343282592 /nfs/dbraw/zinc/28/25/92/343282592.db2.gz ORDCBIFGBPNJCY-UHFFFAOYSA-N 1 2 251.271 1.337 20 5 CDBDLO C[C@H](O)C1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000603410016 344805415 /nfs/dbraw/zinc/80/54/15/344805415.db2.gz NZCHSJHOBJZRGW-VIFPVBQESA-N 1 2 273.292 1.960 20 5 CDBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000007794864 345156190 /nfs/dbraw/zinc/15/61/90/345156190.db2.gz OJXWBHPUZXZUNM-UHFFFAOYSA-N 1 2 265.313 1.551 20 5 CDBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000007794864 345156191 /nfs/dbraw/zinc/15/61/91/345156191.db2.gz OJXWBHPUZXZUNM-UHFFFAOYSA-N 1 2 265.313 1.551 20 5 CDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610573449 346315747 /nfs/dbraw/zinc/31/57/47/346315747.db2.gz UGISVYOINYPBDU-UHFFFAOYSA-N 1 2 298.368 1.042 20 5 CDBDLO NC(=O)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000611254259 346721252 /nfs/dbraw/zinc/72/12/52/346721252.db2.gz GXOYVZOENDEACT-UHFFFAOYSA-N 1 2 293.323 1.530 20 5 CDBDLO NC(=O)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000611254259 346721255 /nfs/dbraw/zinc/72/12/55/346721255.db2.gz GXOYVZOENDEACT-UHFFFAOYSA-N 1 2 293.323 1.530 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CC(n2cc[nH+]c2)C1 ZINC000611413377 346780742 /nfs/dbraw/zinc/78/07/42/346780742.db2.gz MUDPQTWFCOIMIR-UHFFFAOYSA-N 1 2 250.283 1.914 20 5 CDBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000129784058 187453117 /nfs/dbraw/zinc/45/31/17/187453117.db2.gz ABQJDPCROCBOTJ-SNVBAGLBSA-N 1 2 284.316 1.063 20 5 CDBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000129784058 187453119 /nfs/dbraw/zinc/45/31/19/187453119.db2.gz ABQJDPCROCBOTJ-SNVBAGLBSA-N 1 2 284.316 1.063 20 5 CDBDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546037 351284978 /nfs/dbraw/zinc/28/49/78/351284978.db2.gz ITUPYWXLVXCKHL-NSHDSACASA-N 1 2 279.296 1.723 20 5 CDBDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546037 351284982 /nfs/dbraw/zinc/28/49/82/351284982.db2.gz ITUPYWXLVXCKHL-NSHDSACASA-N 1 2 279.296 1.723 20 5 CDBDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546037 351284984 /nfs/dbraw/zinc/28/49/84/351284984.db2.gz ITUPYWXLVXCKHL-NSHDSACASA-N 1 2 279.296 1.723 20 5 CDBDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546037 351284988 /nfs/dbraw/zinc/28/49/88/351284988.db2.gz ITUPYWXLVXCKHL-NSHDSACASA-N 1 2 279.296 1.723 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000037016417 363313332 /nfs/dbraw/zinc/31/33/32/363313332.db2.gz JCNYANGBTUBFPZ-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000070980541 357178220 /nfs/dbraw/zinc/17/82/20/357178220.db2.gz VURCCHQIMNJWMB-QPJJXVBHSA-N 1 2 286.291 1.990 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCn1cc[nH+]c1 ZINC000192697819 358228205 /nfs/dbraw/zinc/22/82/05/358228205.db2.gz LAXIXSCJURQVFX-UHFFFAOYSA-N 1 2 292.343 1.843 20 5 CDBDLO COC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000098142910 358664551 /nfs/dbraw/zinc/66/45/51/358664551.db2.gz KGOLEEOXZZADIH-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO COC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000098142910 358664555 /nfs/dbraw/zinc/66/45/55/358664555.db2.gz KGOLEEOXZZADIH-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO CC(=O)[C@@](C)(O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451049791 359029332 /nfs/dbraw/zinc/02/93/32/359029332.db2.gz OEDAAVKHVRMQNP-AWEZNQCLSA-N 1 2 294.307 1.129 20 5 CDBDLO CC(=O)[C@@](C)(O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451049791 359029338 /nfs/dbraw/zinc/02/93/38/359029338.db2.gz OEDAAVKHVRMQNP-AWEZNQCLSA-N 1 2 294.307 1.129 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450832954 359013101 /nfs/dbraw/zinc/01/31/01/359013101.db2.gz SDHFHDSQZGZQKW-SSDOTTSWSA-N 1 2 277.288 1.187 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1CCO ZINC000339098403 359288688 /nfs/dbraw/zinc/28/86/88/359288688.db2.gz CVQDIOVQCYRRQZ-NSHDSACASA-N 1 2 266.297 1.647 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000339098403 359288689 /nfs/dbraw/zinc/28/86/89/359288689.db2.gz CVQDIOVQCYRRQZ-NSHDSACASA-N 1 2 266.297 1.647 20 5 CDBDLO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[NH2+]1 ZINC000182076118 365068754 /nfs/dbraw/zinc/06/87/54/365068754.db2.gz GNBIHDMIYQDQGW-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000330890391 203357609 /nfs/dbraw/zinc/35/76/09/203357609.db2.gz HFHLZZKKRNFMBJ-LBPRGKRZSA-N 1 2 298.364 1.604 20 5 CDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000330890391 203357611 /nfs/dbraw/zinc/35/76/11/203357611.db2.gz HFHLZZKKRNFMBJ-LBPRGKRZSA-N 1 2 298.364 1.604 20 5 CDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1[nH]cc[nH+]1 ZINC000114339431 374305241 /nfs/dbraw/zinc/30/52/41/374305241.db2.gz CQEKJUOGPKLAQB-UHFFFAOYSA-N 1 2 290.279 1.403 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420958848 374308902 /nfs/dbraw/zinc/30/89/02/374308902.db2.gz POJHGOBDLDCDDP-LLVKDONJSA-N 1 2 279.296 1.011 20 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/nfs/dbraw/zinc/86/79/77/374867977.db2.gz KAZKGVDRCMWGIR-OLZOCXBDSA-N 1 2 293.367 1.998 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000492274156 253188759 /nfs/dbraw/zinc/18/87/59/253188759.db2.gz LNZWQBWLZRVIFC-BDAKNGLRSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000492274156 253188761 /nfs/dbraw/zinc/18/87/61/253188761.db2.gz LNZWQBWLZRVIFC-BDAKNGLRSA-N 1 2 286.715 1.176 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000523732864 390567460 /nfs/dbraw/zinc/56/74/60/390567460.db2.gz QAAAYZUWOYDXJI-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000523732864 390567466 /nfs/dbraw/zinc/56/74/66/390567466.db2.gz QAAAYZUWOYDXJI-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413144457 391165433 /nfs/dbraw/zinc/16/54/33/391165433.db2.gz PXDXZMDPAJTYOB-VIFPVBQESA-N 1 2 261.281 1.748 20 5 CDBDLO CO[C@@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@H]1OC ZINC000487997846 391943788 /nfs/dbraw/zinc/94/37/88/391943788.db2.gz GNSRNRUCTBEWTG-NXEZZACHSA-N 1 2 272.326 1.502 20 5 CDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000523442395 392887933 /nfs/dbraw/zinc/88/79/33/392887933.db2.gz CGURWPRQUXFZEF-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000523442395 392887939 /nfs/dbraw/zinc/88/79/39/392887939.db2.gz CGURWPRQUXFZEF-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO Nc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000530669491 393053907 /nfs/dbraw/zinc/05/39/07/393053907.db2.gz WQBSLWJYOIEBNQ-UHFFFAOYSA-N 1 2 287.279 1.071 20 5 CDBDLO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000449643601 393137397 /nfs/dbraw/zinc/13/73/97/393137397.db2.gz ILEXJDOOCUOCNY-ONGXEEELSA-N 1 2 293.323 1.548 20 5 CDBDLO O=[N+]([O-])c1cnn(Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000175937182 148013165 /nfs/dbraw/zinc/01/31/65/148013165.db2.gz PNTTWZGCQOZYIR-UHFFFAOYSA-N 1 2 270.252 1.420 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000305779069 149161853 /nfs/dbraw/zinc/16/18/53/149161853.db2.gz RJLDHOQRSZIBOW-JTQLQIEISA-N 1 2 278.230 1.950 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000305779069 149161854 /nfs/dbraw/zinc/16/18/54/149161854.db2.gz RJLDHOQRSZIBOW-JTQLQIEISA-N 1 2 278.230 1.950 20 5 CDBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1CC1 ZINC000343287615 152103730 /nfs/dbraw/zinc/10/37/30/152103730.db2.gz PEMIXNHRYAPKFM-VIFPVBQESA-N 1 2 289.299 1.094 20 5 CDBDLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344023414 152393671 /nfs/dbraw/zinc/39/36/71/152393671.db2.gz YFRMSLFBQISJQK-UHFFFAOYSA-N 1 2 281.293 1.302 20 5 CDBDLO COc1cccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000355798423 157241652 /nfs/dbraw/zinc/24/16/52/157241652.db2.gz XCVHEJPIUIEVFF-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1cccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000355798423 157241655 /nfs/dbraw/zinc/24/16/55/157241655.db2.gz XCVHEJPIUIEVFF-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nncn1C ZINC000152318279 289126541 /nfs/dbraw/zinc/12/65/41/289126541.db2.gz GXDSJDPZGIKOCR-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnccn2)CC1 ZINC000564421527 293354264 /nfs/dbraw/zinc/35/42/64/293354264.db2.gz DKOWSBXSINRURN-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274198754 304531012 /nfs/dbraw/zinc/53/10/12/304531012.db2.gz GMIRVQNDDHTDRS-CQSZACIVSA-N 1 2 291.307 1.126 20 5 CDBDLO CCOC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727266 520744792 /nfs/dbraw/zinc/74/47/92/520744792.db2.gz ATLPNMNTMWYRPS-UHFFFAOYSA-N 1 2 266.297 1.632 20 5 CDBDLO CCOC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727266 520744794 /nfs/dbraw/zinc/74/47/94/520744794.db2.gz ATLPNMNTMWYRPS-UHFFFAOYSA-N 1 2 266.297 1.632 20 5 CDBDLO CNc1c(C(=O)NCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000161472474 522540786 /nfs/dbraw/zinc/54/07/86/522540786.db2.gz RHHBLLROTYHYIR-UHFFFAOYSA-N 1 2 289.295 1.263 20 5 CDBDLO C[C@@H]1OCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000139239992 525567114 /nfs/dbraw/zinc/56/71/14/525567114.db2.gz VGVHHTHXSWEFLF-UWVGGRQHSA-N 1 2 293.323 1.303 20 5 CDBDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000139239992 525567126 /nfs/dbraw/zinc/56/71/26/525567126.db2.gz VGVHHTHXSWEFLF-UWVGGRQHSA-N 1 2 293.323 1.303 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000433749536 535323210 /nfs/dbraw/zinc/32/32/10/535323210.db2.gz FWLWOWJWBCJKIY-UHFFFAOYSA-N 1 2 278.272 1.094 20 5 CDBDLO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000746001321 576750009 /nfs/dbraw/zinc/75/00/09/576750009.db2.gz DRAVVBCMUXOXST-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000746001321 576750011 /nfs/dbraw/zinc/75/00/11/576750011.db2.gz DRAVVBCMUXOXST-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000746001321 576750012 /nfs/dbraw/zinc/75/00/12/576750012.db2.gz DRAVVBCMUXOXST-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000746001321 576750014 /nfs/dbraw/zinc/75/00/14/576750014.db2.gz DRAVVBCMUXOXST-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(N)c([N+](=O)[O-])c1 ZINC000747975604 576891105 /nfs/dbraw/zinc/89/11/05/576891105.db2.gz YVJIAEGUFKXWAJ-UHFFFAOYSA-N 1 2 275.268 1.139 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000747975604 576891106 /nfs/dbraw/zinc/89/11/06/576891106.db2.gz YVJIAEGUFKXWAJ-UHFFFAOYSA-N 1 2 275.268 1.139 20 5 CDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000748457258 576913650 /nfs/dbraw/zinc/91/36/50/576913650.db2.gz LQTYIJKXUPIPHT-CYBMUJFWSA-N 1 2 294.307 1.359 20 5 CDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000748457258 576913651 /nfs/dbraw/zinc/91/36/51/576913651.db2.gz LQTYIJKXUPIPHT-CYBMUJFWSA-N 1 2 294.307 1.359 20 5 CDBDLO CO[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000751940028 577076437 /nfs/dbraw/zinc/07/64/37/577076437.db2.gz MYMWDQCKXTZGRS-SNVBAGLBSA-N 1 2 254.290 1.086 20 5 CDBDLO CO[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000751940028 577076440 /nfs/dbraw/zinc/07/64/40/577076440.db2.gz MYMWDQCKXTZGRS-SNVBAGLBSA-N 1 2 254.290 1.086 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCNC1=O ZINC000801526080 621641849 /nfs/dbraw/zinc/64/18/49/621641849.db2.gz YWCJXPDDWLICFB-LLVKDONJSA-N 1 2 267.260 1.054 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCNC1=O ZINC000801526080 621641852 /nfs/dbraw/zinc/64/18/52/621641852.db2.gz YWCJXPDDWLICFB-LLVKDONJSA-N 1 2 267.260 1.054 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1cccnc1OC1CCCC1 ZINC000905034383 626377240 /nfs/dbraw/zinc/37/72/40/626377240.db2.gz JMTRKGQOCPJWGZ-UHFFFAOYSA-N 1 2 265.313 1.769 20 5 CDBDLO O=[N+]([O-])CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000905280519 626734923 /nfs/dbraw/zinc/73/49/23/626734923.db2.gz QTGSYYWBDPIPOC-MRVPVSSYSA-N 1 2 260.215 1.958 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000837325129 782301314 /nfs/dbraw/zinc/30/13/14/782301314.db2.gz MCAYMRJRXTUBGD-UHFFFAOYSA-N 1 2 281.293 1.789 20 5 CDBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnon3)CC2)n1 ZINC000851992855 783046702 /nfs/dbraw/zinc/04/67/02/783046702.db2.gz KJTIAWDQVBDXIM-UHFFFAOYSA-N 1 2 278.272 1.011 20 5 CDBDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029180664 780258831 /nfs/dbraw/zinc/25/88/31/780258831.db2.gz XHWIYHMJTJQIBB-OKILXGFUSA-N 1 2 289.335 1.790 20 5 CDBDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029180664 780258843 /nfs/dbraw/zinc/25/88/43/780258843.db2.gz XHWIYHMJTJQIBB-OKILXGFUSA-N 1 2 289.335 1.790 20 5 CDBDLO CC(C)[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000840093564 780829180 /nfs/dbraw/zinc/82/91/80/780829180.db2.gz AVICSFTYKDGGHI-GFCCVEGCSA-N 1 2 268.317 1.496 20 5 CDBDLO CC(C)[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000840093564 780829186 /nfs/dbraw/zinc/82/91/86/780829186.db2.gz AVICSFTYKDGGHI-GFCCVEGCSA-N 1 2 268.317 1.496 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000793744896 781075362 /nfs/dbraw/zinc/07/53/62/781075362.db2.gz RERVXFLXIUDNRN-GFCCVEGCSA-N 1 2 280.328 1.497 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000793744896 781075368 /nfs/dbraw/zinc/07/53/68/781075368.db2.gz RERVXFLXIUDNRN-GFCCVEGCSA-N 1 2 280.328 1.497 20 5 CDBDLO CC[NH2+]Cc1noc(Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000843142465 781386992 /nfs/dbraw/zinc/38/69/92/781386992.db2.gz ZGVUMFILKKDAMQ-UHFFFAOYSA-N 1 2 292.295 1.687 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)C(=O)C1 ZINC001173230608 912326820 /nfs/dbraw/zinc/32/68/20/912326820.db2.gz ZBUGMAZKMVAZOR-NSHDSACASA-N 1 2 277.324 1.300 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)C(=O)C1 ZINC001173230608 912326837 /nfs/dbraw/zinc/32/68/37/912326837.db2.gz ZBUGMAZKMVAZOR-NSHDSACASA-N 1 2 277.324 1.300 20 5 CDBDLO COc1ccnc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167612645 897035749 /nfs/dbraw/zinc/03/57/49/897035749.db2.gz DUWKAYUCZVQHGB-UHFFFAOYSA-N 1 2 275.268 1.588 20 5 CDBDLO O=C1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@H]1F ZINC001169005364 927607742 /nfs/dbraw/zinc/60/77/42/927607742.db2.gz BGTHAKKGLZTIBC-HBNTYKKESA-N 1 2 258.293 1.435 20 5 CDBDLO O=C1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@H]1F ZINC001169005364 927607747 /nfs/dbraw/zinc/60/77/47/927607747.db2.gz BGTHAKKGLZTIBC-HBNTYKKESA-N 1 2 258.293 1.435 20 5 CDBDLO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597415 927793625 /nfs/dbraw/zinc/79/36/25/927793625.db2.gz LFYKCLCWSOSTQL-CQSZACIVSA-N 1 2 293.367 1.654 20 5 CDBDLO CN1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597415 927793630 /nfs/dbraw/zinc/79/36/30/927793630.db2.gz LFYKCLCWSOSTQL-CQSZACIVSA-N 1 2 293.367 1.654 20 5 CDBDLO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]n1 ZINC001116827091 937474484 /nfs/dbraw/zinc/47/44/84/937474484.db2.gz QLDOFSSOXBNXID-UHFFFAOYSA-N 1 2 286.295 1.792 20 5 CDBDLO Cc1ncc([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)n1 ZINC001156757600 938415201 /nfs/dbraw/zinc/41/52/01/938415201.db2.gz XUPUOMSNIAJFFK-UHFFFAOYSA-N 1 2 260.257 1.283 20 5 CDBDLO Cc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001162228993 938965208 /nfs/dbraw/zinc/96/52/08/938965208.db2.gz MCVOGQDRSJQITI-UHFFFAOYSA-N 1 2 275.268 1.260 20 5 CDBDLO CO[C@@H]1CC[N@H+](CCOc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621025 941889815 /nfs/dbraw/zinc/88/98/15/941889815.db2.gz ZHIOEYZNEPWYQJ-SNVBAGLBSA-N 1 2 282.296 1.400 20 5 CDBDLO CO[C@@H]1CC[N@@H+](CCOc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621025 941889816 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C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069865345 374621239 /nfs/dbraw/zinc/62/12/39/374621239.db2.gz ALSVDGYAMFNZNS-JTQLQIEISA-N 1 2 286.353 1.460 20 5 CDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069865345 374621241 /nfs/dbraw/zinc/62/12/41/374621241.db2.gz ALSVDGYAMFNZNS-JTQLQIEISA-N 1 2 286.353 1.460 20 5 CDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000069863220 374621478 /nfs/dbraw/zinc/62/14/78/374621478.db2.gz NIKUIIWVFAJJNQ-SNVBAGLBSA-N 1 2 286.353 1.460 20 5 CDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000069863220 374621480 /nfs/dbraw/zinc/62/14/80/374621480.db2.gz NIKUIIWVFAJJNQ-SNVBAGLBSA-N 1 2 286.353 1.460 20 5 CDBDLO C[C@@H]1C[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330447179 374855445 /nfs/dbraw/zinc/85/54/45/374855445.db2.gz YFAGOMOZUUPVBQ-SNVBAGLBSA-N 1 2 265.313 1.436 20 5 CDBDLO C[C@@H]1C[N@@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330447179 374855451 /nfs/dbraw/zinc/85/54/51/374855451.db2.gz YFAGOMOZUUPVBQ-SNVBAGLBSA-N 1 2 265.313 1.436 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000282597780 375095197 /nfs/dbraw/zinc/09/51/97/375095197.db2.gz XQDDIRLXFATOJV-JQWIXIFHSA-N 1 2 298.314 1.970 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000282597780 375095202 /nfs/dbraw/zinc/09/52/02/375095202.db2.gz XQDDIRLXFATOJV-JQWIXIFHSA-N 1 2 298.314 1.970 20 5 CDBDLO Cc1c(C(=O)NCCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000058014571 375634651 /nfs/dbraw/zinc/63/46/51/375634651.db2.gz QFPZNOJRMKCJQJ-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000355257016 375785352 /nfs/dbraw/zinc/78/53/52/375785352.db2.gz SXCKKMWVIDGFJZ-UHFFFAOYSA-N 1 2 294.698 1.912 20 5 CDBDLO CCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1=O ZINC000428444449 247302354 /nfs/dbraw/zinc/30/23/54/247302354.db2.gz CCFVPVRBHCIJCW-GFCCVEGCSA-N 1 2 291.351 1.956 20 5 CDBDLO CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1=O ZINC000428444449 247302357 /nfs/dbraw/zinc/30/23/57/247302357.db2.gz CCFVPVRBHCIJCW-GFCCVEGCSA-N 1 2 291.351 1.956 20 5 CDBDLO COc1nccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000449381365 250828138 /nfs/dbraw/zinc/82/81/38/250828138.db2.gz YLLLXCKZWPMTKN-UHFFFAOYSA-N 1 2 280.309 1.745 20 5 CDBDLO O=CN1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000297799372 285029213 /nfs/dbraw/zinc/02/92/13/285029213.db2.gz XHCLIQXUQKAWLG-UHFFFAOYSA-N 1 2 297.742 1.912 20 5 CDBDLO O=CN1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000297799372 285029215 /nfs/dbraw/zinc/02/92/15/285029215.db2.gz XHCLIQXUQKAWLG-UHFFFAOYSA-N 1 2 297.742 1.912 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000280868351 195008252 /nfs/dbraw/zinc/00/82/52/195008252.db2.gz ZJFVJQJOVSVEMI-JTQLQIEISA-N 1 2 282.296 1.467 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000280868351 195008255 /nfs/dbraw/zinc/00/82/55/195008255.db2.gz ZJFVJQJOVSVEMI-JTQLQIEISA-N 1 2 282.296 1.467 20 5 CDBDLO COc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000492861972 253311711 /nfs/dbraw/zinc/31/17/11/253311711.db2.gz KGWCUZFNUNBLHC-HWKANZROSA-N 1 2 288.263 1.978 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1N1CCn3c[nH+]cc3C1)CCN2 ZINC000290602268 285146236 /nfs/dbraw/zinc/14/62/36/285146236.db2.gz DXUAPHNGSXNNQG-UHFFFAOYSA-N 1 2 285.307 1.780 20 5 CDBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH+]1 ZINC000505229884 254084476 /nfs/dbraw/zinc/08/44/76/254084476.db2.gz LCSAPOCCIOMQSW-UHFFFAOYSA-N 1 2 286.251 1.755 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000373395422 285173081 /nfs/dbraw/zinc/17/30/81/285173081.db2.gz UXBURZIUWCURMB-SECBINFHSA-N 1 2 260.257 1.449 20 5 CDBDLO CCc1nc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000531105854 390571825 /nfs/dbraw/zinc/57/18/25/390571825.db2.gz WEHXVZLJVAGICH-UHFFFAOYSA-N 1 2 295.368 1.942 20 5 CDBDLO CCc1nc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000531105854 390571830 /nfs/dbraw/zinc/57/18/30/390571830.db2.gz WEHXVZLJVAGICH-UHFFFAOYSA-N 1 2 295.368 1.942 20 5 CDBDLO CO[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413327598 391199608 /nfs/dbraw/zinc/19/96/08/391199608.db2.gz XPWPUXDLFVVVNZ-CHWSQXEVSA-N 1 2 289.291 1.339 20 5 CDBDLO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262048743 131186583 /nfs/dbraw/zinc/18/65/83/131186583.db2.gz HCHLYZCMGPFMAF-UWVGGRQHSA-N 1 2 279.296 1.158 20 5 CDBDLO CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000442807127 392497902 /nfs/dbraw/zinc/49/79/02/392497902.db2.gz DDPDBJYDAQGBBC-NSHDSACASA-N 1 2 290.279 1.905 20 5 CDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000523689961 392890912 /nfs/dbraw/zinc/89/09/12/392890912.db2.gz IMZLXRLMIXJQMQ-UHFFFAOYSA-N 1 2 290.254 1.628 20 5 CDBDLO CCNC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194475 393091642 /nfs/dbraw/zinc/09/16/42/393091642.db2.gz JKEANDDSTDXBQM-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194475 393091648 /nfs/dbraw/zinc/09/16/48/393091648.db2.gz JKEANDDSTDXBQM-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CC(C)(C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606848 146941088 /nfs/dbraw/zinc/94/10/88/146941088.db2.gz SXMKHJYVXCWZQF-UHFFFAOYSA-N 1 2 291.351 1.868 20 5 CDBDLO CC(C)(C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606848 146941090 /nfs/dbraw/zinc/94/10/90/146941090.db2.gz SXMKHJYVXCWZQF-UHFFFAOYSA-N 1 2 291.351 1.868 20 5 CDBDLO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262024186 149003289 /nfs/dbraw/zinc/00/32/89/149003289.db2.gz ATLBNNKXMZUDLV-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343744319 152287522 /nfs/dbraw/zinc/28/75/22/152287522.db2.gz QQBJYWJZAABIAO-UHFFFAOYSA-N 1 2 275.268 1.650 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2[nH+]ccn2C)n1 ZINC000359080664 158120540 /nfs/dbraw/zinc/12/05/40/158120540.db2.gz GQVXJDYAQQBQRT-UHFFFAOYSA-N 1 2 261.285 1.952 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2ncc(C)cc2[N+](=O)[O-])CCO1 ZINC000362681481 159212356 /nfs/dbraw/zinc/21/23/56/159212356.db2.gz PWAJRHOIFJVPIS-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2ncc(C)cc2[N+](=O)[O-])CCO1 ZINC000362681481 159212357 /nfs/dbraw/zinc/21/23/57/159212357.db2.gz PWAJRHOIFJVPIS-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1nonc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285217936 196223450 /nfs/dbraw/zinc/22/34/50/196223450.db2.gz FCEGSDSYCKPBBU-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1nonc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285217936 196223452 /nfs/dbraw/zinc/22/34/52/196223452.db2.gz FCEGSDSYCKPBBU-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000071012084 176020790 /nfs/dbraw/zinc/02/07/90/176020790.db2.gz YXRFFTMSDKKTHC-GFCCVEGCSA-N 1 2 298.364 1.604 20 5 CDBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000071012084 176020791 /nfs/dbraw/zinc/02/07/91/176020791.db2.gz YXRFFTMSDKKTHC-GFCCVEGCSA-N 1 2 298.364 1.604 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399884329 270375735 /nfs/dbraw/zinc/37/57/35/270375735.db2.gz FWNOZIKVINBBFE-VIFPVBQESA-N 1 2 286.715 1.441 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399884329 270375738 /nfs/dbraw/zinc/37/57/38/270375738.db2.gz FWNOZIKVINBBFE-VIFPVBQESA-N 1 2 286.715 1.441 20 5 CDBDLO CCOC(=O)C[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000195202665 280074431 /nfs/dbraw/zinc/07/44/31/280074431.db2.gz GIYGJQHLBFYRDE-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO CCOC(=O)C[N@@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000195202665 280074433 /nfs/dbraw/zinc/07/44/33/280074433.db2.gz GIYGJQHLBFYRDE-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076419414 280231591 /nfs/dbraw/zinc/23/15/91/280231591.db2.gz ORCYMIAEECFGTD-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076419414 280231592 /nfs/dbraw/zinc/23/15/92/280231592.db2.gz ORCYMIAEECFGTD-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO COC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255380480 289369409 /nfs/dbraw/zinc/36/94/09/289369409.db2.gz SAILOYGNGXOQRB-ALCCZGGFSA-N 1 2 264.281 1.713 20 5 CDBDLO COC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255380480 289369410 /nfs/dbraw/zinc/36/94/10/289369410.db2.gz SAILOYGNGXOQRB-ALCCZGGFSA-N 1 2 264.281 1.713 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268491013 290268060 /nfs/dbraw/zinc/26/80/60/290268060.db2.gz VCFKQWLLIKOMNI-BREBYQMCSA-N 1 2 293.323 1.230 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268491013 290268062 /nfs/dbraw/zinc/26/80/62/290268062.db2.gz VCFKQWLLIKOMNI-BREBYQMCSA-N 1 2 293.323 1.230 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000561984089 293108890 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C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000339188793 523181987 /nfs/dbraw/zinc/18/19/87/523181987.db2.gz MBBKHDNVUUARDG-NSHDSACASA-N 1 2 266.297 1.911 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000339188793 523181998 /nfs/dbraw/zinc/18/19/98/523181998.db2.gz MBBKHDNVUUARDG-NSHDSACASA-N 1 2 266.297 1.911 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078477183 523592138 /nfs/dbraw/zinc/59/21/38/523592138.db2.gz PHQVAIPISNANFA-UHFFFAOYSA-N 1 2 288.307 1.529 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000905852602 627022685 /nfs/dbraw/zinc/02/26/85/627022685.db2.gz JQJIHMHQJPDGCV-BDAKNGLRSA-N 1 2 276.300 1.530 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc([N+](=O)[O-])cc1 ZINC001174476032 913184564 /nfs/dbraw/zinc/18/45/64/913184564.db2.gz XZDRNMGAZHFSFQ-UHFFFAOYSA-N 1 2 276.252 1.539 20 5 CDBDLO Cc1nc(N2CCC(n3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC001167125611 894658004 /nfs/dbraw/zinc/65/80/04/894658004.db2.gz 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C[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000058505736 348862376 /nfs/dbraw/zinc/86/23/76/348862376.db2.gz GZEPGLSYWILRND-UHFFFAOYSA-N 1 2 278.268 1.069 20 5 CDBDLO COCC[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000136237276 362949283 /nfs/dbraw/zinc/94/92/83/362949283.db2.gz CXRNPGDBUYDZTM-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO COCC[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000136237276 362949286 /nfs/dbraw/zinc/94/92/86/362949286.db2.gz CXRNPGDBUYDZTM-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO Cc1cc(NCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000092026746 180308893 /nfs/dbraw/zinc/30/88/93/180308893.db2.gz RPKXXONENKGBDN-UHFFFAOYSA-N 1 2 261.285 1.997 20 5 CDBDLO C[N@H+](CCn1cccn1)Cc1csc([N+](=O)[O-])c1 ZINC000111279691 186388335 /nfs/dbraw/zinc/38/83/35/186388335.db2.gz RGWKIUWAYLFFML-UHFFFAOYSA-N 1 2 266.326 1.985 20 5 CDBDLO C[N@@H+](CCn1cccn1)Cc1csc([N+](=O)[O-])c1 ZINC000111279691 186388337 /nfs/dbraw/zinc/38/83/37/186388337.db2.gz RGWKIUWAYLFFML-UHFFFAOYSA-N 1 2 266.326 1.985 20 5 CDBDLO C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267867912 363079298 /nfs/dbraw/zinc/07/92/98/363079298.db2.gz BYRLVAGOBBMEPP-UHFFFAOYSA-N 1 2 287.703 1.111 20 5 CDBDLO C[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267867912 363079301 /nfs/dbraw/zinc/07/93/01/363079301.db2.gz BYRLVAGOBBMEPP-UHFFFAOYSA-N 1 2 287.703 1.111 20 5 CDBDLO O=[N+]([O-])c1cnc(NCCCn2cc[nH+]c2)c(F)c1 ZINC000413025276 363189210 /nfs/dbraw/zinc/18/92/10/363189210.db2.gz PVOKRLKTOLIOHL-UHFFFAOYSA-N 1 2 265.248 1.828 20 5 CDBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000154170077 188126830 /nfs/dbraw/zinc/12/68/30/188126830.db2.gz GBPKETTXMLAUJJ-UHFFFAOYSA-N 1 2 286.353 1.461 20 5 CDBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000154170077 188126832 /nfs/dbraw/zinc/12/68/32/188126832.db2.gz GBPKETTXMLAUJJ-UHFFFAOYSA-N 1 2 286.353 1.461 20 5 CDBDLO COc1cc[nH+]cc1Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000341401214 357252706 /nfs/dbraw/zinc/25/27/06/357252706.db2.gz 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358660327 /nfs/dbraw/zinc/66/03/27/358660327.db2.gz FRELYJDNPCKNGK-UHFFFAOYSA-N 1 2 268.313 1.751 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)CO ZINC000449418857 358660328 /nfs/dbraw/zinc/66/03/28/358660328.db2.gz FRELYJDNPCKNGK-UHFFFAOYSA-N 1 2 268.313 1.751 20 5 CDBDLO CCC(CC)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000338379981 359126040 /nfs/dbraw/zinc/12/60/40/359126040.db2.gz QLSIZOMPAAGHJC-UHFFFAOYSA-N 1 2 284.316 1.113 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050048682 359284765 /nfs/dbraw/zinc/28/47/65/359284765.db2.gz HVYOWWNFCJNZAW-LBPRGKRZSA-N 1 2 264.281 1.732 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050048682 359284767 /nfs/dbraw/zinc/28/47/67/359284767.db2.gz HVYOWWNFCJNZAW-LBPRGKRZSA-N 1 2 264.281 1.732 20 5 CDBDLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c(F)cc1[N+](=O)[O-] ZINC000292640994 239270326 /nfs/dbraw/zinc/27/03/26/239270326.db2.gz OSLDVOSXNOGXIK-NSHDSACASA-N 1 2 294.330 1.454 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000367604135 364001302 /nfs/dbraw/zinc/00/13/02/364001302.db2.gz RTKJVABBQVQHHJ-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000367604135 364001304 /nfs/dbraw/zinc/00/13/04/364001304.db2.gz RTKJVABBQVQHHJ-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356544733 372938321 /nfs/dbraw/zinc/93/83/21/372938321.db2.gz FYJFEZWLRDMDOM-VIFPVBQESA-N 1 2 279.296 1.077 20 5 CDBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356544733 372938326 /nfs/dbraw/zinc/93/83/26/372938326.db2.gz FYJFEZWLRDMDOM-VIFPVBQESA-N 1 2 279.296 1.077 20 5 CDBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066498542 374338796 /nfs/dbraw/zinc/33/87/96/374338796.db2.gz QLIQGSRZZUOUTD-CYBMUJFWSA-N 1 2 277.324 1.551 20 5 CDBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066498542 374338798 /nfs/dbraw/zinc/33/87/98/374338798.db2.gz QLIQGSRZZUOUTD-CYBMUJFWSA-N 1 2 277.324 1.551 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080526823 374469975 /nfs/dbraw/zinc/46/99/75/374469975.db2.gz DLOOAGWKZDALHH-UHFFFAOYSA-N 1 2 275.268 1.982 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000330423564 374851978 /nfs/dbraw/zinc/85/19/78/374851978.db2.gz IGHOHQNRXLLBQG-LLVKDONJSA-N 1 2 252.270 1.257 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000330423564 374851983 /nfs/dbraw/zinc/85/19/83/374851983.db2.gz IGHOHQNRXLLBQG-LLVKDONJSA-N 1 2 252.270 1.257 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1NCc1cn2ccccc2[nH+]1 ZINC000029842818 375505259 /nfs/dbraw/zinc/50/52/59/375505259.db2.gz QSLJGJULKGOGJK-UHFFFAOYSA-N 1 2 272.268 1.588 20 5 CDBDLO C[C@@H](CO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353382865 375603854 /nfs/dbraw/zinc/60/38/54/375603854.db2.gz DADYXDAKLYIFGR-GWCFXTLKSA-N 1 2 290.323 1.388 20 5 CDBDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296513592 376323294 /nfs/dbraw/zinc/32/32/94/376323294.db2.gz ZZKIRCCGXBXHIF-SNVBAGLBSA-N 1 2 295.364 1.971 20 5 CDBDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296513592 376323296 /nfs/dbraw/zinc/32/32/96/376323296.db2.gz ZZKIRCCGXBXHIF-SNVBAGLBSA-N 1 2 295.364 1.971 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCSCC1 ZINC000330587197 285137445 /nfs/dbraw/zinc/13/74/45/285137445.db2.gz VRFLGLJWUBMUNR-UHFFFAOYSA-N 1 2 254.311 1.849 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000270460413 285220712 /nfs/dbraw/zinc/22/07/12/285220712.db2.gz AAZIHVQEHDRTPQ-CHWSQXEVSA-N 1 2 293.323 1.010 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000270460413 285220721 /nfs/dbraw/zinc/22/07/21/285220721.db2.gz AAZIHVQEHDRTPQ-CHWSQXEVSA-N 1 2 293.323 1.010 20 5 CDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000151617200 391536470 /nfs/dbraw/zinc/53/64/70/391536470.db2.gz 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ZINC000331444644 393148562 /nfs/dbraw/zinc/14/85/62/393148562.db2.gz WKZQVLSFGMTVDS-JTQLQIEISA-N 1 2 291.311 1.962 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493803636 393222156 /nfs/dbraw/zinc/22/21/56/393222156.db2.gz PPFNUHRHPBYNEE-QPJJXVBHSA-N 1 2 286.291 1.658 20 5 CDBDLO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232492206 140223728 /nfs/dbraw/zinc/22/37/28/140223728.db2.gz AMOQLJQCXAALNV-SNVBAGLBSA-N 1 2 267.285 1.612 20 5 CDBDLO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000236193506 140239017 /nfs/dbraw/zinc/23/90/17/140239017.db2.gz INKSUJCCUKMQQH-UHFFFAOYSA-N 1 2 251.242 1.120 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCSCC1 ZINC000103468556 147179648 /nfs/dbraw/zinc/17/96/48/147179648.db2.gz PBUOWHVBZUGQEP-UHFFFAOYSA-N 1 2 295.364 1.891 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000346565708 153229434 /nfs/dbraw/zinc/22/94/34/153229434.db2.gz JQTLMRUCAGLMQX-UHFFFAOYSA-N 1 2 289.295 1.388 20 5 CDBDLO Cc1cnc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000373219473 160183010 /nfs/dbraw/zinc/18/30/10/160183010.db2.gz VCHNVHGPIXFAFJ-TXEJJXNPSA-N 1 2 293.323 1.540 20 5 CDBDLO Cc1cnc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000373219473 160183011 /nfs/dbraw/zinc/18/30/11/160183011.db2.gz VCHNVHGPIXFAFJ-TXEJJXNPSA-N 1 2 293.323 1.540 20 5 CDBDLO CC(C)[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1[nH]cc[nH+]1 ZINC000285554940 196325655 /nfs/dbraw/zinc/32/56/55/196325655.db2.gz IUXMHCLVKJBRPZ-QMMMGPOBSA-N 1 2 277.288 1.499 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[NH+]2CC(C(F)(F)F)C2)n1 ZINC000556218881 290259459 /nfs/dbraw/zinc/25/94/59/290259459.db2.gz PCVGCZXMFLUUCR-UHFFFAOYSA-N 1 2 264.207 1.285 20 5 CDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000436965736 297281900 /nfs/dbraw/zinc/28/19/00/297281900.db2.gz KDQXFQJGOMHFMV-ZJUUUORDSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000436965736 297281902 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O=[N+]([O-])c1ccnn1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738158656 576045004 /nfs/dbraw/zinc/04/50/04/576045004.db2.gz OOLSYFRMDUFKPT-NSHDSACASA-N 1 2 276.300 1.282 20 5 CDBDLO C[S@@](=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000741748960 576570811 /nfs/dbraw/zinc/57/08/11/576570811.db2.gz LCVVWNDBDGYILC-HXUWFJFHSA-N 1 2 297.380 1.095 20 5 CDBDLO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000763288452 576729187 /nfs/dbraw/zinc/72/91/87/576729187.db2.gz OCNYCJCXRSWHIS-UHFFFAOYSA-N 1 2 265.225 1.631 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)C1CC1 ZINC000763435990 576736948 /nfs/dbraw/zinc/73/69/48/576736948.db2.gz YRJBMMZMKYYBSI-NSHDSACASA-N 1 2 252.270 1.161 20 5 CDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000759156015 577155933 /nfs/dbraw/zinc/15/59/33/577155933.db2.gz BBVKFIQYOGSZLP-LBPRGKRZSA-N 1 2 290.327 1.628 20 5 CDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000759156015 577155935 /nfs/dbraw/zinc/15/59/35/577155935.db2.gz BBVKFIQYOGSZLP-LBPRGKRZSA-N 1 2 290.327 1.628 20 5 CDBDLO Cc1cc(CNc2c([N+](=O)[O-])cnn2C)cc(C)[nH+]1 ZINC000894238002 618743228 /nfs/dbraw/zinc/74/32/28/618743228.db2.gz FBSUBRLODIUXAF-UHFFFAOYSA-N 1 2 261.285 1.952 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000793256797 1162406753 /nfs/dbraw/zinc/40/67/53/1162406753.db2.gz CQRJTXRCFBUORF-UHFFFAOYSA-N 1 2 293.254 1.867 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000789737382 784078326 /nfs/dbraw/zinc/07/83/26/784078326.db2.gz CWQBUYNWJGZOQZ-TXEJJXNPSA-N 1 2 296.298 1.976 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000789737382 784078328 /nfs/dbraw/zinc/07/83/28/784078328.db2.gz CWQBUYNWJGZOQZ-TXEJJXNPSA-N 1 2 296.298 1.976 20 5 CDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853579591 785323044 /nfs/dbraw/zinc/32/30/44/785323044.db2.gz ZRYCCDRSSUAGIL-NXEZZACHSA-N 1 2 289.291 1.802 20 5 CDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853579591 785323050 /nfs/dbraw/zinc/32/30/50/785323050.db2.gz ZRYCCDRSSUAGIL-NXEZZACHSA-N 1 2 289.291 1.802 20 5 CDBDLO COC(=O)c1cnc(C2CC[NH+](CC[N+](=O)[O-])CC2)s1 ZINC000931173723 789058857 /nfs/dbraw/zinc/05/88/57/789058857.db2.gz MKJNEZRIPBKDJG-UHFFFAOYSA-N 1 2 299.352 1.386 20 5 CDBDLO COC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000112961933 789500361 /nfs/dbraw/zinc/50/03/61/789500361.db2.gz YSNKFYJRRMQSEL-JTQLQIEISA-N 1 2 254.290 1.107 20 5 CDBDLO COC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000112961933 789500376 /nfs/dbraw/zinc/50/03/76/789500376.db2.gz YSNKFYJRRMQSEL-JTQLQIEISA-N 1 2 254.290 1.107 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001173233649 912327623 /nfs/dbraw/zinc/32/76/23/912327623.db2.gz XROXRFNYUXURRC-NEPJUHHUSA-N 1 2 291.351 1.688 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001173233649 912327644 /nfs/dbraw/zinc/32/76/44/912327644.db2.gz XROXRFNYUXURRC-NEPJUHHUSA-N 1 2 291.351 1.688 20 5 CDBDLO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CO)C1 ZINC000699456208 913821155 /nfs/dbraw/zinc/82/11/55/913821155.db2.gz AZZKNRMGLICJAL-SNVBAGLBSA-N 1 2 285.731 1.361 20 5 CDBDLO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CO)C1 ZINC000699456208 913821162 /nfs/dbraw/zinc/82/11/62/913821162.db2.gz AZZKNRMGLICJAL-SNVBAGLBSA-N 1 2 285.731 1.361 20 5 CDBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000840149700 936940453 /nfs/dbraw/zinc/94/04/53/936940453.db2.gz JZIKRWDJXLTVBQ-PWSUYJOCSA-N 1 2 280.328 1.414 20 5 CDBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000840149700 936940454 /nfs/dbraw/zinc/94/04/54/936940454.db2.gz JZIKRWDJXLTVBQ-PWSUYJOCSA-N 1 2 280.328 1.414 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006184 927608089 /nfs/dbraw/zinc/60/80/89/927608089.db2.gz FVRDRICHVGJROK-GUBZILKMSA-N 1 2 264.272 1.134 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006184 927608101 /nfs/dbraw/zinc/60/81/01/927608101.db2.gz FVRDRICHVGJROK-GUBZILKMSA-N 1 2 264.272 1.134 20 5 CDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001169651670 928283560 /nfs/dbraw/zinc/28/35/60/928283560.db2.gz RZOFADLFHZIJHX-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001169651670 928283566 /nfs/dbraw/zinc/28/35/66/928283566.db2.gz RZOFADLFHZIJHX-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972852 942401400 /nfs/dbraw/zinc/40/14/00/942401400.db2.gz FAIFROHDXXQKMC-MRVPVSSYSA-O 1 2 271.293 1.480 20 5 CDBDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233701916 943643668 /nfs/dbraw/zinc/64/36/68/943643668.db2.gz HMHXGXJGYYATLE-UHFFFAOYSA-N 1 2 281.268 1.974 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2cnnc2C1 ZINC001254549908 947522630 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O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000590552440 342576388 /nfs/dbraw/zinc/57/63/88/342576388.db2.gz KXGOXDVXLIKGDX-UHFFFAOYSA-N 1 2 286.291 1.445 20 5 CDBDLO CN1C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CCC1=O ZINC000593993380 342861528 /nfs/dbraw/zinc/86/15/28/342861528.db2.gz XWJIPIPZURBEJJ-SNVBAGLBSA-N 1 2 295.314 1.787 20 5 CDBDLO CN1C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CCC1=O ZINC000593993380 342861529 /nfs/dbraw/zinc/86/15/29/342861529.db2.gz XWJIPIPZURBEJJ-SNVBAGLBSA-N 1 2 295.314 1.787 20 5 CDBDLO Cc1noc(C[NH2+][C@@](C)(CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595312955 343033400 /nfs/dbraw/zinc/03/34/00/343033400.db2.gz QBIHYEVOFKHTKH-AWEZNQCLSA-N 1 2 291.307 1.889 20 5 CDBDLO CC1(C)C[C@H]([N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CO1 ZINC000595422147 343055516 /nfs/dbraw/zinc/05/55/16/343055516.db2.gz GQHWINPVOJQSAH-LBPRGKRZSA-N 1 2 277.324 1.915 20 5 CDBDLO CC1(C)C[C@H]([N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CO1 ZINC000595422147 343055518 /nfs/dbraw/zinc/05/55/18/343055518.db2.gz GQHWINPVOJQSAH-LBPRGKRZSA-N 1 2 277.324 1.915 20 5 CDBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595467566 343071815 /nfs/dbraw/zinc/07/18/15/343071815.db2.gz NCBFFLBRVBAXTJ-ZJUUUORDSA-N 1 2 285.300 1.175 20 5 CDBDLO CC(CO)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596244288 343285671 /nfs/dbraw/zinc/28/56/71/343285671.db2.gz NZQAEWZWWKHCNN-UHFFFAOYSA-N 1 2 291.307 1.546 20 5 CDBDLO Cc1cc(SCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000090069710 342393659 /nfs/dbraw/zinc/39/36/59/342393659.db2.gz QKVHSRZVMYJOCG-UHFFFAOYSA-N 1 2 283.353 1.723 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1[nH]cc[nH+]1 ZINC000140856138 346958589 /nfs/dbraw/zinc/95/85/89/346958589.db2.gz URJKPONNBZFMPA-SSDOTTSWSA-N 1 2 263.257 1.147 20 5 CDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](O)C1 ZINC000599041044 343943677 /nfs/dbraw/zinc/94/36/77/343943677.db2.gz RIGCQJKELAWYBP-SNVBAGLBSA-N 1 2 259.265 1.714 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC[C@H]1COCC[N@H+]1C ZINC000599160770 343970895 /nfs/dbraw/zinc/97/08/95/343970895.db2.gz NAGPCLQZWYNTKG-NSHDSACASA-N 1 2 265.313 1.646 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC[C@H]1COCC[N@@H+]1C ZINC000599160770 343970897 /nfs/dbraw/zinc/97/08/97/343970897.db2.gz NAGPCLQZWYNTKG-NSHDSACASA-N 1 2 265.313 1.646 20 5 CDBDLO Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000043148382 344235308 /nfs/dbraw/zinc/23/53/08/344235308.db2.gz ZQIMMIDNIYFTOI-UHFFFAOYSA-N 1 2 289.295 1.921 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000602770580 344575663 /nfs/dbraw/zinc/57/56/63/344575663.db2.gz UQMOQTADGVKRBE-UHFFFAOYSA-N 1 2 298.343 1.373 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000602770580 344575665 /nfs/dbraw/zinc/57/56/65/344575665.db2.gz UQMOQTADGVKRBE-UHFFFAOYSA-N 1 2 298.343 1.373 20 5 CDBDLO C[C@@H](O)C1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000603410015 344805427 /nfs/dbraw/zinc/80/54/27/344805427.db2.gz NZCHSJHOBJZRGW-SECBINFHSA-N 1 2 273.292 1.960 20 5 CDBDLO COc1cc(NC[C@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000159863935 362544891 /nfs/dbraw/zinc/54/48/91/362544891.db2.gz MVSLUVKNQIDHGD-VIFPVBQESA-N 1 2 299.302 1.485 20 5 CDBDLO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000159863935 362544896 /nfs/dbraw/zinc/54/48/96/362544896.db2.gz MVSLUVKNQIDHGD-VIFPVBQESA-N 1 2 299.302 1.485 20 5 CDBDLO Cc1nn(C)c(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000051282821 345106484 /nfs/dbraw/zinc/10/64/84/345106484.db2.gz XWVUPKGPYWDHLW-UHFFFAOYSA-N 1 2 286.295 1.897 20 5 CDBDLO CO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091772211 345622460 /nfs/dbraw/zinc/62/24/60/345622460.db2.gz IHIPAHMSBVINQL-GFCCVEGCSA-N 1 2 266.297 1.911 20 5 CDBDLO CO[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091772211 345622462 /nfs/dbraw/zinc/62/24/62/345622462.db2.gz IHIPAHMSBVINQL-GFCCVEGCSA-N 1 2 266.297 1.911 20 5 CDBDLO CCc1nn(C)c(NCC[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000611281119 346735083 /nfs/dbraw/zinc/73/50/83/346735083.db2.gz YOGUCXDBPGXMMK-SNVBAGLBSA-N 1 2 297.359 1.023 20 5 CDBDLO CCc1nn(C)c(NCC[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000611281119 346735087 /nfs/dbraw/zinc/73/50/87/346735087.db2.gz YOGUCXDBPGXMMK-SNVBAGLBSA-N 1 2 297.359 1.023 20 5 CDBDLO CCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000404464753 347162614 /nfs/dbraw/zinc/16/26/14/347162614.db2.gz UZBAMMYJUBTOOK-UHFFFAOYSA-N 1 2 261.285 1.496 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000128911274 187398530 /nfs/dbraw/zinc/39/85/30/187398530.db2.gz DLGKSQYXMDRFGE-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000104919602 186031431 /nfs/dbraw/zinc/03/14/31/186031431.db2.gz RVBYVHASBNHBIQ-JTQLQIEISA-N 1 2 293.323 1.324 20 5 CDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000157496957 188320936 /nfs/dbraw/zinc/32/09/36/188320936.db2.gz WRSFOTFMVMVMIU-UHFFFAOYSA-N 1 2 297.330 1.938 20 5 CDBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000157496957 188320938 /nfs/dbraw/zinc/32/09/38/188320938.db2.gz WRSFOTFMVMVMIU-UHFFFAOYSA-N 1 2 297.330 1.938 20 5 CDBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000037016412 363313719 /nfs/dbraw/zinc/31/37/19/363313719.db2.gz IPAUFKBKZDAJSR-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000164868097 356305592 /nfs/dbraw/zinc/30/55/92/356305592.db2.gz CFLHABTTXNZMSO-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000164868097 356305598 /nfs/dbraw/zinc/30/55/98/356305598.db2.gz CFLHABTTXNZMSO-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC12CC[NH2+]CC2 ZINC000236582936 295929423 /nfs/dbraw/zinc/92/94/23/295929423.db2.gz SGKMGPQBFWSASZ-SNVBAGLBSA-N 1 2 291.307 1.629 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1Cl ZINC000186514534 357657404 /nfs/dbraw/zinc/65/74/04/357657404.db2.gz JCBYUQALCZKRDP-UWVGGRQHSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1Cl ZINC000186514534 357657410 /nfs/dbraw/zinc/65/74/10/357657410.db2.gz JCBYUQALCZKRDP-UWVGGRQHSA-N 1 2 286.715 1.176 20 5 CDBDLO CC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189461604 358014151 /nfs/dbraw/zinc/01/41/51/358014151.db2.gz SVTNRXCBFJXVCG-LLVKDONJSA-N 1 2 266.297 1.429 20 5 CDBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCOC1 ZINC000361425083 358177344 /nfs/dbraw/zinc/17/73/44/358177344.db2.gz CUGWZAUCPPQMPV-SNVBAGLBSA-N 1 2 268.317 1.328 20 5 CDBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCOC1 ZINC000361425083 358177347 /nfs/dbraw/zinc/17/73/47/358177347.db2.gz CUGWZAUCPPQMPV-SNVBAGLBSA-N 1 2 268.317 1.328 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000294834828 199203762 /nfs/dbraw/zinc/20/37/62/199203762.db2.gz QJAGAUUEDFKGGO-UHFFFAOYSA-N 1 2 273.296 1.880 20 5 CDBDLO O=[N+]([O-])c1cnc(NCC[NH+]2CCSCC2)s1 ZINC000230940607 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/nfs/dbraw/zinc/56/60/60/374566060.db2.gz SVRZSMJKBZLSIY-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000124597990 374825489 /nfs/dbraw/zinc/82/54/89/374825489.db2.gz TWBTVHGJOUVEMD-UHFFFAOYSA-N 1 2 278.243 1.430 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277171338 374776897 /nfs/dbraw/zinc/77/68/97/374776897.db2.gz KTWWHHXUVJVSGP-WLRWDXFRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277171338 374776899 /nfs/dbraw/zinc/77/68/99/374776899.db2.gz KTWWHHXUVJVSGP-WLRWDXFRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283459373 375114543 /nfs/dbraw/zinc/11/45/43/375114543.db2.gz FFHCKYJLVNAUGX-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO O=[N+]([O-])c1cnc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000354595039 375729296 /nfs/dbraw/zinc/72/92/96/375729296.db2.gz FHYKNSSTEVVWKR-UHFFFAOYSA-N 1 2 296.290 1.605 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347417158 376126385 /nfs/dbraw/zinc/12/63/85/376126385.db2.gz WAXLWKGZBXOCIA-UHFFFAOYSA-N 1 2 284.279 1.898 20 5 CDBDLO COc1c(C(=O)NC2C[NH+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457717725 252511186 /nfs/dbraw/zinc/51/11/86/252511186.db2.gz ITMUZIPDWKPHGW-UHFFFAOYSA-N 1 2 293.323 1.426 20 5 CDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000452577838 252100305 /nfs/dbraw/zinc/10/03/05/252100305.db2.gz YNOWCVNAQABECI-UHFFFAOYSA-N 1 2 277.284 1.080 20 5 CDBDLO CCNC(=O)C(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000459558234 285485252 /nfs/dbraw/zinc/48/52/52/285485252.db2.gz FUTRCTHJFDKGDA-UHFFFAOYSA-N 1 2 283.303 1.738 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000266982798 131806248 /nfs/dbraw/zinc/80/62/48/131806248.db2.gz AWXSOEVULVINFO-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000266982798 131806249 /nfs/dbraw/zinc/80/62/49/131806249.db2.gz 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CCOC1CC([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000808212820 796586093 /nfs/dbraw/zinc/58/60/93/796586093.db2.gz WGRVOJIWKZZLEM-UHFFFAOYSA-N 1 2 268.317 1.557 20 5 CDBDLO CCOC1CC([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000808212820 796586098 /nfs/dbraw/zinc/58/60/98/796586098.db2.gz WGRVOJIWKZZLEM-UHFFFAOYSA-N 1 2 268.317 1.557 20 5 CDBDLO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000886850461 796880292 /nfs/dbraw/zinc/88/02/92/796880292.db2.gz GSMFAMCDPARSEH-NSHDSACASA-N 1 2 297.286 1.664 20 5 CDBDLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000886850461 796880293 /nfs/dbraw/zinc/88/02/93/796880293.db2.gz GSMFAMCDPARSEH-NSHDSACASA-N 1 2 297.286 1.664 20 5 CDBDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776279628 797475930 /nfs/dbraw/zinc/47/59/30/797475930.db2.gz WYWGAIYFLZFNJR-GXFFZTMASA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776279628 797475956 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CC(C)(CCC(=O)N[C@@H]1CCn2c[nH+]cc2C1)[N+](=O)[O-] ZINC000857941901 928778590 /nfs/dbraw/zinc/77/85/90/928778590.db2.gz PLUWJVPEFYHZMF-SNVBAGLBSA-N 1 2 280.328 1.150 20 5 CDBDLO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC000787579719 929386256 /nfs/dbraw/zinc/38/62/56/929386256.db2.gz ZSHYDFLZRACKBB-UHFFFAOYSA-N 1 2 263.209 1.522 20 5 CDBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000798194970 937349692 /nfs/dbraw/zinc/34/96/92/937349692.db2.gz BSLFMGCOWCEGKH-MLCYQJTMSA-N 1 2 270.354 1.694 20 5 CDBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000798194970 937349697 /nfs/dbraw/zinc/34/96/97/937349697.db2.gz BSLFMGCOWCEGKH-MLCYQJTMSA-N 1 2 270.354 1.694 20 5 CDBDLO CON1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846975142 932180301 /nfs/dbraw/zinc/18/03/01/932180301.db2.gz DJPFTMTUWZMWFM-UHFFFAOYSA-N 1 2 251.286 1.274 20 5 CDBDLO CCOCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000092885232 934901631 /nfs/dbraw/zinc/90/16/31/934901631.db2.gz 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ZINC000588070184 342492155 /nfs/dbraw/zinc/49/21/55/342492155.db2.gz LPIVXNITVIMVOB-GHMZBOCLSA-N 1 2 297.380 1.956 20 5 CDBDLO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000285895285 342004521 /nfs/dbraw/zinc/00/45/21/342004521.db2.gz CQPUWFBQXUHRQM-ZJUUUORDSA-N 1 2 279.296 1.300 20 5 CDBDLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000074313318 361782209 /nfs/dbraw/zinc/78/22/09/361782209.db2.gz IDCITGLREGMTLY-VIFPVBQESA-N 1 2 299.714 1.253 20 5 CDBDLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000074313318 361782214 /nfs/dbraw/zinc/78/22/14/361782214.db2.gz IDCITGLREGMTLY-VIFPVBQESA-N 1 2 299.714 1.253 20 5 CDBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000140783584 342071622 /nfs/dbraw/zinc/07/16/22/342071622.db2.gz BYMZXHKZRQSXSP-SECBINFHSA-N 1 2 290.279 1.574 20 5 CDBDLO Cc1noc(CN2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000595489910 343075709 /nfs/dbraw/zinc/07/57/09/343075709.db2.gz KBUYLVAHWWTVSO-UHFFFAOYSA-N 1 2 263.257 1.104 20 5 CDBDLO NC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000079466659 342344843 /nfs/dbraw/zinc/34/48/43/342344843.db2.gz QOSUNPTXRMLXBC-UHFFFAOYSA-N 1 2 296.302 1.367 20 5 CDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)[nH+]cc1C ZINC000535036354 282228161 /nfs/dbraw/zinc/22/81/61/282228161.db2.gz OONSLRYRPVWMOI-UHFFFAOYSA-N 1 2 289.295 1.172 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2cccnc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596430365 343319045 /nfs/dbraw/zinc/31/90/45/343319045.db2.gz MDBUOYUZMPYIHI-GHMZBOCLSA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2cccnc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596430365 343319048 /nfs/dbraw/zinc/31/90/48/343319048.db2.gz MDBUOYUZMPYIHI-GHMZBOCLSA-N 1 2 280.328 1.511 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596434023 343320526 /nfs/dbraw/zinc/32/05/26/343320526.db2.gz WOZKIGVNFZRKKS-RYUDHWBXSA-N 1 2 294.355 1.819 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596434023 343320528 /nfs/dbraw/zinc/32/05/28/343320528.db2.gz WOZKIGVNFZRKKS-RYUDHWBXSA-N 1 2 294.355 1.819 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(C(N)=O)CCCC1 ZINC000093215111 342424631 /nfs/dbraw/zinc/42/46/31/342424631.db2.gz NQJCYGNPTGQWEI-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(C(N)=O)CCCC1 ZINC000093215111 342424632 /nfs/dbraw/zinc/42/46/32/342424632.db2.gz NQJCYGNPTGQWEI-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598458998 343804346 /nfs/dbraw/zinc/80/43/46/343804346.db2.gz BPRWISCVIRSXFO-ZETCQYMHSA-N 1 2 280.309 1.881 20 5 CDBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000052940098 345308490 /nfs/dbraw/zinc/30/84/90/345308490.db2.gz WSDDDXKLMFYFFH-UHFFFAOYSA-N 1 2 293.323 1.644 20 5 CDBDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000052940098 345308492 /nfs/dbraw/zinc/30/84/92/345308492.db2.gz WSDDDXKLMFYFFH-UHFFFAOYSA-N 1 2 293.323 1.644 20 5 CDBDLO O=[N+]([O-])c1sccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611103738 346608645 /nfs/dbraw/zinc/60/86/45/346608645.db2.gz JJOGPIORPPKOLO-JTQLQIEISA-N 1 2 283.353 1.567 20 5 CDBDLO CCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000404451462 347127916 /nfs/dbraw/zinc/12/79/16/347127916.db2.gz GNPSCTJHSCNBBO-UHFFFAOYSA-N 1 2 275.312 1.804 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066563138 347491553 /nfs/dbraw/zinc/49/15/53/347491553.db2.gz UWNXOJPSDXLOJU-LBPRGKRZSA-N 1 2 263.297 1.435 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066563138 347491555 /nfs/dbraw/zinc/49/15/55/347491555.db2.gz UWNXOJPSDXLOJU-LBPRGKRZSA-N 1 2 263.297 1.435 20 5 CDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC1 ZINC000060792998 358454203 /nfs/dbraw/zinc/45/42/03/358454203.db2.gz KHTDDTOOTHQDSR-UHFFFAOYSA-N 1 2 272.264 1.626 20 5 CDBDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282509 188307714 /nfs/dbraw/zinc/30/77/14/188307714.db2.gz FIHNZNGXTTVEOU-AAEUAGOBSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282509 188307715 /nfs/dbraw/zinc/30/77/15/188307715.db2.gz FIHNZNGXTTVEOU-AAEUAGOBSA-N 1 2 280.324 1.567 20 5 CDBDLO Nc1c(C(=O)N2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000365751886 357207997 /nfs/dbraw/zinc/20/79/97/357207997.db2.gz SIDWEOWYLBWPPY-UHFFFAOYSA-N 1 2 287.279 1.030 20 5 CDBDLO Cc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000070978932 357178178 /nfs/dbraw/zinc/17/81/78/357178178.db2.gz KTILYDHYCLUHPG-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO COc1ccc(OCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000072635561 357360324 /nfs/dbraw/zinc/36/03/24/357360324.db2.gz DWICNXSRTWYFJN-UHFFFAOYSA-N 1 2 282.296 1.314 20 5 CDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408069226 357804518 /nfs/dbraw/zinc/80/45/18/357804518.db2.gz KJLMXLDEWHORGH-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408069226 357804521 /nfs/dbraw/zinc/80/45/21/357804521.db2.gz KJLMXLDEWHORGH-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO CC(C)(CCC(=O)NCc1ccn2cc[nH+]c2c1)[N+](=O)[O-] ZINC000294888416 199232836 /nfs/dbraw/zinc/23/28/36/199232836.db2.gz IPMZYYNNBPIMHF-UHFFFAOYSA-N 1 2 290.323 1.786 20 5 CDBDLO CCOC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176215014 358741091 /nfs/dbraw/zinc/74/10/91/358741091.db2.gz QSLCFBHOFQOXHM-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO CCOC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176215014 358741095 /nfs/dbraw/zinc/74/10/95/358741095.db2.gz QSLCFBHOFQOXHM-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774607 283397081 /nfs/dbraw/zinc/39/70/81/283397081.db2.gz MKPYTGOTBFHULX-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774607 283397084 /nfs/dbraw/zinc/39/70/84/283397084.db2.gz MKPYTGOTBFHULX-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000084726591 358975734 /nfs/dbraw/zinc/97/57/34/358975734.db2.gz QWSAWCPWMSICQT-LBPRGKRZSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000084726591 358975737 /nfs/dbraw/zinc/97/57/37/358975737.db2.gz QWSAWCPWMSICQT-LBPRGKRZSA-N 1 2 278.356 1.561 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342414542 359047074 /nfs/dbraw/zinc/04/70/74/359047074.db2.gz MTBCCLZPIIEFSO-UHFFFAOYSA-N 1 2 275.268 1.053 20 5 CDBDLO CC(C)[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1[nH]cc[nH+]1 ZINC000338882233 359191820 /nfs/dbraw/zinc/19/18/20/359191820.db2.gz XTBBLVFKIUJPON-VIFPVBQESA-N 1 2 292.299 1.179 20 5 CDBDLO CN(CC[NH+]1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000287915282 359138402 /nfs/dbraw/zinc/13/84/02/359138402.db2.gz OPSVEORNZIIYSD-UHFFFAOYSA-N 1 2 283.303 1.502 20 5 CDBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413216157 363633884 /nfs/dbraw/zinc/63/38/84/363633884.db2.gz BTZJJAGBUMBLJM-TVQRCGJNSA-N 1 2 273.292 1.960 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000112079716 359283545 /nfs/dbraw/zinc/28/35/45/359283545.db2.gz SJUVMHSDEIBSQO-CYBMUJFWSA-N 1 2 292.383 1.951 20 5 CDBDLO Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000112298341 360520149 /nfs/dbraw/zinc/52/01/49/360520149.db2.gz OAVDGZDTJHAONX-UHFFFAOYSA-N 1 2 289.295 1.869 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042393158 364580377 /nfs/dbraw/zinc/58/03/77/364580377.db2.gz PRODQWNGVIDOHK-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042393158 364580379 /nfs/dbraw/zinc/58/03/79/364580379.db2.gz PRODQWNGVIDOHK-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO Cn1c[nH+]cc1CCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000580659187 372065854 /nfs/dbraw/zinc/06/58/54/372065854.db2.gz INZXIISBJJOPCQ-UHFFFAOYSA-N 1 2 296.714 1.776 20 5 CDBDLO COc1cc[nH+]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1OC ZINC000191165031 373434927 /nfs/dbraw/zinc/43/49/27/373434927.db2.gz SHQKVKWHLVIQCK-UHFFFAOYSA-N 1 2 291.263 1.217 20 5 CDBDLO C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298616332 373762075 /nfs/dbraw/zinc/76/20/75/373762075.db2.gz VFUOWVVXOGIVME-UHFFFAOYSA-N 1 2 289.291 1.729 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000274176521 374156168 /nfs/dbraw/zinc/15/61/68/374156168.db2.gz NVLDFLKJMCPZRK-WDEREUQCSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000274176521 374156175 /nfs/dbraw/zinc/15/61/75/374156175.db2.gz NVLDFLKJMCPZRK-WDEREUQCSA-N 1 2 286.715 1.176 20 5 CDBDLO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000296136208 374372133 /nfs/dbraw/zinc/37/21/33/374372133.db2.gz UVNRFRNKCGDRFZ-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000429682091 374602755 /nfs/dbraw/zinc/60/27/55/374602755.db2.gz MSPPIIFLGDBHQO-UHFFFAOYSA-N 1 2 293.323 1.530 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000429682091 374602760 /nfs/dbraw/zinc/60/27/60/374602760.db2.gz MSPPIIFLGDBHQO-UHFFFAOYSA-N 1 2 293.323 1.530 20 5 CDBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000377763309 374619979 /nfs/dbraw/zinc/61/99/79/374619979.db2.gz PAGUSNBQNNEVKU-LLVKDONJSA-N 1 2 290.327 1.280 20 5 CDBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000377763309 374619982 /nfs/dbraw/zinc/61/99/82/374619982.db2.gz PAGUSNBQNNEVKU-LLVKDONJSA-N 1 2 290.327 1.280 20 5 CDBDLO C[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000282580772 375095335 /nfs/dbraw/zinc/09/53/35/375095335.db2.gz UTUXAQCSDCBOEN-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO C[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000282580772 375095340 /nfs/dbraw/zinc/09/53/40/375095340.db2.gz UTUXAQCSDCBOEN-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000493483560 375458147 /nfs/dbraw/zinc/45/81/47/375458147.db2.gz AAFKNTXJZLCWAW-SNAWJCMRSA-N 1 2 298.302 1.916 20 5 CDBDLO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352830293 375542825 /nfs/dbraw/zinc/54/28/25/375542825.db2.gz JHWXDCHPHVDRRX-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352830293 375542828 /nfs/dbraw/zinc/54/28/28/375542828.db2.gz JHWXDCHPHVDRRX-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000428000399 247226667 /nfs/dbraw/zinc/22/66/67/247226667.db2.gz JSYTUAAQMMWXKA-LLVKDONJSA-N 1 2 286.291 1.536 20 5 CDBDLO CCc1c[nH+]ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000358281534 375960695 /nfs/dbraw/zinc/96/06/95/375960695.db2.gz JNFVRPGPHQJIHR-UHFFFAOYSA-N 1 2 289.295 1.199 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000278842070 194179458 /nfs/dbraw/zinc/17/94/58/194179458.db2.gz KZWFFFBOVHHHNJ-LLVKDONJSA-N 1 2 297.330 1.891 20 5 CDBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1COC1 ZINC000451281257 390609708 /nfs/dbraw/zinc/60/97/08/390609708.db2.gz AFKLHEZSWCVRTK-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1COC1 ZINC000451281257 390609715 /nfs/dbraw/zinc/60/97/15/390609715.db2.gz AFKLHEZSWCVRTK-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457735786 391575471 /nfs/dbraw/zinc/57/54/71/391575471.db2.gz GUOJQQDZSFLFCQ-UHFFFAOYSA-N 1 2 293.323 1.426 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341986077 130209128 /nfs/dbraw/zinc/20/91/28/130209128.db2.gz UDXDPKQTOVVVNF-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341986077 130209129 /nfs/dbraw/zinc/20/91/29/130209129.db2.gz UDXDPKQTOVVVNF-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO Cc1noc(C2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000459614664 392491726 /nfs/dbraw/zinc/49/17/26/392491726.db2.gz 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292.270 1.877 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOCC1 ZINC000363135787 159301053 /nfs/dbraw/zinc/30/10/53/159301053.db2.gz YZUJZNXVKDKQQL-UHFFFAOYSA-N 1 2 266.297 1.826 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOCC1 ZINC000363135787 159301054 /nfs/dbraw/zinc/30/10/54/159301054.db2.gz YZUJZNXVKDKQQL-UHFFFAOYSA-N 1 2 266.297 1.826 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCOCC1 ZINC000037371694 173161278 /nfs/dbraw/zinc/16/12/78/173161278.db2.gz AUWDLWYXRKEHFG-UHFFFAOYSA-N 1 2 265.313 1.647 20 5 CDBDLO Cc1nc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297274067 280589840 /nfs/dbraw/zinc/58/98/40/280589840.db2.gz WZCHBRVRZMVMFR-ONGXEEELSA-N 1 2 295.343 1.214 20 5 CDBDLO Cn1cnnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000551994860 290038025 /nfs/dbraw/zinc/03/80/25/290038025.db2.gz KYAAYHLNVCRICX-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1cnnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000551994860 290038026 /nfs/dbraw/zinc/03/80/26/290038026.db2.gz 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O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000159769504 805323632 /nfs/dbraw/zinc/32/36/32/805323632.db2.gz OQWVMLBFUQAGNJ-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886315619 811348246 /nfs/dbraw/zinc/34/82/46/811348246.db2.gz UXSZPCDAOYYRGP-JTQLQIEISA-N 1 2 273.296 1.939 20 5 CDBDLO Cc1noc(C[N@H+]2CCOC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000851866537 816896450 /nfs/dbraw/zinc/89/64/50/816896450.db2.gz RDEICNPLGOONSI-QMMMGPOBSA-N 1 2 255.274 1.360 20 5 CDBDLO Cc1noc(C[N@@H+]2CCOC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000851866537 816896452 /nfs/dbraw/zinc/89/64/52/816896452.db2.gz RDEICNPLGOONSI-QMMMGPOBSA-N 1 2 255.274 1.360 20 5 CDBDLO NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000880393174 817210252 /nfs/dbraw/zinc/21/02/52/817210252.db2.gz IEKHTOGCFLOWTO-UHFFFAOYSA-N 1 2 293.323 1.061 20 5 CDBDLO NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000880393174 817210258 /nfs/dbraw/zinc/21/02/58/817210258.db2.gz IEKHTOGCFLOWTO-UHFFFAOYSA-N 1 2 293.323 1.061 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000830480763 936461356 /nfs/dbraw/zinc/46/13/56/936461356.db2.gz SYDZTBQKNDDWEV-CMPLNLGQSA-N 1 2 254.261 1.672 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000830480763 936461358 /nfs/dbraw/zinc/46/13/58/936461358.db2.gz SYDZTBQKNDDWEV-CMPLNLGQSA-N 1 2 254.261 1.672 20 5 CDBDLO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815078388 929934656 /nfs/dbraw/zinc/93/46/56/929934656.db2.gz BGOWCFJCCHDAHW-SNVBAGLBSA-N 1 2 265.313 1.436 20 5 CDBDLO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000815078388 929934659 /nfs/dbraw/zinc/93/46/59/929934659.db2.gz BGOWCFJCCHDAHW-SNVBAGLBSA-N 1 2 265.313 1.436 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000885985228 930784830 /nfs/dbraw/zinc/78/48/30/930784830.db2.gz BVGAJLRCCXNUKC-SECBINFHSA-N 1 2 253.327 1.927 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000885985228 930784836 /nfs/dbraw/zinc/78/48/36/930784836.db2.gz BVGAJLRCCXNUKC-SECBINFHSA-N 1 2 253.327 1.927 20 5 CDBDLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001226951647 942101698 /nfs/dbraw/zinc/10/16/98/942101698.db2.gz COZVKNBKBPOUMP-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001226951647 942101699 /nfs/dbraw/zinc/10/16/99/942101699.db2.gz COZVKNBKBPOUMP-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3O)[C@H]1CC(=O)C2 ZINC001229396672 942465201 /nfs/dbraw/zinc/46/52/01/942465201.db2.gz VWUMDUYMQIHKLI-UFGOTCBOSA-N 1 2 292.291 1.483 20 5 CDBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3O)[C@H]1CC(=O)C2 ZINC001229396672 942465206 /nfs/dbraw/zinc/46/52/06/942465206.db2.gz VWUMDUYMQIHKLI-UFGOTCBOSA-N 1 2 292.291 1.483 20 5 CDBDLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564736 947527789 /nfs/dbraw/zinc/52/77/89/947527789.db2.gz MQYSLTPSCGDAFN-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564736 947527800 /nfs/dbraw/zinc/52/78/00/947527800.db2.gz MQYSLTPSCGDAFN-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000590379448 342541262 /nfs/dbraw/zinc/54/12/62/342541262.db2.gz SYEQEXRGLIOULT-UHFFFAOYSA-N 1 2 272.264 1.516 20 5 CDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590379448 342541263 /nfs/dbraw/zinc/54/12/63/342541263.db2.gz SYEQEXRGLIOULT-UHFFFAOYSA-N 1 2 272.264 1.516 20 5 CDBDLO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235585645 342050603 /nfs/dbraw/zinc/05/06/03/342050603.db2.gz XDNGBPNMKIZPQS-APPZFPTMSA-N 1 2 265.269 1.237 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](F)C1)OCCO2 ZINC000590658755 342581306 /nfs/dbraw/zinc/58/13/06/342581306.db2.gz VYDIXHNGFQBWND-JTQLQIEISA-N 1 2 282.271 1.910 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](F)C1)OCCO2 ZINC000590658755 342581307 /nfs/dbraw/zinc/58/13/07/342581307.db2.gz VYDIXHNGFQBWND-JTQLQIEISA-N 1 2 282.271 1.910 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000609150067 342092391 /nfs/dbraw/zinc/09/23/91/342092391.db2.gz HWQMNXCISPRTIG-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000609150067 342092392 /nfs/dbraw/zinc/09/23/92/342092392.db2.gz HWQMNXCISPRTIG-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H]4[C@H](CO)[C@H]4C3)c2c1 ZINC000591163024 342620473 /nfs/dbraw/zinc/62/04/73/342620473.db2.gz KFYIEPCPIDDUCY-WDNDVIMCSA-N 1 2 285.303 1.818 20 5 CDBDLO Cc1noc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595352869 343037837 /nfs/dbraw/zinc/03/78/37/343037837.db2.gz PWLPKQHCSPQTCX-MWLCHTKSSA-N 1 2 299.352 1.598 20 5 CDBDLO Cc1noc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595352869 343037838 /nfs/dbraw/zinc/03/78/38/343037838.db2.gz PWLPKQHCSPQTCX-MWLCHTKSSA-N 1 2 299.352 1.598 20 5 CDBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(C)c[nH+]1 ZINC000535036174 282228015 /nfs/dbraw/zinc/22/80/15/282228015.db2.gz UUABFMBIJJCTMO-UHFFFAOYSA-N 1 2 274.280 1.619 20 5 CDBDLO CNC(=O)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597249062 343498431 /nfs/dbraw/zinc/49/84/31/343498431.db2.gz GIJJCUVXNCUQOK-UHFFFAOYSA-N 1 2 279.340 1.896 20 5 CDBDLO CNC(=O)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000597249062 343498432 /nfs/dbraw/zinc/49/84/32/343498432.db2.gz GIJJCUVXNCUQOK-UHFFFAOYSA-N 1 2 279.340 1.896 20 5 CDBDLO CC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602795677 344586353 /nfs/dbraw/zinc/58/63/53/344586353.db2.gz UTJKQQVGDZOFHY-SNVBAGLBSA-N 1 2 264.285 1.065 20 5 CDBDLO CC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602795677 344586356 /nfs/dbraw/zinc/58/63/56/344586356.db2.gz UTJKQQVGDZOFHY-SNVBAGLBSA-N 1 2 264.285 1.065 20 5 CDBDLO Cc1nn(CCn2cc[nH+]c2)c2ncc([N+](=O)[O-])cc12 ZINC000603324317 344775719 /nfs/dbraw/zinc/77/57/19/344775719.db2.gz FHURITFDTCJUKL-UHFFFAOYSA-N 1 2 272.268 1.545 20 5 CDBDLO Cc1cccc(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000041834959 344947230 /nfs/dbraw/zinc/94/72/30/344947230.db2.gz SEGBXKLPDZAKQV-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000048999728 345592520 /nfs/dbraw/zinc/59/25/20/345592520.db2.gz VPIGAQCGYHXMED-UHFFFAOYSA-N 1 2 298.368 1.232 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000610240651 346226923 /nfs/dbraw/zinc/22/69/23/346226923.db2.gz JQCKHUNOKBIXEX-UHFFFAOYSA-N 1 2 286.291 1.797 20 5 CDBDLO C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000057838203 347101514 /nfs/dbraw/zinc/10/15/14/347101514.db2.gz QXWQQFICNMJSQK-LBPRGKRZSA-N 1 2 278.356 1.643 20 5 CDBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C[NH+](C)C ZINC000293656004 362851014 /nfs/dbraw/zinc/85/10/14/362851014.db2.gz FKKOPXAZDQCPLX-VIFPVBQESA-N 1 2 281.312 1.228 20 5 CDBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000073141332 349153710 /nfs/dbraw/zinc/15/37/10/349153710.db2.gz MBMVEQHATKHAKE-CYBMUJFWSA-N 1 2 293.323 1.014 20 5 CDBDLO CN(C(=O)C[N@H+]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000073141332 349153714 /nfs/dbraw/zinc/15/37/14/349153714.db2.gz MBMVEQHATKHAKE-CYBMUJFWSA-N 1 2 293.323 1.014 20 5 CDBDLO Cc1cnc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000090692181 180024930 /nfs/dbraw/zinc/02/49/30/180024930.db2.gz GCLJDEBMXNAUOZ-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc[nH+]cc1C ZINC000107286084 186165423 /nfs/dbraw/zinc/16/54/23/186165423.db2.gz CHBOXLLIXJPVAT-UHFFFAOYSA-N 1 2 289.295 1.832 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000286115328 356218501 /nfs/dbraw/zinc/21/85/01/356218501.db2.gz GHVOMIXJUBTTGF-SNVBAGLBSA-N 1 2 280.303 1.146 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000083601453 357280019 /nfs/dbraw/zinc/28/00/19/357280019.db2.gz MGMOUBLFORVMOE-UHFFFAOYSA-N 1 2 264.216 1.387 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408085694 357818347 /nfs/dbraw/zinc/81/83/47/357818347.db2.gz BZRBKCMUQPQJSH-NXEZZACHSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408085694 357818351 /nfs/dbraw/zinc/81/83/51/357818351.db2.gz BZRBKCMUQPQJSH-NXEZZACHSA-N 1 2 293.323 1.465 20 5 CDBDLO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189433212 358011555 /nfs/dbraw/zinc/01/15/55/358011555.db2.gz QKHJIMCJIVBRHW-SMDDNHRTSA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189433212 358011556 /nfs/dbraw/zinc/01/15/56/358011556.db2.gz QKHJIMCJIVBRHW-SMDDNHRTSA-N 1 2 280.324 1.831 20 5 CDBDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000051562686 358899294 /nfs/dbraw/zinc/89/92/94/358899294.db2.gz ZIZZHIKIQATBKQ-JTQLQIEISA-N 1 2 279.296 1.053 20 5 CDBDLO COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000051562686 358899295 /nfs/dbraw/zinc/89/92/95/358899295.db2.gz ZIZZHIKIQATBKQ-JTQLQIEISA-N 1 2 279.296 1.053 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339001874 359269034 /nfs/dbraw/zinc/26/90/34/359269034.db2.gz ZPPMBZIXVKDNBI-ZDUSSCGKSA-N 1 2 268.288 1.810 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339001874 359269037 /nfs/dbraw/zinc/26/90/37/359269037.db2.gz ZPPMBZIXVKDNBI-ZDUSSCGKSA-N 1 2 268.288 1.810 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000339061700 359283511 /nfs/dbraw/zinc/28/35/11/359283511.db2.gz PHSQRDIHABAIPA-PRHODGIISA-N 1 2 252.270 1.113 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000339061700 359283512 /nfs/dbraw/zinc/28/35/12/359283512.db2.gz PHSQRDIHABAIPA-PRHODGIISA-N 1 2 252.270 1.113 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ncnn1C ZINC000353232749 359653477 /nfs/dbraw/zinc/65/34/77/359653477.db2.gz LRWLEFFPCSALMK-QMMMGPOBSA-N 1 2 279.275 1.713 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])c(C)cc2=O)c1 ZINC000270124078 359904629 /nfs/dbraw/zinc/90/46/29/359904629.db2.gz KTMVSFLNBPJPCU-UHFFFAOYSA-N 1 2 289.291 1.825 20 5 CDBDLO COc1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000582333287 364085351 /nfs/dbraw/zinc/08/53/51/364085351.db2.gz GRWZHPBACJANKK-UHFFFAOYSA-N 1 2 298.280 1.127 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000249510535 364787518 /nfs/dbraw/zinc/78/75/18/364787518.db2.gz ZTZYHUDFPQLRJR-FZMZJTMJSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000249510535 364787521 /nfs/dbraw/zinc/78/75/21/364787521.db2.gz ZTZYHUDFPQLRJR-FZMZJTMJSA-N 1 2 296.323 1.055 20 5 CDBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038679300 368631269 /nfs/dbraw/zinc/63/12/69/368631269.db2.gz PDBZBARYKXXVHD-GFCCVEGCSA-N 1 2 264.281 1.732 20 5 CDBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038679300 368631273 /nfs/dbraw/zinc/63/12/73/368631273.db2.gz PDBZBARYKXXVHD-GFCCVEGCSA-N 1 2 264.281 1.732 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276290706 193274411 /nfs/dbraw/zinc/27/44/11/193274411.db2.gz HQLULWVEKLEQHB-ZDUSSCGKSA-N 1 2 295.314 1.787 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276290706 193274413 /nfs/dbraw/zinc/27/44/13/193274413.db2.gz HQLULWVEKLEQHB-ZDUSSCGKSA-N 1 2 295.314 1.787 20 5 CDBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066498543 374338737 /nfs/dbraw/zinc/33/87/37/374338737.db2.gz QLIQGSRZZUOUTD-ZDUSSCGKSA-N 1 2 277.324 1.551 20 5 CDBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066498543 374338739 /nfs/dbraw/zinc/33/87/39/374338739.db2.gz QLIQGSRZZUOUTD-ZDUSSCGKSA-N 1 2 277.324 1.551 20 5 CDBDLO CC1(C)C(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000066528540 374344041 /nfs/dbraw/zinc/34/40/41/374344041.db2.gz LXWOYDABGBWQSP-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO CC1(C)C(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000066528540 374344046 /nfs/dbraw/zinc/34/40/46/374344046.db2.gz LXWOYDABGBWQSP-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000080624228 374474220 /nfs/dbraw/zinc/47/42/20/374474220.db2.gz AEVYOQWWSWFWHX-UHFFFAOYSA-N 1 2 296.308 1.105 20 5 CDBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375944015 374524330 /nfs/dbraw/zinc/52/43/30/374524330.db2.gz YPXQXEPTNRKZNX-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375944015 374524337 /nfs/dbraw/zinc/52/43/37/374524337.db2.gz YPXQXEPTNRKZNX-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000424046870 246306312 /nfs/dbraw/zinc/30/63/12/246306312.db2.gz MGDUCOVEFPYIHM-UHFFFAOYSA-N 1 2 267.285 1.158 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500287 375090315 /nfs/dbraw/zinc/09/03/15/375090315.db2.gz QTOUKRMCINEOCP-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500287 375090323 /nfs/dbraw/zinc/09/03/23/375090323.db2.gz QTOUKRMCINEOCP-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000282870379 375105144 /nfs/dbraw/zinc/10/51/44/375105144.db2.gz XWODPJNRZUJLPX-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000282870379 375105147 /nfs/dbraw/zinc/10/51/47/375105147.db2.gz XWODPJNRZUJLPX-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938039 375342958 /nfs/dbraw/zinc/34/29/58/375342958.db2.gz WTNIJYUSUPFNAK-QWHCGFSZSA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938039 375342965 /nfs/dbraw/zinc/34/29/65/375342965.db2.gz WTNIJYUSUPFNAK-QWHCGFSZSA-N 1 2 293.367 1.998 20 5 CDBDLO Cc1ccc2[nH+]c(CNc3ncc([N+](=O)[O-])cn3)cn2c1 ZINC000354505753 375718409 /nfs/dbraw/zinc/71/84/09/375718409.db2.gz JWXOXWZOQGHLQK-UHFFFAOYSA-N 1 2 284.279 1.375 20 5 CDBDLO CN(C(=O)C[N@@H+]1CC[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000347352833 375803863 /nfs/dbraw/zinc/80/38/63/375803863.db2.gz OBONBYZCOMOIHT-AWEZNQCLSA-N 1 2 295.314 1.992 20 5 CDBDLO CN(C(=O)C[N@H+]1CC[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000347352833 375803870 /nfs/dbraw/zinc/80/38/70/375803870.db2.gz OBONBYZCOMOIHT-AWEZNQCLSA-N 1 2 295.314 1.992 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358114360 375952542 /nfs/dbraw/zinc/95/25/42/375952542.db2.gz BNLYTBBWYKYFLK-UHFFFAOYSA-N 1 2 286.247 1.994 20 5 CDBDLO C[N@H+](CCCS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000171376905 376557930 /nfs/dbraw/zinc/55/79/30/376557930.db2.gz NKSFUPFIEZWQJR-UHFFFAOYSA-N 1 2 286.353 1.461 20 5 CDBDLO C[N@@H+](CCCS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000171376905 376557936 /nfs/dbraw/zinc/55/79/36/376557936.db2.gz NKSFUPFIEZWQJR-UHFFFAOYSA-N 1 2 286.353 1.461 20 5 CDBDLO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000172621950 377655855 /nfs/dbraw/zinc/65/58/55/377655855.db2.gz JWOGHGTWBRGTBO-VIFPVBQESA-N 1 2 294.336 1.919 20 5 CDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncccc1[N+](=O)[O-] ZINC000278822923 194170487 /nfs/dbraw/zinc/17/04/87/194170487.db2.gz JIQKAAVNOCPJIP-UHFFFAOYSA-N 1 2 294.355 1.537 20 5 CDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncccc1[N+](=O)[O-] ZINC000278822923 194170489 /nfs/dbraw/zinc/17/04/89/194170489.db2.gz JIQKAAVNOCPJIP-UHFFFAOYSA-N 1 2 294.355 1.537 20 5 CDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nccs1 ZINC000175092420 379634338 /nfs/dbraw/zinc/63/43/38/379634338.db2.gz WCNVESFQJUWAFL-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nccs1 ZINC000175092420 379634351 /nfs/dbraw/zinc/63/43/51/379634351.db2.gz WCNVESFQJUWAFL-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000042565031 379611919 /nfs/dbraw/zinc/61/19/19/379611919.db2.gz UEQLWASTDDJDAK-UHFFFAOYSA-N 1 2 255.299 1.044 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000493040313 253353621 /nfs/dbraw/zinc/35/36/21/253353621.db2.gz QWYKYUMYUMDPNV-UTCJRWHESA-N 1 2 286.291 1.690 20 5 CDBDLO O=[N+]([O-])c1ccc2ncnc(NCCn3cc[nH+]c3)c2c1 ZINC000081589606 177826418 /nfs/dbraw/zinc/82/64/18/177826418.db2.gz CVRFMDWINQRFBZ-UHFFFAOYSA-N 1 2 284.279 1.847 20 5 CDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C(N)=O ZINC000451134437 390602185 /nfs/dbraw/zinc/60/21/85/390602185.db2.gz IFNSOSDPCKTZMZ-UHFFFAOYSA-N 1 2 291.311 1.167 20 5 CDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C(N)=O ZINC000451134437 390602190 /nfs/dbraw/zinc/60/21/90/390602190.db2.gz IFNSOSDPCKTZMZ-UHFFFAOYSA-N 1 2 291.311 1.167 20 5 CDBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000337344328 390810109 /nfs/dbraw/zinc/81/01/09/390810109.db2.gz KELARXDCJLEYRO-UHFFFAOYSA-N 1 2 260.253 1.311 20 5 CDBDLO Cn1c(C(=O)NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000517796468 391410272 /nfs/dbraw/zinc/41/02/72/391410272.db2.gz HPFNAXNZTXXQBQ-UHFFFAOYSA-N 1 2 291.311 1.340 20 5 CDBDLO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262318523 131211007 /nfs/dbraw/zinc/21/10/07/131211007.db2.gz DVOPDZHNKNHZRC-WCBMZHEXSA-N 1 2 279.296 1.171 20 5 CDBDLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449283948 393131561 /nfs/dbraw/zinc/13/15/61/393131561.db2.gz MUVYXJZUYMAIAN-ZJUUUORDSA-N 1 2 266.297 1.677 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000225465657 140177198 /nfs/dbraw/zinc/17/71/98/140177198.db2.gz KLICEIWODDUKAJ-UHFFFAOYSA-N 1 2 293.258 1.311 20 5 CDBDLO COC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621026 155309299 /nfs/dbraw/zinc/30/92/99/155309299.db2.gz KXHFWKFUBLEWSV-UHFFFAOYSA-N 1 2 280.280 1.352 20 5 CDBDLO COC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621026 155309300 /nfs/dbraw/zinc/30/93/00/155309300.db2.gz KXHFWKFUBLEWSV-UHFFFAOYSA-N 1 2 280.280 1.352 20 5 CDBDLO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000237646739 297113051 /nfs/dbraw/zinc/11/30/51/297113051.db2.gz HPSUGGVFNPZNHF-DTWKUNHWSA-N 1 2 279.296 1.123 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179578037 260055744 /nfs/dbraw/zinc/05/57/44/260055744.db2.gz YMTKGUHMDVEMRP-YIALFULDSA-N 1 2 275.308 1.558 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179578037 260055745 /nfs/dbraw/zinc/05/57/45/260055745.db2.gz YMTKGUHMDVEMRP-YIALFULDSA-N 1 2 275.308 1.558 20 5 CDBDLO CC[C@H](F)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459511185 276576734 /nfs/dbraw/zinc/57/67/34/276576734.db2.gz ORXVBRHMZTWTBD-NSHDSACASA-N 1 2 282.319 1.860 20 5 CDBDLO CO[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413265048 277344740 /nfs/dbraw/zinc/34/47/40/277344740.db2.gz XBFDIXAYCCCYGW-CYBMUJFWSA-N 1 2 289.291 1.952 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000523754982 281100674 /nfs/dbraw/zinc/10/06/74/281100674.db2.gz KQZNZSGGCFOJNY-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000523754982 281100676 /nfs/dbraw/zinc/10/06/76/281100676.db2.gz KQZNZSGGCFOJNY-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO O=[N+]([O-])c1c(N2CC(n3cc[nH+]c3)C2)nc2sccn21 ZINC000531578157 281800979 /nfs/dbraw/zinc/80/09/79/281800979.db2.gz NUJFSUJLCUHMLQ-UHFFFAOYSA-N 1 2 290.308 1.562 20 5 CDBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccn[nH]2)n1 ZINC000578832504 324032469 /nfs/dbraw/zinc/03/24/69/324032469.db2.gz SQPXTJBXQIYIQQ-RYUDHWBXSA-N 1 2 290.327 1.788 20 5 CDBDLO C[C@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272487667 534087740 /nfs/dbraw/zinc/08/77/40/534087740.db2.gz DFDMBQWXSSAAEG-GXFFZTMASA-N 1 2 290.323 1.388 20 5 CDBDLO O=[N+]([O-])c1cnc(-n2c[nH+]c(CCCO)c2)c(Cl)c1 ZINC000736286916 575611200 /nfs/dbraw/zinc/61/12/00/575611200.db2.gz ANBGFPFZNVLGSO-UHFFFAOYSA-N 1 2 282.687 1.754 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000763107881 576713087 /nfs/dbraw/zinc/71/30/87/576713087.db2.gz GFVRTRQZNNIGDL-UHFFFAOYSA-N 1 2 261.237 1.648 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2CO)c(Cl)c1 ZINC000934018775 617857962 /nfs/dbraw/zinc/85/79/62/617857962.db2.gz YJNVXKQZTYLROG-JTQLQIEISA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2CO)c(Cl)c1 ZINC000934018775 617857963 /nfs/dbraw/zinc/85/79/63/617857963.db2.gz YJNVXKQZTYLROG-JTQLQIEISA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000791054428 618743538 /nfs/dbraw/zinc/74/35/38/618743538.db2.gz UYKWTUJUEXNVBH-UHFFFAOYSA-N 1 2 253.277 1.224 20 5 CDBDLO NC(=O)c1ccc(C[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000796540190 620311968 /nfs/dbraw/zinc/31/19/68/620311968.db2.gz HMRJUIAPZFREQQ-UHFFFAOYSA-N 1 2 299.277 1.925 20 5 CDBDLO C[N@H+](CCOc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000914565001 631515918 /nfs/dbraw/zinc/51/59/18/631515918.db2.gz CLPVAYSWTJEUSN-UHFFFAOYSA-N 1 2 276.296 1.760 20 5 CDBDLO C[N@@H+](CCOc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000914565001 631515926 /nfs/dbraw/zinc/51/59/26/631515926.db2.gz CLPVAYSWTJEUSN-UHFFFAOYSA-N 1 2 276.296 1.760 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133993819 818073754 /nfs/dbraw/zinc/07/37/54/818073754.db2.gz CJTQRWDMAGFAFH-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133993819 818073759 /nfs/dbraw/zinc/07/37/59/818073759.db2.gz CJTQRWDMAGFAFH-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000852432917 818345961 /nfs/dbraw/zinc/34/59/61/818345961.db2.gz QONRWPVVCSDFRZ-JTQLQIEISA-N 1 2 297.336 1.683 20 5 CDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000852432917 818345971 /nfs/dbraw/zinc/34/59/71/818345971.db2.gz QONRWPVVCSDFRZ-JTQLQIEISA-N 1 2 297.336 1.683 20 5 CDBDLO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000791053882 819344550 /nfs/dbraw/zinc/34/45/50/819344550.db2.gz JNEBIABMASLZBC-LLVKDONJSA-N 1 2 260.240 1.519 20 5 CDBDLO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840264773 819899634 /nfs/dbraw/zinc/89/96/34/819899634.db2.gz YPRNKNMMOFSWFU-ZYHUDNBSSA-N 1 2 293.323 1.361 20 5 CDBDLO Cc1c[nH+]c2c(c1)N(C(=O)CCC(C)(C)[N+](=O)[O-])CCN2 ZINC000858001612 820818515 /nfs/dbraw/zinc/81/85/15/820818515.db2.gz YWBGZHJAMQQEIQ-UHFFFAOYSA-N 1 2 292.339 1.984 20 5 CDBDLO C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000841737144 821792420 /nfs/dbraw/zinc/79/24/20/821792420.db2.gz BVOCPYPLRDVPAD-VXGBXAGGSA-N 1 2 288.307 1.931 20 5 CDBDLO CCOC1CC([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000808213432 821827717 /nfs/dbraw/zinc/82/77/17/821827717.db2.gz JLGFTOOXPDGPSL-UHFFFAOYSA-N 1 2 254.290 1.248 20 5 CDBDLO CCOC1CC([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000808213432 821827720 /nfs/dbraw/zinc/82/77/20/821827720.db2.gz JLGFTOOXPDGPSL-UHFFFAOYSA-N 1 2 254.290 1.248 20 5 CDBDLO CC[C@@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCCO1 ZINC000799164591 822114774 /nfs/dbraw/zinc/11/47/74/822114774.db2.gz SVIVBQPOQSFMCX-GFCCVEGCSA-N 1 2 282.344 1.867 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCCO1 ZINC000799164591 822114795 /nfs/dbraw/zinc/11/47/95/822114795.db2.gz SVIVBQPOQSFMCX-GFCCVEGCSA-N 1 2 282.344 1.867 20 5 CDBDLO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)n2)cc1[N+](=O)[O-] ZINC000924841963 822393431 /nfs/dbraw/zinc/39/34/31/822393431.db2.gz MAAPCVVIVCRVMS-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO COc1nc(C)c(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167617577 897056685 /nfs/dbraw/zinc/05/66/85/897056685.db2.gz PZPOOLDDPZKOQR-UHFFFAOYSA-N 1 2 289.295 1.896 20 5 CDBDLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025640957 899117366 /nfs/dbraw/zinc/11/73/66/899117366.db2.gz IDAFMTJJJJKQQL-IAZYJMLFSA-N 1 2 281.337 1.223 20 5 CDBDLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025640957 899117373 /nfs/dbraw/zinc/11/73/73/899117373.db2.gz IDAFMTJJJJKQQL-IAZYJMLFSA-N 1 2 281.337 1.223 20 5 CDBDLO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3[nH+]2)cn1 ZINC001169004844 927609087 /nfs/dbraw/zinc/60/90/87/927609087.db2.gz SLVJMCGHRZSBCQ-UHFFFAOYSA-N 1 2 284.279 1.687 20 5 CDBDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010269 927614917 /nfs/dbraw/zinc/61/49/17/927614917.db2.gz BZYZDPHCOMTLPU-OUAUKWLOSA-N 1 2 278.299 1.524 20 5 CDBDLO C[C@]1(CO)CC(F)(F)C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010269 927614924 /nfs/dbraw/zinc/61/49/24/927614924.db2.gz BZYZDPHCOMTLPU-OUAUKWLOSA-N 1 2 278.299 1.524 20 5 CDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001158860601 938671466 /nfs/dbraw/zinc/67/14/66/938671466.db2.gz GQPNSUFOMVPEMT-JTQLQIEISA-N 1 2 290.254 1.285 20 5 CDBDLO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162688178 939118255 /nfs/dbraw/zinc/11/82/55/939118255.db2.gz JAZRQGPUVVXHCK-NSHDSACASA-N 1 2 295.339 1.654 20 5 CDBDLO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162688178 939118258 /nfs/dbraw/zinc/11/82/58/939118258.db2.gz JAZRQGPUVVXHCK-NSHDSACASA-N 1 2 295.339 1.654 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc([N+](=O)[O-])c1F ZINC001210378798 940687395 /nfs/dbraw/zinc/68/73/95/940687395.db2.gz NWZDXUYNRGWMCH-UHFFFAOYSA-N 1 2 294.242 1.679 20 5 CDBDLO CC[NH+]1CC(OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223486380 941681469 /nfs/dbraw/zinc/68/14/69/941681469.db2.gz SCFCDPOEUCYGST-UHFFFAOYSA-N 1 2 281.268 1.724 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001225661302 941894852 /nfs/dbraw/zinc/89/48/52/941894852.db2.gz JPSJEMNIIBOXFX-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001225661302 941894855 /nfs/dbraw/zinc/89/48/55/941894855.db2.gz JPSJEMNIIBOXFX-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001225661295 941895201 /nfs/dbraw/zinc/89/52/01/941895201.db2.gz JPSJEMNIIBOXFX-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001225661295 941895203 /nfs/dbraw/zinc/89/52/03/941895203.db2.gz JPSJEMNIIBOXFX-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115836 942420608 /nfs/dbraw/zinc/42/06/08/942420608.db2.gz SKOSDDCLYFUGBE-PSKZRQQASA-N 1 2 278.308 1.643 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115836 942420610 /nfs/dbraw/zinc/42/06/10/942420610.db2.gz SKOSDDCLYFUGBE-PSKZRQQASA-N 1 2 278.308 1.643 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCn3ccnc3C1)C2 ZINC001254594778 947547497 /nfs/dbraw/zinc/54/74/97/947547497.db2.gz SQDXAQJEVXDTMO-CQSZACIVSA-N 1 2 284.319 1.774 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCn3ccnc3C1)C2 ZINC001254594778 947547507 /nfs/dbraw/zinc/54/75/07/947547507.db2.gz SQDXAQJEVXDTMO-CQSZACIVSA-N 1 2 284.319 1.774 20 5 CDBDLO N#CN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611522 947555843 /nfs/dbraw/zinc/55/58/43/947555843.db2.gz ZMXVXTKOYIHMOT-CQSZACIVSA-N 1 2 272.308 1.161 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1c([N+](=O)[O-])cnn1C ZINC001333670436 958495058 /nfs/dbraw/zinc/49/50/58/958495058.db2.gz HLTBUMMGHHMUAB-UHFFFAOYSA-N 1 2 264.289 1.051 20 5 CDBDLO CCc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(CC)[nH+]1 ZINC001333678821 958508316 /nfs/dbraw/zinc/50/83/16/958508316.db2.gz CJDGKDAWHVBXQY-UHFFFAOYSA-N 1 2 290.327 1.818 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC001337131241 960961599 /nfs/dbraw/zinc/96/15/99/960961599.db2.gz NSVRWWAQEKWRGE-UHFFFAOYSA-N 1 2 290.279 1.690 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC001323999972 961098193 /nfs/dbraw/zinc/09/81/93/961098193.db2.gz DWVHAZOVLKIPSV-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO COc1ccc(NC(=O)C[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517619 346808835 /nfs/dbraw/zinc/80/88/35/346808835.db2.gz YNIFSGXXSOKWIN-UHFFFAOYSA-N 1 2 291.307 1.804 20 5 CDBDLO COc1ccc(NC(=O)C[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517619 346808837 /nfs/dbraw/zinc/80/88/37/346808837.db2.gz YNIFSGXXSOKWIN-UHFFFAOYSA-N 1 2 291.307 1.804 20 5 CDBDLO Cc1nc(N2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000590568023 342576123 /nfs/dbraw/zinc/57/61/23/342576123.db2.gz YUGSBPXBYXKQMT-UHFFFAOYSA-N 1 2 259.269 1.584 20 5 CDBDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)ncc1[N+](=O)[O-] ZINC000590567910 342576141 /nfs/dbraw/zinc/57/61/41/342576141.db2.gz WZYKAEXEBUQQDQ-UHFFFAOYSA-N 1 2 259.269 1.584 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000590550725 342576274 /nfs/dbraw/zinc/57/62/74/342576274.db2.gz QVFFERSMESJGCB-GFCCVEGCSA-N 1 2 293.323 1.481 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000590550725 342576275 /nfs/dbraw/zinc/57/62/75/342576275.db2.gz QVFFERSMESJGCB-GFCCVEGCSA-N 1 2 293.323 1.481 20 5 CDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590552539 342576452 /nfs/dbraw/zinc/57/64/52/342576452.db2.gz NLMXWPBRVDXCCW-UHFFFAOYSA-N 1 2 287.279 1.099 20 5 CDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590552539 342576453 /nfs/dbraw/zinc/57/64/53/342576453.db2.gz NLMXWPBRVDXCCW-UHFFFAOYSA-N 1 2 287.279 1.099 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000590550728 342576455 /nfs/dbraw/zinc/57/64/55/342576455.db2.gz QVFFERSMESJGCB-LBPRGKRZSA-N 1 2 293.323 1.481 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000590550728 342576456 /nfs/dbraw/zinc/57/64/56/342576456.db2.gz QVFFERSMESJGCB-LBPRGKRZSA-N 1 2 293.323 1.481 20 5 CDBDLO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235601474 342051197 /nfs/dbraw/zinc/05/11/97/342051197.db2.gz XDNGBPNMKIZPQS-VXNVDRBHSA-N 1 2 265.269 1.237 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299374448 361986856 /nfs/dbraw/zinc/98/68/56/361986856.db2.gz WXDLVMOADLUQAG-NSHDSACASA-N 1 2 288.307 1.918 20 5 CDBDLO CC(C)Oc1nc(NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000594548474 342916256 /nfs/dbraw/zinc/91/62/56/342916256.db2.gz CXGJCZPEWYPLBS-UHFFFAOYSA-N 1 2 291.311 1.545 20 5 CDBDLO COCCO[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595391721 343046554 /nfs/dbraw/zinc/04/65/54/343046554.db2.gz OMYJSDUVJPVELI-NSHDSACASA-N 1 2 299.327 1.519 20 5 CDBDLO COCCO[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595391721 343046555 /nfs/dbraw/zinc/04/65/55/343046555.db2.gz OMYJSDUVJPVELI-NSHDSACASA-N 1 2 299.327 1.519 20 5 CDBDLO Cc1noc(C[N@H+](C)CCCn2ccnc2)c1[N+](=O)[O-] ZINC000595400519 343048491 /nfs/dbraw/zinc/04/84/91/343048491.db2.gz LVMSJIDCVRVSML-UHFFFAOYSA-N 1 2 279.300 1.610 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCCn2ccnc2)c1[N+](=O)[O-] ZINC000595400519 343048492 /nfs/dbraw/zinc/04/84/92/343048492.db2.gz LVMSJIDCVRVSML-UHFFFAOYSA-N 1 2 279.300 1.610 20 5 CDBDLO Cc1noc(C[N@@H+](C[C@@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000595564228 343099682 /nfs/dbraw/zinc/09/96/82/343099682.db2.gz YPMQNKMZWHWWLF-SSDOTTSWSA-N 1 2 255.274 1.236 20 5 CDBDLO Cc1noc(C[N@H+](C[C@@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000595564228 343099683 /nfs/dbraw/zinc/09/96/83/343099683.db2.gz YPMQNKMZWHWWLF-SSDOTTSWSA-N 1 2 255.274 1.236 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000595541561 343093475 /nfs/dbraw/zinc/09/34/75/343093475.db2.gz URWDZYLMXWNQRU-ZJUUUORDSA-N 1 2 267.285 1.502 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000595541561 343093476 /nfs/dbraw/zinc/09/34/76/343093476.db2.gz URWDZYLMXWNQRU-ZJUUUORDSA-N 1 2 267.285 1.502 20 5 CDBDLO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCC[N@H+]1C ZINC000436918724 362123024 /nfs/dbraw/zinc/12/30/24/362123024.db2.gz JSTLVZCHRLITNW-BXKDBHETSA-N 1 2 293.323 1.513 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2[nH+]c[nH]c2C1 ZINC000596237615 343283132 /nfs/dbraw/zinc/28/31/32/343283132.db2.gz VRARGYUFAZPAMJ-UHFFFAOYSA-N 1 2 276.300 1.405 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596620273 343358042 /nfs/dbraw/zinc/35/80/42/343358042.db2.gz PPAMWTRVSMYNIP-SNVBAGLBSA-N 1 2 286.291 1.992 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000104668908 186012726 /nfs/dbraw/zinc/01/27/26/186012726.db2.gz BJXOLGTVGGEZEV-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000104668908 186012728 /nfs/dbraw/zinc/01/27/28/186012728.db2.gz BJXOLGTVGGEZEV-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124267609 187129645 /nfs/dbraw/zinc/12/96/45/187129645.db2.gz LHONUPIBEASPDT-CQSZACIVSA-N 1 2 293.323 1.380 20 5 CDBDLO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124267609 187129646 /nfs/dbraw/zinc/12/96/46/187129646.db2.gz LHONUPIBEASPDT-CQSZACIVSA-N 1 2 293.323 1.380 20 5 CDBDLO Cc1nc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000123843987 187110867 /nfs/dbraw/zinc/11/08/67/187110867.db2.gz KEKNHSGAGQOPGQ-UHFFFAOYSA-N 1 2 261.285 1.997 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000292135763 198177017 /nfs/dbraw/zinc/17/70/17/198177017.db2.gz SZCCXODXAZXBPC-UHFFFAOYSA-N 1 2 286.291 1.756 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](O)C3)n2)c1 ZINC000152529003 188026663 /nfs/dbraw/zinc/02/66/63/188026663.db2.gz GRLQVRSTVGEGHK-LLVKDONJSA-N 1 2 290.279 1.211 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](O)C3)n2)c1 ZINC000152529003 188026665 /nfs/dbraw/zinc/02/66/65/188026665.db2.gz GRLQVRSTVGEGHK-LLVKDONJSA-N 1 2 290.279 1.211 20 5 CDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc[nH+]cc1O ZINC000109890981 358476237 /nfs/dbraw/zinc/47/62/37/358476237.db2.gz ZQMAHQJGDXWFFD-UHFFFAOYSA-N 1 2 289.247 1.713 20 5 CDBDLO CCc1[nH]nc(C(=O)Nc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000264626262 357515256 /nfs/dbraw/zinc/51/52/56/357515256.db2.gz STMWRDLLELUCSI-UHFFFAOYSA-N 1 2 275.268 1.836 20 5 CDBDLO Cn1c[nH+]cc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000085191889 359047246 /nfs/dbraw/zinc/04/72/46/359047246.db2.gz KUBLDTWKTUSCSI-UHFFFAOYSA-N 1 2 286.089 1.336 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cn1cc[nH+]c1 ZINC000353013655 359056262 /nfs/dbraw/zinc/05/62/62/359056262.db2.gz QXCZJVDGDLYJFR-JTQLQIEISA-N 1 2 291.311 1.196 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000338997738 359268794 /nfs/dbraw/zinc/26/87/94/359268794.db2.gz ABVASGHYOWJZLP-CYBMUJFWSA-N 1 2 296.323 1.274 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000338997738 359268798 /nfs/dbraw/zinc/26/87/98/359268798.db2.gz ABVASGHYOWJZLP-CYBMUJFWSA-N 1 2 296.323 1.274 20 5 CDBDLO Cc1ccc(C[NH+]2CC(N3CCNC3=O)C2)cc1[N+](=O)[O-] ZINC000298158701 200348478 /nfs/dbraw/zinc/34/84/78/200348478.db2.gz SHUDWNXLMKYINR-UHFFFAOYSA-N 1 2 290.323 1.113 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000178212639 189098244 /nfs/dbraw/zinc/09/82/44/189098244.db2.gz ZSCYLDXAMWFZIX-VXGBXAGGSA-N 1 2 294.355 1.819 20 5 CDBDLO COCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054361667 360645261 /nfs/dbraw/zinc/64/52/61/360645261.db2.gz DVHMCBFFMVEIRG-UHFFFAOYSA-N 1 2 292.295 1.723 20 5 CDBDLO COCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054361667 360645265 /nfs/dbraw/zinc/64/52/65/360645265.db2.gz DVHMCBFFMVEIRG-UHFFFAOYSA-N 1 2 292.295 1.723 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000264284275 364872136 /nfs/dbraw/zinc/87/21/36/364872136.db2.gz PKFDDFZZLOZGJH-QWRGUYRKSA-N 1 2 280.328 1.511 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(OCc2c[nH+]cn2C)c1 ZINC000563957129 365360135 /nfs/dbraw/zinc/36/01/35/365360135.db2.gz HZHOIQQDVIAHBX-UHFFFAOYSA-N 1 2 263.253 1.916 20 5 CDBDLO Cn1ccnc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000270548781 366897708 /nfs/dbraw/zinc/89/77/08/366897708.db2.gz NTRUTLBYSKJCNW-UHFFFAOYSA-N 1 2 290.323 1.839 20 5 CDBDLO Cn1ccnc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000270548781 366897714 /nfs/dbraw/zinc/89/77/14/366897714.db2.gz NTRUTLBYSKJCNW-UHFFFAOYSA-N 1 2 290.323 1.839 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138660 367042818 /nfs/dbraw/zinc/04/28/18/367042818.db2.gz AZFDNLHHNAGOGE-SMDDNHRTSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138660 367042821 /nfs/dbraw/zinc/04/28/21/367042821.db2.gz AZFDNLHHNAGOGE-SMDDNHRTSA-N 1 2 296.323 1.055 20 5 CDBDLO CO[C@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000330434301 374853986 /nfs/dbraw/zinc/85/39/86/374853986.db2.gz AAZPPWGCUAIXKA-STQMWFEESA-N 1 2 282.296 1.146 20 5 CDBDLO C[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1=O ZINC000331176867 374904736 /nfs/dbraw/zinc/90/47/36/374904736.db2.gz QBAJRNWLNBKOCI-VXGBXAGGSA-N 1 2 296.392 1.979 20 5 CDBDLO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)nc1 ZINC000354571253 375725891 /nfs/dbraw/zinc/72/58/91/375725891.db2.gz DTWFVJMEOPFOKT-UHFFFAOYSA-N 1 2 270.252 1.067 20 5 CDBDLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000133799871 375837317 /nfs/dbraw/zinc/83/73/17/375837317.db2.gz DKLUGLYGNLYTOO-UHFFFAOYSA-N 1 2 289.295 1.914 20 5 CDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000347639371 376648972 /nfs/dbraw/zinc/64/89/72/376648972.db2.gz FCZJGJLMAUSQFM-JTQLQIEISA-N 1 2 297.311 1.028 20 5 CDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000347639371 376648977 /nfs/dbraw/zinc/64/89/77/376648977.db2.gz FCZJGJLMAUSQFM-JTQLQIEISA-N 1 2 297.311 1.028 20 5 CDBDLO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@@H+]1C ZINC000345325917 377934936 /nfs/dbraw/zinc/93/49/36/377934936.db2.gz SCAOVWJEZIKNHP-GXSJLCMTSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@H+]1C ZINC000345325917 377934943 /nfs/dbraw/zinc/93/49/43/377934943.db2.gz SCAOVWJEZIKNHP-GXSJLCMTSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cn1cc[nH+]c1 ZINC000267022215 379373600 /nfs/dbraw/zinc/37/36/00/379373600.db2.gz CZBZCYLNDZLBDR-VIFPVBQESA-N 1 2 277.284 1.186 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000449790551 251025791 /nfs/dbraw/zinc/02/57/91/251025791.db2.gz LJPUIAXHKQYQDP-NSHDSACASA-N 1 2 280.324 1.895 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449790551 251025794 /nfs/dbraw/zinc/02/57/94/251025794.db2.gz LJPUIAXHKQYQDP-NSHDSACASA-N 1 2 280.324 1.895 20 5 CDBDLO C[C@@H](O)CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000304334209 533610718 /nfs/dbraw/zinc/61/07/18/533610718.db2.gz WFYPLABZPPENKT-SECBINFHSA-N 1 2 256.277 1.937 20 5 CDBDLO C[C@@H](O)CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000304334209 533610720 /nfs/dbraw/zinc/61/07/20/533610720.db2.gz WFYPLABZPPENKT-SECBINFHSA-N 1 2 256.277 1.937 20 5 CDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106471 391618617 /nfs/dbraw/zinc/61/86/17/391618617.db2.gz GRXLQADZDVYQMO-AYLIAGHASA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106471 391618620 /nfs/dbraw/zinc/61/86/20/391618620.db2.gz GRXLQADZDVYQMO-AYLIAGHASA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262369181 131214888 /nfs/dbraw/zinc/21/48/88/131214888.db2.gz LLUKFUCCGSIZON-WCBMZHEXSA-N 1 2 279.296 1.028 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263951903 131367345 /nfs/dbraw/zinc/36/73/45/131367345.db2.gz PPOUOBIOBCCOOG-VIFPVBQESA-N 1 2 289.295 1.666 20 5 CDBDLO Cc1cccc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000218823390 392977764 /nfs/dbraw/zinc/97/77/64/392977764.db2.gz WQRVKYRSPLKONS-UHFFFAOYSA-N 1 2 265.313 1.647 20 5 CDBDLO CC(C)CO[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332600917 393154453 /nfs/dbraw/zinc/15/44/53/393154453.db2.gz ATROLJCHWNUSOZ-NSHDSACASA-N 1 2 282.344 1.575 20 5 CDBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332600917 393154454 /nfs/dbraw/zinc/15/44/54/393154454.db2.gz ATROLJCHWNUSOZ-NSHDSACASA-N 1 2 282.344 1.575 20 5 CDBDLO CO[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1OC ZINC000313448410 149243889 /nfs/dbraw/zinc/24/38/89/149243889.db2.gz BRUDHRNWEOTKNR-CHWSQXEVSA-N 1 2 284.287 1.580 20 5 CDBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000358291804 157910686 /nfs/dbraw/zinc/91/06/86/157910686.db2.gz UHXXYFVSDZXETR-UHFFFAOYSA-N 1 2 274.280 1.565 20 5 CDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCNC1=O ZINC000362201136 159096662 /nfs/dbraw/zinc/09/66/62/159096662.db2.gz UAOJKJVPKLHZIS-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCNC1=O ZINC000362201136 159096664 /nfs/dbraw/zinc/09/66/64/159096664.db2.gz UAOJKJVPKLHZIS-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363820950 159343279 /nfs/dbraw/zinc/34/32/79/159343279.db2.gz KJGFYUPILCZIBA-GXFFZTMASA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000363820950 159343282 /nfs/dbraw/zinc/34/32/82/159343282.db2.gz KJGFYUPILCZIBA-GXFFZTMASA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044535660 175198333 /nfs/dbraw/zinc/19/83/33/175198333.db2.gz PLRGRVCQYPVLJV-VIFPVBQESA-N 1 2 299.352 1.107 20 5 CDBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000274016322 277759692 /nfs/dbraw/zinc/75/96/92/277759692.db2.gz VQVFBNLJTRFWNP-PWSUYJOCSA-N 1 2 288.311 1.669 20 5 CDBDLO CC(C)[C@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232721498 280237876 /nfs/dbraw/zinc/23/78/76/280237876.db2.gz ONABYHPCPYIYCH-VIFPVBQESA-N 1 2 267.285 1.470 20 5 CDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000157229093 290138747 /nfs/dbraw/zinc/13/87/47/290138747.db2.gz NLNXGZVTAISRFJ-SMDDNHRTSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000157229093 290138751 /nfs/dbraw/zinc/13/87/51/290138751.db2.gz NLNXGZVTAISRFJ-SMDDNHRTSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286470290 300425767 /nfs/dbraw/zinc/42/57/67/300425767.db2.gz VTFSIIVMFRDNEA-QWHCGFSZSA-N 1 2 291.351 1.894 20 5 CDBDLO Cn1cc[nH+]c1[C@H]1N(c2c([N+](=O)[O-])ncn2C)CC1(C)C ZINC000296207284 303011183 /nfs/dbraw/zinc/01/11/83/303011183.db2.gz FUOLAIWTAJUDGY-SECBINFHSA-N 1 2 290.327 1.649 20 5 CDBDLO CC(=O)NCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000577507666 317345909 /nfs/dbraw/zinc/34/59/09/317345909.db2.gz PDFNPUSELTYLNZ-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO CC(=O)NCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000577507666 317345911 /nfs/dbraw/zinc/34/59/11/317345911.db2.gz PDFNPUSELTYLNZ-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO C[N@H+](CC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000015367827 522466907 /nfs/dbraw/zinc/46/69/07/522466907.db2.gz NESKEFOOIGCKAM-UHFFFAOYSA-N 1 2 263.297 1.305 20 5 CDBDLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000015367827 522466936 /nfs/dbraw/zinc/46/69/36/522466936.db2.gz NESKEFOOIGCKAM-UHFFFAOYSA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+](C)C1CC1 ZINC000069534535 524465259 /nfs/dbraw/zinc/46/52/59/524465259.db2.gz KLZPEEJJYTUENX-SECBINFHSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+](C)C1CC1 ZINC000069534535 524465268 /nfs/dbraw/zinc/46/52/68/524465268.db2.gz KLZPEEJJYTUENX-SECBINFHSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339202834 525776035 /nfs/dbraw/zinc/77/60/35/525776035.db2.gz TYAVNIKQGFRPJT-VIFPVBQESA-N 1 2 252.270 1.170 20 5 CDBDLO C[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339202834 525776048 /nfs/dbraw/zinc/77/60/48/525776048.db2.gz TYAVNIKQGFRPJT-VIFPVBQESA-N 1 2 252.270 1.170 20 5 CDBDLO O=c1c([N+](=O)[O-])cccn1Cc1[nH+]ccn1C(F)F ZINC000338636957 527455262 /nfs/dbraw/zinc/45/52/62/527455262.db2.gz LHGSQURBNZLQEN-UHFFFAOYSA-N 1 2 270.195 1.396 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)cnc1-n1c[nH+]c(CCCO)c1 ZINC000771917512 575635680 /nfs/dbraw/zinc/63/56/80/575635680.db2.gz PRBDJCZUUPIWQL-UHFFFAOYSA-N 1 2 282.687 1.754 20 5 CDBDLO COC(=O)[C@H]1CC12CC[NH+](Cn1nccc1[N+](=O)[O-])CC2 ZINC000733792615 575138372 /nfs/dbraw/zinc/13/83/72/575138372.db2.gz RBGQNKYJAYNSIA-SNVBAGLBSA-N 1 2 294.311 1.024 20 5 CDBDLO O=[N+]([O-])c1cnn(CN2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159445 576045148 /nfs/dbraw/zinc/04/51/48/576045148.db2.gz SRZLYIZVOXRJSN-NSHDSACASA-N 1 2 276.300 1.282 20 5 CDBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])o1 ZINC000753895336 576864879 /nfs/dbraw/zinc/86/48/79/576864879.db2.gz KZQSJCRGXIDPLS-AOOOYVTPSA-N 1 2 296.279 1.208 20 5 CDBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])o1 ZINC000753895336 576864880 /nfs/dbraw/zinc/86/48/80/576864880.db2.gz KZQSJCRGXIDPLS-AOOOYVTPSA-N 1 2 296.279 1.208 20 5 CDBDLO COc1ccc(C[N@@H+]2CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000934027044 617852251 /nfs/dbraw/zinc/85/22/51/617852251.db2.gz QOZUSUPXOPHIIX-JTQLQIEISA-N 1 2 252.270 1.170 20 5 CDBDLO COc1ccc(C[N@H+]2CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000934027044 617852252 /nfs/dbraw/zinc/85/22/52/617852252.db2.gz QOZUSUPXOPHIIX-JTQLQIEISA-N 1 2 252.270 1.170 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000905255831 626707819 /nfs/dbraw/zinc/70/78/19/626707819.db2.gz NUPZUOQQUHXVLB-UHFFFAOYSA-N 1 2 267.304 1.792 20 5 CDBDLO CON(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032140071 631538796 /nfs/dbraw/zinc/53/87/96/631538796.db2.gz UISOKSURYSQBDK-UHFFFAOYSA-N 1 2 276.252 1.414 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnon1 ZINC000852038006 828345452 /nfs/dbraw/zinc/34/54/52/828345452.db2.gz GGIPLCDTCRDQIM-UHFFFAOYSA-N 1 2 262.269 1.652 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnon1 ZINC000852038006 828345464 /nfs/dbraw/zinc/34/54/64/828345464.db2.gz GGIPLCDTCRDQIM-UHFFFAOYSA-N 1 2 262.269 1.652 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000878646214 824124958 /nfs/dbraw/zinc/12/49/58/824124958.db2.gz UOJMKCJNJMUKPH-SNVBAGLBSA-N 1 2 296.327 1.126 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000878646214 824124961 /nfs/dbraw/zinc/12/49/61/824124961.db2.gz UOJMKCJNJMUKPH-SNVBAGLBSA-N 1 2 296.327 1.126 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000872772444 824237773 /nfs/dbraw/zinc/23/77/73/824237773.db2.gz VFYGUPUSIHPQLG-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000872772444 824237782 /nfs/dbraw/zinc/23/77/82/824237782.db2.gz VFYGUPUSIHPQLG-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886337975 824482683 /nfs/dbraw/zinc/48/26/83/824482683.db2.gz FRNJSSDTNBUOAO-AOOOYVTPSA-N 1 2 261.281 1.485 20 5 CDBDLO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886337975 824482685 /nfs/dbraw/zinc/48/26/85/824482685.db2.gz FRNJSSDTNBUOAO-AOOOYVTPSA-N 1 2 261.281 1.485 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000793747594 825969298 /nfs/dbraw/zinc/96/92/98/825969298.db2.gz XHNOFAJPAHVIGE-LBPRGKRZSA-N 1 2 280.328 1.497 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000793747594 825969311 /nfs/dbraw/zinc/96/93/11/825969311.db2.gz XHNOFAJPAHVIGE-LBPRGKRZSA-N 1 2 280.328 1.497 20 5 CDBDLO CO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000840128034 826841106 /nfs/dbraw/zinc/84/11/06/826841106.db2.gz UMEFNTALUYPYNU-MWLCHTKSSA-N 1 2 254.290 1.106 20 5 CDBDLO CO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000840128034 826841107 /nfs/dbraw/zinc/84/11/07/826841107.db2.gz UMEFNTALUYPYNU-MWLCHTKSSA-N 1 2 254.290 1.106 20 5 CDBDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000175350995 826880406 /nfs/dbraw/zinc/88/04/06/826880406.db2.gz AGMFJGLTFGISLQ-UHFFFAOYSA-N 1 2 289.295 1.181 20 5 CDBDLO CC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000192992549 827571286 /nfs/dbraw/zinc/57/12/86/827571286.db2.gz IKXPJHGCQJPXJG-UHFFFAOYSA-N 1 2 289.291 1.633 20 5 CDBDLO CC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000192992549 827571300 /nfs/dbraw/zinc/57/13/00/827571300.db2.gz IKXPJHGCQJPXJG-UHFFFAOYSA-N 1 2 289.291 1.633 20 5 CDBDLO C[NH+]1CC(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094498 909136410 /nfs/dbraw/zinc/13/64/10/909136410.db2.gz AAZRXJQYGILCQL-UHFFFAOYSA-N 1 2 267.241 1.334 20 5 CDBDLO Nc1cc(CNc2ccc([N+](=O)[O-])c(N)n2)cc[nH+]1 ZINC001156756862 938414822 /nfs/dbraw/zinc/41/48/22/938414822.db2.gz INAYQVUFGVKPOO-UHFFFAOYSA-N 1 2 260.257 1.161 20 5 CDBDLO Cc1cc(NC(=O)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001159513943 938737982 /nfs/dbraw/zinc/73/79/82/938737982.db2.gz YBEONJYYFHXATP-UHFFFAOYSA-N 1 2 260.253 1.738 20 5 CDBDLO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001231260601 942836837 /nfs/dbraw/zinc/83/68/37/942836837.db2.gz UKWRMDKFYLZHTO-LLVKDONJSA-N 1 2 279.296 1.477 20 5 CDBDLO O=C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601091 947549292 /nfs/dbraw/zinc/54/92/92/947549292.db2.gz ZCXBYAATCABENX-CYBMUJFWSA-N 1 2 260.293 1.727 20 5 CDBDLO Cc1nnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1C ZINC001329111878 955695429 /nfs/dbraw/zinc/69/54/29/955695429.db2.gz CCKBSODAKSSPHP-GFCCVEGCSA-N 1 2 287.323 1.809 20 5 CDBDLO O=[N+]([O-])c1ncccc1CSCC[NH+]1CCOCC1 ZINC001332319306 957516438 /nfs/dbraw/zinc/51/64/38/957516438.db2.gz HWIOYHMIZPTWPR-UHFFFAOYSA-N 1 2 283.353 1.555 20 5 CDBDLO C[N@@H+]1CCO[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001323899910 961035526 /nfs/dbraw/zinc/03/55/26/961035526.db2.gz IGTYSKOWQSESPX-NSHDSACASA-N 1 2 290.279 1.648 20 5 CDBDLO C[N@H+]1CCO[C@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001323899910 961035547 /nfs/dbraw/zinc/03/55/47/961035547.db2.gz IGTYSKOWQSESPX-NSHDSACASA-N 1 2 290.279 1.648 20 5 CDBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1C ZINC001324288873 961285044 /nfs/dbraw/zinc/28/50/44/961285044.db2.gz RSWCGIGWUUEBDQ-MRVPVSSYSA-N 1 2 290.327 1.465 20 5 CDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000126216583 187224723 /nfs/dbraw/zinc/22/47/23/187224723.db2.gz OODGUQQYGKZUIG-HOGDKLEQSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000126216583 187224725 /nfs/dbraw/zinc/22/47/25/187224725.db2.gz OODGUQQYGKZUIG-HOGDKLEQSA-N 1 2 288.344 1.933 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000619531778 349792930 /nfs/dbraw/zinc/79/29/30/349792930.db2.gz MBJUANZWGKSBOA-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000619531778 349792933 /nfs/dbraw/zinc/79/29/33/349792933.db2.gz MBJUANZWGKSBOA-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO Nc1nc(NCCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000076268027 342320415 /nfs/dbraw/zinc/32/04/15/342320415.db2.gz VKLRPQGKSXINMC-UHFFFAOYSA-N 1 2 299.294 1.498 20 5 CDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000596434914 343320880 /nfs/dbraw/zinc/32/08/80/343320880.db2.gz YVJMQVHLGZFNAG-MNOVXSKESA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000596434914 343320882 /nfs/dbraw/zinc/32/08/82/343320882.db2.gz YVJMQVHLGZFNAG-MNOVXSKESA-N 1 2 280.328 1.511 20 5 CDBDLO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000602526276 344454511 /nfs/dbraw/zinc/45/45/11/344454511.db2.gz GVUHKULHXVYEDM-LBPRGKRZSA-N 1 2 293.323 1.370 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000602781528 344596395 /nfs/dbraw/zinc/59/63/95/344596395.db2.gz AMMPLUUZGJUHPV-NXEZZACHSA-N 1 2 268.317 1.209 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000602781528 344596397 /nfs/dbraw/zinc/59/63/97/344596397.db2.gz AMMPLUUZGJUHPV-NXEZZACHSA-N 1 2 268.317 1.209 20 5 CDBDLO O=C(CCCn1cc[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000604527907 344899602 /nfs/dbraw/zinc/89/96/02/344899602.db2.gz QJJVJNBHVLVXKQ-UHFFFAOYSA-N 1 2 288.307 1.888 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265976856 362633777 /nfs/dbraw/zinc/63/37/77/362633777.db2.gz CDZPUFLXGQXIHK-SECBINFHSA-N 1 2 252.270 1.588 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265976856 362633780 /nfs/dbraw/zinc/63/37/80/362633780.db2.gz CDZPUFLXGQXIHK-SECBINFHSA-N 1 2 252.270 1.588 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(N2CCn3cc[nH+]c3C2)c1 ZINC000610277590 346240861 /nfs/dbraw/zinc/24/08/61/346240861.db2.gz IIKSZYXNKLAMKZ-UHFFFAOYSA-N 1 2 274.280 1.820 20 5 CDBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000061785130 348911304 /nfs/dbraw/zinc/91/13/04/348911304.db2.gz DVDVEQGJHQIWJT-UHFFFAOYSA-N 1 2 251.286 1.115 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000061785130 348911306 /nfs/dbraw/zinc/91/13/06/348911306.db2.gz DVDVEQGJHQIWJT-UHFFFAOYSA-N 1 2 251.286 1.115 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1[nH]cc[nH+]1 ZINC000616012919 349241393 /nfs/dbraw/zinc/24/13/93/349241393.db2.gz CAZGIZULBDKNJC-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO COc1cc(NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000111050340 186347906 /nfs/dbraw/zinc/34/79/06/186347906.db2.gz FCVYWZBBQXEEJJ-UHFFFAOYSA-N 1 2 262.269 1.949 20 5 CDBDLO Cc1c(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000157241360 188304965 /nfs/dbraw/zinc/30/49/65/188304965.db2.gz KHNBMJSZZPCQAL-BXUZGUMPSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1c(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000157241360 188304967 /nfs/dbraw/zinc/30/49/67/188304967.db2.gz KHNBMJSZZPCQAL-BXUZGUMPSA-N 1 2 294.351 1.875 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ncccc1[N+](=O)[O-] ZINC000048289372 356775455 /nfs/dbraw/zinc/77/54/55/356775455.db2.gz GZCZVORKJPSPJG-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO CCn1cc[nH+]c1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000294874388 199226087 /nfs/dbraw/zinc/22/60/87/199226087.db2.gz BJVZLMOSPPPGRW-UHFFFAOYSA-N 1 2 264.289 1.465 20 5 CDBDLO Cc1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000120330196 358742434 /nfs/dbraw/zinc/74/24/34/358742434.db2.gz BTPZTKYZGHEVAL-UHFFFAOYSA-N 1 2 277.324 1.614 20 5 CDBDLO Cc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000120330196 358742437 /nfs/dbraw/zinc/74/24/37/358742437.db2.gz BTPZTKYZGHEVAL-UHFFFAOYSA-N 1 2 277.324 1.614 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290462298 366519097 /nfs/dbraw/zinc/51/90/97/366519097.db2.gz FLYLCBDIAGTNPN-VIFPVBQESA-N 1 2 261.285 1.874 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](C)[NH+]1CCOCC1 ZINC000104590998 358959810 /nfs/dbraw/zinc/95/98/10/358959810.db2.gz VAMXJGNMAHKVSL-NXEZZACHSA-N 1 2 297.311 1.027 20 5 CDBDLO COC[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339004675 359268679 /nfs/dbraw/zinc/26/86/79/359268679.db2.gz WUMMYQMDJJHXJS-JTQLQIEISA-N 1 2 266.297 1.769 20 5 CDBDLO CCOC(=O)C(C)(C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000339786890 359444824 /nfs/dbraw/zinc/44/48/24/359444824.db2.gz JRRGHWDHNIVHBK-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO CCOC(=O)C(C)(C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000339786890 359444829 /nfs/dbraw/zinc/44/48/29/359444829.db2.gz JRRGHWDHNIVHBK-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000088753455 366555085 /nfs/dbraw/zinc/55/50/85/366555085.db2.gz WLKZPILHGPUXNJ-UHFFFAOYSA-N 1 2 280.671 1.901 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000088753455 366555093 /nfs/dbraw/zinc/55/50/93/366555093.db2.gz WLKZPILHGPUXNJ-UHFFFAOYSA-N 1 2 280.671 1.901 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347943717 359956964 /nfs/dbraw/zinc/95/69/64/359956964.db2.gz VXKGPRPMZPZXBI-SECBINFHSA-N 1 2 275.268 1.623 20 5 CDBDLO CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032480962 360818405 /nfs/dbraw/zinc/81/84/05/360818405.db2.gz OXCLHOFWCHAVSO-UHFFFAOYSA-N 1 2 274.280 1.920 20 5 CDBDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000179594060 189205552 /nfs/dbraw/zinc/20/55/52/189205552.db2.gz HLGITPGDEAAQAP-LBPRGKRZSA-N 1 2 275.312 1.964 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267639645 361242073 /nfs/dbraw/zinc/24/20/73/361242073.db2.gz INUNSUOFQVUDCB-WDEREUQCSA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267639645 361242077 /nfs/dbraw/zinc/24/20/77/361242077.db2.gz INUNSUOFQVUDCB-WDEREUQCSA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367102120 364813785 /nfs/dbraw/zinc/81/37/85/364813785.db2.gz GINRHQWAJBNWPZ-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367102120 364813788 /nfs/dbraw/zinc/81/37/88/364813788.db2.gz GINRHQWAJBNWPZ-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1n1cc[nH+]c1 ZINC000268290213 299988273 /nfs/dbraw/zinc/98/82/73/299988273.db2.gz UOAJFYGIPQPPRB-QWRGUYRKSA-N 1 2 290.327 1.612 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000269632486 373242360 /nfs/dbraw/zinc/24/23/60/373242360.db2.gz FZVHCLVJLDHAMO-RBSFLKMASA-N 1 2 292.335 1.882 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000269632486 373242364 /nfs/dbraw/zinc/24/23/64/373242364.db2.gz FZVHCLVJLDHAMO-RBSFLKMASA-N 1 2 292.335 1.882 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000273149997 373707005 /nfs/dbraw/zinc/70/70/05/373707005.db2.gz HHTUYVQJJVVZDF-JTQLQIEISA-N 1 2 274.284 1.840 20 5 CDBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000531831276 374511188 /nfs/dbraw/zinc/51/11/88/374511188.db2.gz XOTMQCFFRSYUFW-UHFFFAOYSA-N 1 2 259.269 1.556 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429153776 374571458 /nfs/dbraw/zinc/57/14/58/374571458.db2.gz WUSMILGWDMFPKJ-UHFFFAOYSA-N 1 2 285.731 1.946 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000429153776 374571463 /nfs/dbraw/zinc/57/14/63/374571463.db2.gz WUSMILGWDMFPKJ-UHFFFAOYSA-N 1 2 285.731 1.946 20 5 CDBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154771624 374749414 /nfs/dbraw/zinc/74/94/14/374749414.db2.gz BGUCFJQLXIYTTH-MWLCHTKSSA-N 1 2 266.301 1.121 20 5 CDBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154771624 374749421 /nfs/dbraw/zinc/74/94/21/374749421.db2.gz BGUCFJQLXIYTTH-MWLCHTKSSA-N 1 2 266.301 1.121 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000428127296 247246623 /nfs/dbraw/zinc/24/66/23/247246623.db2.gz XRWDPLVNLRGFKB-UHFFFAOYSA-N 1 2 265.248 1.676 20 5 CDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000428367564 247288381 /nfs/dbraw/zinc/28/83/81/247288381.db2.gz SVTFWGRHRKSJBW-JTQLQIEISA-N 1 2 286.291 1.536 20 5 CDBDLO Cc1c(CNC(=O)CCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000357162473 375889539 /nfs/dbraw/zinc/88/95/39/375889539.db2.gz HXHWSDCENQISOS-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO O=[N+]([O-])c1cccc2ncnc(NCCn3cc[nH+]c3)c21 ZINC000347398183 376090343 /nfs/dbraw/zinc/09/03/43/376090343.db2.gz HLHNFGYMWGRGLH-UHFFFAOYSA-N 1 2 284.279 1.269 20 5 CDBDLO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC ZINC000171401313 376571149 /nfs/dbraw/zinc/57/11/49/376571149.db2.gz HIMPXWSNNJKBMT-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC ZINC000171401313 376571151 /nfs/dbraw/zinc/57/11/51/376571151.db2.gz HIMPXWSNNJKBMT-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO CNC(=O)CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000171670533 376913184 /nfs/dbraw/zinc/91/31/84/376913184.db2.gz RYADDTQQPJDULI-UHFFFAOYSA-N 1 2 269.276 1.302 20 5 CDBDLO CNC(=O)CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000171670533 376913193 /nfs/dbraw/zinc/91/31/93/376913193.db2.gz RYADDTQQPJDULI-UHFFFAOYSA-N 1 2 269.276 1.302 20 5 CDBDLO CCc1[nH]nc(C(=O)Nc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000345198075 377538157 /nfs/dbraw/zinc/53/81/57/377538157.db2.gz IFYJLHBEXBEAGO-UHFFFAOYSA-N 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CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174811059 393436190 /nfs/dbraw/zinc/43/61/90/393436190.db2.gz WOUAJBASXIOYFF-UHFFFAOYSA-N 1 2 285.731 1.768 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174811059 393436191 /nfs/dbraw/zinc/43/61/91/393436191.db2.gz WOUAJBASXIOYFF-UHFFFAOYSA-N 1 2 285.731 1.768 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000349654544 296514224 /nfs/dbraw/zinc/51/42/24/296514224.db2.gz JSSFKPNSQLFVPL-UHFFFAOYSA-N 1 2 288.311 1.281 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352669551 155344842 /nfs/dbraw/zinc/34/48/42/155344842.db2.gz AURBWSXJSQIUDO-LBPRGKRZSA-N 1 2 293.323 1.266 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352669551 155344845 /nfs/dbraw/zinc/34/48/45/155344845.db2.gz AURBWSXJSQIUDO-LBPRGKRZSA-N 1 2 293.323 1.266 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000343701825 152272005 /nfs/dbraw/zinc/27/20/05/152272005.db2.gz 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1.875 20 5 CDBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153759553 482749663 /nfs/dbraw/zinc/74/96/63/482749663.db2.gz GYBDRCKXZPVRIL-LLVKDONJSA-N 1 2 288.307 1.857 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000048550884 524790645 /nfs/dbraw/zinc/79/06/45/524790645.db2.gz SLJXZWRISIDTMP-SECBINFHSA-N 1 2 289.295 1.192 20 5 CDBDLO CC1(C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000735296995 575448665 /nfs/dbraw/zinc/44/86/65/575448665.db2.gz AFJDDDCDFCZSNK-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO CC1(C)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000735296995 575448668 /nfs/dbraw/zinc/44/86/68/575448668.db2.gz AFJDDDCDFCZSNK-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO Cc1c(CC(=O)OCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000772013841 575649691 /nfs/dbraw/zinc/64/96/91/575649691.db2.gz PASSPOAUUNXGMR-UHFFFAOYSA-N 1 2 289.291 1.886 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000768905326 576316811 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CC[C@@H](C[NH+]1CCOCC1)Nc1cccnc1[N+](=O)[O-] ZINC000895801433 619851236 /nfs/dbraw/zinc/85/12/36/619851236.db2.gz PMODJNYEBNTAMX-NSHDSACASA-N 1 2 280.328 1.513 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000905034128 626377263 /nfs/dbraw/zinc/37/72/63/626377263.db2.gz JBPRSOHMUSNPCI-UHFFFAOYSA-N 1 2 279.218 1.389 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000135811022 832209128 /nfs/dbraw/zinc/20/91/28/832209128.db2.gz ONQZOQXQAOIYQX-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO CC(C)c1[nH]nc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000796252795 828843199 /nfs/dbraw/zinc/84/31/99/828843199.db2.gz HCPFZLXDYPQFEX-UHFFFAOYSA-N 1 2 293.283 1.495 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000041120028 828860958 /nfs/dbraw/zinc/86/09/58/828860958.db2.gz PZURYMYBMISHGB-UHFFFAOYSA-N 1 2 278.243 1.360 20 5 CDBDLO C[N@@H+]1CC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000712540954 829341540 /nfs/dbraw/zinc/34/15/40/829341540.db2.gz DEGXWYDOCABYRX-SSDOTTSWSA-N 1 2 257.240 1.989 20 5 CDBDLO C[N@H+]1CC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000712540954 829341549 /nfs/dbraw/zinc/34/15/49/829341549.db2.gz DEGXWYDOCABYRX-SSDOTTSWSA-N 1 2 257.240 1.989 20 5 CDBDLO Nc1cc(COC(=O)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000787570130 829856318 /nfs/dbraw/zinc/85/63/18/829856318.db2.gz FWQQCQMPRKTSFE-UHFFFAOYSA-N 1 2 287.275 1.858 20 5 CDBDLO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000881923780 829873999 /nfs/dbraw/zinc/87/39/99/829873999.db2.gz NSYXYYZRYDALFC-UWVGGRQHSA-N 1 2 298.318 1.650 20 5 CDBDLO CC(C)(CCC(=O)N[C@H]1CCn2c[nH+]cc2C1)[N+](=O)[O-] ZINC000857941900 830198424 /nfs/dbraw/zinc/19/84/24/830198424.db2.gz PLUWJVPEFYHZMF-JTQLQIEISA-N 1 2 280.328 1.150 20 5 CDBDLO O=[N+]([O-])CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000791054681 832720863 /nfs/dbraw/zinc/72/08/63/832720863.db2.gz ONYYMQYTWSTPKS-UHFFFAOYSA-N 1 2 269.732 1.739 20 5 CDBDLO Cc1nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000779864145 832867943 /nfs/dbraw/zinc/86/79/43/832867943.db2.gz DZPMLTZDWFCOPG-GFCCVEGCSA-N 1 2 290.327 1.591 20 5 CDBDLO CCN1C[C@@H](C[N@H+](C)CC[N+](=O)[O-])Oc2ccccc21 ZINC000929190435 833776560 /nfs/dbraw/zinc/77/65/60/833776560.db2.gz ZFWIVYNWYRFYSM-GFCCVEGCSA-N 1 2 279.340 1.482 20 5 CDBDLO CCN1C[C@@H](C[N@@H+](C)CC[N+](=O)[O-])Oc2ccccc21 ZINC000929190435 833776576 /nfs/dbraw/zinc/77/65/76/833776576.db2.gz ZFWIVYNWYRFYSM-GFCCVEGCSA-N 1 2 279.340 1.482 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000872772241 834228175 /nfs/dbraw/zinc/22/81/75/834228175.db2.gz RHDOHDUYJWUEJV-NSHDSACASA-N 1 2 280.328 1.513 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000872772241 834228200 /nfs/dbraw/zinc/22/82/00/834228200.db2.gz RHDOHDUYJWUEJV-NSHDSACASA-N 1 2 280.328 1.513 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000793251011 835105189 /nfs/dbraw/zinc/10/51/89/835105189.db2.gz NVWTYDWMYCTKCY-UHFFFAOYSA-N 1 2 278.268 1.066 20 5 CDBDLO CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848108560 835596677 /nfs/dbraw/zinc/59/66/77/835596677.db2.gz PEWVKZGPBDSTMV-ZWNOBZJWSA-N 1 2 292.339 1.708 20 5 CDBDLO C[N@@H+]1CCc2c(NC3CC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001167348052 895393430 /nfs/dbraw/zinc/39/34/30/895393430.db2.gz OYWZNLJWOZDSSG-UHFFFAOYSA-N 1 2 275.308 1.726 20 5 CDBDLO C[N@H+]1CCc2c(NC3CC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001167348052 895393444 /nfs/dbraw/zinc/39/34/44/895393444.db2.gz OYWZNLJWOZDSSG-UHFFFAOYSA-N 1 2 275.308 1.726 20 5 CDBDLO COc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N)c1 ZINC001167612999 897032227 /nfs/dbraw/zinc/03/22/27/897032227.db2.gz HCFDXFRTEKIEQZ-UHFFFAOYSA-N 1 2 275.268 1.588 20 5 CDBDLO CCN(c1ncc(C)cc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157454280 938494381 /nfs/dbraw/zinc/49/43/81/938494381.db2.gz SRGWWTUERNZNEQ-UHFFFAOYSA-N 1 2 250.302 1.439 20 5 CDBDLO O=[N+]([O-])c1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157580712 938514728 /nfs/dbraw/zinc/51/47/28/938514728.db2.gz FGTVQZRDXIOYDJ-SNVBAGLBSA-N 1 2 278.312 1.265 20 5 CDBDLO O=[N+]([O-])c1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157580712 938514729 /nfs/dbraw/zinc/51/47/29/938514729.db2.gz FGTVQZRDXIOYDJ-SNVBAGLBSA-N 1 2 278.312 1.265 20 5 CDBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(C)c2F)C[NH2+]1 ZINC001164313065 939451824 /nfs/dbraw/zinc/45/18/24/939451824.db2.gz ZFUHMIOXTRMNRR-KWQFWETISA-N 1 2 297.286 1.358 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCNC(=O)C1(C)C ZINC001254561645 947525875 /nfs/dbraw/zinc/52/58/75/947525875.db2.gz HMWKUWGIJWVHNB-LLVKDONJSA-N 1 2 291.351 1.736 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCNC(=O)C1(C)C ZINC001254561645 947525889 /nfs/dbraw/zinc/52/58/89/947525889.db2.gz HMWKUWGIJWVHNB-LLVKDONJSA-N 1 2 291.351 1.736 20 5 CDBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2CO)c1[N+](=O)[O-] ZINC000595290910 343024754 /nfs/dbraw/zinc/02/47/54/343024754.db2.gz NISTYGQSTORANN-VIFPVBQESA-N 1 2 255.274 1.238 20 5 CDBDLO Cc1noc(C[N@H+]2CCCC[C@H]2CO)c1[N+](=O)[O-] ZINC000595290910 343024756 /nfs/dbraw/zinc/02/47/56/343024756.db2.gz NISTYGQSTORANN-VIFPVBQESA-N 1 2 255.274 1.238 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000595551103 343085906 /nfs/dbraw/zinc/08/59/06/343085906.db2.gz UUCDABYARWNTHH-JTQLQIEISA-N 1 2 292.299 1.320 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000595551103 343085909 /nfs/dbraw/zinc/08/59/09/343085909.db2.gz UUCDABYARWNTHH-JTQLQIEISA-N 1 2 292.299 1.320 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000363691686 362080164 /nfs/dbraw/zinc/08/01/64/362080164.db2.gz TZTWRIHTAPALNX-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000363691686 362080175 /nfs/dbraw/zinc/08/01/75/362080175.db2.gz TZTWRIHTAPALNX-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000595886570 343180794 /nfs/dbraw/zinc/18/07/94/343180794.db2.gz WVKJWXRLDGDIRD-UHFFFAOYSA-N 1 2 282.329 1.083 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000595886570 343180795 /nfs/dbraw/zinc/18/07/95/343180795.db2.gz WVKJWXRLDGDIRD-UHFFFAOYSA-N 1 2 282.329 1.083 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2c[nH+]c[nH]2)n1 ZINC000596306817 343292999 /nfs/dbraw/zinc/29/29/99/343292999.db2.gz SHFHXGGMZHGMFS-UHFFFAOYSA-N 1 2 291.267 1.136 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2c[nH]c[nH+]2)n1 ZINC000596306817 343293000 /nfs/dbraw/zinc/29/30/00/343293000.db2.gz SHFHXGGMZHGMFS-UHFFFAOYSA-N 1 2 291.267 1.136 20 5 CDBDLO Nc1ncc2c(n1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000598946675 343926511 /nfs/dbraw/zinc/92/65/11/343926511.db2.gz HVYKSLCGUFCOEW-UHFFFAOYSA-N 1 2 285.307 1.356 20 5 CDBDLO Nc1ncc2c(n1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000598946675 343926513 /nfs/dbraw/zinc/92/65/13/343926513.db2.gz HVYKSLCGUFCOEW-UHFFFAOYSA-N 1 2 285.307 1.356 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783503 344597966 /nfs/dbraw/zinc/59/79/66/344597966.db2.gz QFZBKANQIBQQCQ-LLVKDONJSA-N 1 2 268.317 1.211 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783503 344597968 /nfs/dbraw/zinc/59/79/68/344597968.db2.gz QFZBKANQIBQQCQ-LLVKDONJSA-N 1 2 268.317 1.211 20 5 CDBDLO O=C(CCn1cc[nH+]c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265648147 362500315 /nfs/dbraw/zinc/50/03/15/362500315.db2.gz WPFBPVXYSQFHJT-UHFFFAOYSA-N 1 2 286.291 1.771 20 5 CDBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1C[NH3+] ZINC000424008751 299957822 /nfs/dbraw/zinc/95/78/22/299957822.db2.gz WGBPIUAKVDVJAQ-ONGXEEELSA-N 1 2 293.323 1.357 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000610240784 346226862 /nfs/dbraw/zinc/22/68/62/346226862.db2.gz XZCIYODGPCLWNM-UHFFFAOYSA-N 1 2 286.291 1.417 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909409 346486397 /nfs/dbraw/zinc/48/63/97/346486397.db2.gz IBQISLLBCABKRL-JQWIXIFHSA-N 1 2 280.328 1.429 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909409 346486400 /nfs/dbraw/zinc/48/64/00/346486400.db2.gz IBQISLLBCABKRL-JQWIXIFHSA-N 1 2 280.328 1.429 20 5 CDBDLO Cc1cc(S(=O)(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000611157905 346623211 /nfs/dbraw/zinc/62/32/11/346623211.db2.gz NJTKIOBDUCZOEV-UHFFFAOYSA-N 1 2 296.308 1.105 20 5 CDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)CC1 ZINC000023993146 348544928 /nfs/dbraw/zinc/54/49/28/348544928.db2.gz PVGAWDKHJRBYPL-SNVBAGLBSA-N 1 2 293.323 1.379 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000016738481 348528790 /nfs/dbraw/zinc/52/87/90/348528790.db2.gz MJWKRWYPGGOEPS-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555582633 290226998 /nfs/dbraw/zinc/22/69/98/290226998.db2.gz HRBFUELIVOQAFH-NWDGAFQWSA-N 1 2 266.297 1.549 20 5 CDBDLO CCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061349245 348904931 /nfs/dbraw/zinc/90/49/31/348904931.db2.gz HIHASNZCHVEYGM-UHFFFAOYSA-N 1 2 295.339 1.691 20 5 CDBDLO CCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061349245 348904934 /nfs/dbraw/zinc/90/49/34/348904934.db2.gz HIHASNZCHVEYGM-UHFFFAOYSA-N 1 2 295.339 1.691 20 5 CDBDLO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000292040795 198142117 /nfs/dbraw/zinc/14/21/17/198142117.db2.gz IBNJOGBKBOZCSQ-VIFPVBQESA-N 1 2 281.312 1.548 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000192538627 358214108 /nfs/dbraw/zinc/21/41/08/358214108.db2.gz ZRBYANMQKRGSRV-JTQLQIEISA-N 1 2 298.368 1.352 20 5 CDBDLO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(F)F ZINC000135392523 358402055 /nfs/dbraw/zinc/40/20/55/358402055.db2.gz OFLQMNXVROUOSB-UHFFFAOYSA-N 1 2 262.260 1.767 20 5 CDBDLO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(F)F ZINC000135392523 358402059 /nfs/dbraw/zinc/40/20/59/358402059.db2.gz OFLQMNXVROUOSB-UHFFFAOYSA-N 1 2 262.260 1.767 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000566956733 358610173 /nfs/dbraw/zinc/61/01/73/358610173.db2.gz SBHPOSJCGXZCKR-SECBINFHSA-N 1 2 291.311 1.641 20 5 CDBDLO CCCCC[N@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339080995 359285051 /nfs/dbraw/zinc/28/50/51/359285051.db2.gz VXTXNIZHOZCCHG-UHFFFAOYSA-N 1 2 295.339 1.778 20 5 CDBDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339080995 359285061 /nfs/dbraw/zinc/28/50/61/359285061.db2.gz VXTXNIZHOZCCHG-UHFFFAOYSA-N 1 2 295.339 1.778 20 5 CDBDLO CC[N@H+](CCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339010132 359273750 /nfs/dbraw/zinc/27/37/50/359273750.db2.gz BKGXOYMYQSFXAT-UHFFFAOYSA-N 1 2 254.286 1.505 20 5 CDBDLO CC[N@@H+](CCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339010132 359273752 /nfs/dbraw/zinc/27/37/52/359273752.db2.gz BKGXOYMYQSFXAT-UHFFFAOYSA-N 1 2 254.286 1.505 20 5 CDBDLO O=C(C[N@H+]1CCC[C@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000339783343 359437734 /nfs/dbraw/zinc/43/77/34/359437734.db2.gz QRUWIEYLFJGNAD-NSHDSACASA-N 1 2 293.323 1.380 20 5 CDBDLO O=C(C[N@@H+]1CCC[C@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000339783343 359437736 /nfs/dbraw/zinc/43/77/36/359437736.db2.gz QRUWIEYLFJGNAD-NSHDSACASA-N 1 2 293.323 1.380 20 5 CDBDLO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000261995742 296024723 /nfs/dbraw/zinc/02/47/23/296024723.db2.gz NSJQEDYGKQSLKI-MWLCHTKSSA-N 1 2 293.323 1.500 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000301799696 201203424 /nfs/dbraw/zinc/20/34/24/201203424.db2.gz VRSQLOWYVXVWFO-NSHDSACASA-N 1 2 296.758 1.660 20 5 CDBDLO COC[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000563942205 365337097 /nfs/dbraw/zinc/33/70/97/365337097.db2.gz PHIPRAFWFAVVOB-CQSZACIVSA-N 1 2 291.307 1.952 20 5 CDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1[nH]cc[nH+]1 ZINC000140540781 367225998 /nfs/dbraw/zinc/22/59/98/367225998.db2.gz LWEQMYQAPQGLBW-MRVPVSSYSA-N 1 2 277.284 1.538 20 5 CDBDLO CCn1cc[nH+]c1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000295515041 370451642 /nfs/dbraw/zinc/45/16/42/370451642.db2.gz AGPVEGWBEWWCLR-UHFFFAOYSA-N 1 2 280.309 1.803 20 5 CDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000368313436 373157821 /nfs/dbraw/zinc/15/78/21/373157821.db2.gz CKKQECRWVPYJQI-SNAWJCMRSA-N 1 2 298.302 1.847 20 5 CDBDLO COC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114454417 374313713 /nfs/dbraw/zinc/31/37/13/374313713.db2.gz SOHVHCXFNMKEIX-GFCCVEGCSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000114454417 374313724 /nfs/dbraw/zinc/31/37/24/374313724.db2.gz SOHVHCXFNMKEIX-GFCCVEGCSA-N 1 2 294.307 1.611 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277272532 374779818 /nfs/dbraw/zinc/77/98/18/374779818.db2.gz RTLRNBHKCZPIDG-WLRWDXFRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277272532 374779827 /nfs/dbraw/zinc/77/98/27/374779827.db2.gz RTLRNBHKCZPIDG-WLRWDXFRSA-N 1 2 282.365 1.938 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000352865772 375547291 /nfs/dbraw/zinc/54/72/91/375547291.db2.gz DMGYYZUOQXAPBI-ZDUSSCGKSA-N 1 2 289.335 1.710 20 5 CDBDLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000352865772 375547293 /nfs/dbraw/zinc/54/72/93/375547293.db2.gz DMGYYZUOQXAPBI-ZDUSSCGKSA-N 1 2 289.335 1.710 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000182718770 378096015 /nfs/dbraw/zinc/09/60/15/378096015.db2.gz UIIFYGWZJTWYJG-GWCFXTLKSA-N 1 2 293.323 1.150 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000182718770 378096017 /nfs/dbraw/zinc/09/60/17/378096017.db2.gz UIIFYGWZJTWYJG-GWCFXTLKSA-N 1 2 293.323 1.150 20 5 CDBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000069847261 378914927 /nfs/dbraw/zinc/91/49/27/378914927.db2.gz RYYVAXVWKNRPBP-LLVKDONJSA-N 1 2 296.346 1.782 20 5 CDBDLO COc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000444261594 250110329 /nfs/dbraw/zinc/11/03/29/250110329.db2.gz GGAHGLIGZDDOHM-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659189 250162417 /nfs/dbraw/zinc/16/24/17/250162417.db2.gz CNBPWLVCVZJLIN-PSASIEDQSA-N 1 2 276.296 1.426 20 5 CDBDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659189 250162421 /nfs/dbraw/zinc/16/24/21/250162421.db2.gz CNBPWLVCVZJLIN-PSASIEDQSA-N 1 2 276.296 1.426 20 5 CDBDLO O=C(CCc1[nH]cc[nH+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279276780 194362976 /nfs/dbraw/zinc/36/29/76/194362976.db2.gz WCIYXHIVEQIGPW-UHFFFAOYSA-N 1 2 286.291 1.840 20 5 CDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000491827756 253099678 /nfs/dbraw/zinc/09/96/78/253099678.db2.gz JOTWOHJROVNUNN-AATRIKPKSA-N 1 2 298.302 1.888 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000507209154 254098361 /nfs/dbraw/zinc/09/83/61/254098361.db2.gz HUTYUUOIPMCQJA-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH]cc[nH+]1 ZINC000158075692 390916687 /nfs/dbraw/zinc/91/66/87/390916687.db2.gz FZYCLVZSTTXFDK-UHFFFAOYSA-N 1 2 290.279 1.647 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](CO)C3)c2c1 ZINC000413155382 391166484 /nfs/dbraw/zinc/16/64/84/391166484.db2.gz PIZAZRLBXFYDHP-JTQLQIEISA-N 1 2 273.292 1.962 20 5 CDBDLO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000416307797 391984786 /nfs/dbraw/zinc/98/47/86/391984786.db2.gz MOPZQHNGNAEWJY-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000123152408 392752822 /nfs/dbraw/zinc/75/28/22/392752822.db2.gz XCTISSDMUDDPSU-UHFFFAOYSA-N 1 2 289.295 1.992 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000493783790 393220209 /nfs/dbraw/zinc/22/02/09/393220209.db2.gz HUTXYHPBTIBJNV-SNAWJCMRSA-N 1 2 258.237 1.970 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000230009226 140206159 /nfs/dbraw/zinc/20/61/59/140206159.db2.gz ZRJGGJJAOZBLFQ-JQWIXIFHSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000230009226 140206160 /nfs/dbraw/zinc/20/61/60/140206160.db2.gz ZRJGGJJAOZBLFQ-JQWIXIFHSA-N 1 2 266.297 1.176 20 5 CDBDLO O=[N+]([O-])c1ccnn1Cc1[nH+]ccn1CC(F)(F)F ZINC000343214879 152069889 /nfs/dbraw/zinc/06/98/89/152069889.db2.gz WATSHPCNQCUGAV-UHFFFAOYSA-N 1 2 275.190 1.598 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352669550 155344147 /nfs/dbraw/zinc/34/41/47/155344147.db2.gz AURBWSXJSQIUDO-GFCCVEGCSA-N 1 2 293.323 1.266 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352669550 155344152 /nfs/dbraw/zinc/34/41/52/155344152.db2.gz AURBWSXJSQIUDO-GFCCVEGCSA-N 1 2 293.323 1.266 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000359482293 158260651 /nfs/dbraw/zinc/26/06/51/158260651.db2.gz MBJVUJSBGSRKMB-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO Cc1c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363840679 159345926 /nfs/dbraw/zinc/34/59/26/159345926.db2.gz FXSDRLJIVZEYCR-GFCCVEGCSA-N 1 2 291.307 1.540 20 5 CDBDLO Cc1c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363840679 159345928 /nfs/dbraw/zinc/34/59/28/159345928.db2.gz FXSDRLJIVZEYCR-GFCCVEGCSA-N 1 2 291.307 1.540 20 5 CDBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000078543604 177352311 /nfs/dbraw/zinc/35/23/11/177352311.db2.gz UIJRZZYVQSJPLN-NSHDSACASA-N 1 2 296.346 1.782 20 5 CDBDLO [NH3+][C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCC1 ZINC000399176618 270369485 /nfs/dbraw/zinc/36/94/85/270369485.db2.gz HZJHYHGWERNSMN-NSHDSACASA-N 1 2 265.269 1.366 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156416605 289264634 /nfs/dbraw/zinc/26/46/34/289264634.db2.gz UPIRAFYSNXALGM-LLVKDONJSA-N 1 2 293.323 1.184 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156416605 289264636 /nfs/dbraw/zinc/26/46/36/289264636.db2.gz UPIRAFYSNXALGM-LLVKDONJSA-N 1 2 293.323 1.184 20 5 CDBDLO CN(C)c1nccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000345714871 289436875 /nfs/dbraw/zinc/43/68/75/289436875.db2.gz ZRUMVNFDFKFSAS-UHFFFAOYSA-N 1 2 293.352 1.802 20 5 CDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000548742019 289923657 /nfs/dbraw/zinc/92/36/57/289923657.db2.gz WLBFUVBBEHRTHN-SECBINFHSA-N 1 2 290.283 1.408 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000557569022 290353218 /nfs/dbraw/zinc/35/32/18/290353218.db2.gz ABUVBIGPOIUCDC-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000557569022 290353219 /nfs/dbraw/zinc/35/32/19/290353219.db2.gz ABUVBIGPOIUCDC-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO CCOc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338586213 520700612 /nfs/dbraw/zinc/70/06/12/520700612.db2.gz ADTOUDXUNXNXGK-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO CCOc1cc(C[N@H+]2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338586213 520700622 /nfs/dbraw/zinc/70/06/22/520700622.db2.gz ADTOUDXUNXNXGK-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO Cc1nn(C)c(N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000049235977 527679049 /nfs/dbraw/zinc/67/90/49/527679049.db2.gz LNWUMQRCVOJYQZ-QMMMGPOBSA-N 1 2 264.289 1.334 20 5 CDBDLO O=C1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCN1 ZINC000769108300 576330519 /nfs/dbraw/zinc/33/05/19/576330519.db2.gz MOLNHGVNHWAQAN-UTCJRWHESA-N 1 2 275.308 1.430 20 5 CDBDLO O=C1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCN1 ZINC000769108300 576330521 /nfs/dbraw/zinc/33/05/21/576330521.db2.gz MOLNHGVNHWAQAN-UTCJRWHESA-N 1 2 275.308 1.430 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761504972 576579843 /nfs/dbraw/zinc/57/98/43/576579843.db2.gz BNGDBSMSHMAIFS-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761504972 576579844 /nfs/dbraw/zinc/57/98/44/576579844.db2.gz BNGDBSMSHMAIFS-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CNc1ccc(C(=O)OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000754685497 576910829 /nfs/dbraw/zinc/91/08/29/576910829.db2.gz GCJPJLTXDXAOAI-UHFFFAOYSA-N 1 2 290.279 1.727 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N1CCC(n2cc[nH+]c2)CC1 ZINC000892159109 617514805 /nfs/dbraw/zinc/51/48/05/617514805.db2.gz HMOKBRQBYDLKKR-UHFFFAOYSA-N 1 2 276.300 1.366 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nccc(C)c1[N+](=O)[O-] ZINC000895804343 619853462 /nfs/dbraw/zinc/85/34/62/619853462.db2.gz KAMKVJCXTJFXSR-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO C[N@@H+]1CC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000712529136 836038474 /nfs/dbraw/zinc/03/84/74/836038474.db2.gz MWEYKKHOSUIWPN-ZETCQYMHSA-N 1 2 256.693 1.181 20 5 CDBDLO C[N@H+]1CC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000712529136 836038500 /nfs/dbraw/zinc/03/85/00/836038500.db2.gz MWEYKKHOSUIWPN-ZETCQYMHSA-N 1 2 256.693 1.181 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000104082720 836127105 /nfs/dbraw/zinc/12/71/05/836127105.db2.gz OSDOJWWVXZUZBU-UHFFFAOYSA-N 1 2 264.281 1.544 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000104082720 836127113 /nfs/dbraw/zinc/12/71/13/836127113.db2.gz OSDOJWWVXZUZBU-UHFFFAOYSA-N 1 2 264.281 1.544 20 5 CDBDLO C[C@H]([C@H](C)Nc1ccnc(F)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000881923781 836436997 /nfs/dbraw/zinc/43/69/97/836436997.db2.gz NSYXYYZRYDALFC-VHSXEESVSA-N 1 2 298.318 1.650 20 5 CDBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840283101 836945659 /nfs/dbraw/zinc/94/56/59/836945659.db2.gz SAMUYEBDNOKJOW-MXWKQRLJSA-N 1 2 280.328 1.079 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CO)c1ccsc1 ZINC000886138786 836969192 /nfs/dbraw/zinc/96/91/92/836969192.db2.gz TYNOLHAATBSLIN-LLVKDONJSA-N 1 2 279.321 1.875 20 5 CDBDLO Cc1nn(C[NH+](C2CC2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000863303903 839610496 /nfs/dbraw/zinc/61/04/96/839610496.db2.gz HMJOQXUMYQFANU-UHFFFAOYSA-N 1 2 250.302 1.992 20 5 CDBDLO C[C@@H](CC(=O)OCCn1ccc([N+](=O)[O-])n1)n1cc[nH+]c1 ZINC000845281121 840175279 /nfs/dbraw/zinc/17/52/79/840175279.db2.gz FSQDXFJEJRJCMN-JTQLQIEISA-N 1 2 293.283 1.182 20 5 CDBDLO CCn1cnnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230753336 840852154 /nfs/dbraw/zinc/85/21/54/840852154.db2.gz OKQDZVUBEQXZDJ-UHFFFAOYSA-N 1 2 275.312 1.804 20 5 CDBDLO Nc1cc(CNc2nccc(N)c2[N+](=O)[O-])cc[nH+]1 ZINC001167617312 897052705 /nfs/dbraw/zinc/05/27/05/897052705.db2.gz NYJVHWCWMLVQKI-UHFFFAOYSA-N 1 2 260.257 1.161 20 5 CDBDLO O=C1OCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895739 912050570 /nfs/dbraw/zinc/05/05/70/912050570.db2.gz ILSHLRFQGIWFPE-OCCSQVGLSA-N 1 2 290.319 1.747 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](CO)CC(F)(F)C2)C1 ZINC001169010751 927618023 /nfs/dbraw/zinc/61/80/23/927618023.db2.gz GCTRNCLEOTTZKM-GMTAPVOTSA-N 1 2 278.299 1.381 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H](CO)CC(F)(F)C2)C1 ZINC001169010751 927618033 /nfs/dbraw/zinc/61/80/33/927618033.db2.gz GCTRNCLEOTTZKM-GMTAPVOTSA-N 1 2 278.299 1.381 20 5 CDBDLO COC(=O)c1cnc(NC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157525483 938504798 /nfs/dbraw/zinc/50/47/98/938504798.db2.gz CHQCPTXEASDNQU-UHFFFAOYSA-N 1 2 294.311 1.281 20 5 CDBDLO CC(C)n1c[nH+]cc1CNc1ncc([N+](=O)[O-])cc1N ZINC001161568848 938913596 /nfs/dbraw/zinc/91/35/96/938913596.db2.gz FYPOSHQDOQYTKB-UHFFFAOYSA-N 1 2 276.300 1.962 20 5 CDBDLO Cc1c(F)cnc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162683765 939114955 /nfs/dbraw/zinc/11/49/55/939114955.db2.gz YZBYOLUMMYXERJ-VIFPVBQESA-N 1 2 284.291 1.180 20 5 CDBDLO Cc1c(F)cnc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162683765 939114958 /nfs/dbraw/zinc/11/49/58/939114958.db2.gz YZBYOLUMMYXERJ-VIFPVBQESA-N 1 2 284.291 1.180 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000316272672 941479044 /nfs/dbraw/zinc/47/90/44/941479044.db2.gz GVCNDMJXUMUBNH-CABZTGNLSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000316272672 941479045 /nfs/dbraw/zinc/47/90/45/941479045.db2.gz GVCNDMJXUMUBNH-CABZTGNLSA-N 1 2 286.715 1.033 20 5 CDBDLO C[C@H](C[NH+](C)C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097236 942131922 /nfs/dbraw/zinc/13/19/22/942131922.db2.gz XXDMNLDUBYTNPP-MRVPVSSYSA-N 1 2 292.295 1.573 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257021 942284808 /nfs/dbraw/zinc/28/48/08/942284808.db2.gz CQURPFFMRLGHAF-LBPRGKRZSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257021 942284812 /nfs/dbraw/zinc/28/48/12/942284812.db2.gz CQURPFFMRLGHAF-LBPRGKRZSA-N 1 2 286.715 1.958 20 5 CDBDLO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972277 942402262 /nfs/dbraw/zinc/40/22/62/942402262.db2.gz VEIRKZKQFJVALW-SNVBAGLBSA-N 1 2 282.296 1.868 20 5 CDBDLO CC(C)[N@H+]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972277 942402263 /nfs/dbraw/zinc/40/22/63/942402263.db2.gz VEIRKZKQFJVALW-SNVBAGLBSA-N 1 2 282.296 1.868 20 5 CDBDLO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC001262705734 943677299 /nfs/dbraw/zinc/67/72/99/943677299.db2.gz QYFUJPZPVZTXDV-ZWNOBZJWSA-N 1 2 296.346 1.780 20 5 CDBDLO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC001262705734 943677302 /nfs/dbraw/zinc/67/73/02/943677302.db2.gz QYFUJPZPVZTXDV-ZWNOBZJWSA-N 1 2 296.346 1.780 20 5 CDBDLO Cc1nccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](C)CCO1 ZINC001234900239 943968883 /nfs/dbraw/zinc/96/88/83/943968883.db2.gz GTTZTMWTTPLFKK-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1nccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001234900239 943968885 /nfs/dbraw/zinc/96/88/85/943968885.db2.gz GTTZTMWTTPLFKK-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CO)C1 ZINC001254553165 947521723 /nfs/dbraw/zinc/52/17/23/947521723.db2.gz UAOZAKVGMBCVIT-DGCLKSJQSA-N 1 2 280.324 1.219 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CO)C1 ZINC001254553165 947521733 /nfs/dbraw/zinc/52/17/33/947521733.db2.gz UAOZAKVGMBCVIT-DGCLKSJQSA-N 1 2 280.324 1.219 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000588002807 342490910 /nfs/dbraw/zinc/49/09/10/342490910.db2.gz OPJKMIGWYDJWLX-LLVKDONJSA-N 1 2 295.314 1.645 20 5 CDBDLO O=[N+]([O-])c1ccccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000590602322 342577612 /nfs/dbraw/zinc/57/76/12/342577612.db2.gz VUUMCWDPKAKXAF-UHFFFAOYSA-N 1 2 258.281 1.876 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595285908 343023447 /nfs/dbraw/zinc/02/34/47/343023447.db2.gz BLVOQZWADFVIDZ-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595285908 343023448 /nfs/dbraw/zinc/02/34/48/343023448.db2.gz BLVOQZWADFVIDZ-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO Cc1noc(C[NH2+][C@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595411797 343051227 /nfs/dbraw/zinc/05/12/27/343051227.db2.gz VAEMFWRBRXZHIF-LLVKDONJSA-N 1 2 277.280 1.714 20 5 CDBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595597420 343114292 /nfs/dbraw/zinc/11/42/92/343114292.db2.gz PUZWYOVTSMGNGR-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595597420 343114294 /nfs/dbraw/zinc/11/42/94/343114294.db2.gz PUZWYOVTSMGNGR-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595597420 343114295 /nfs/dbraw/zinc/11/42/95/343114295.db2.gz PUZWYOVTSMGNGR-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595597420 343114297 /nfs/dbraw/zinc/11/42/97/343114297.db2.gz PUZWYOVTSMGNGR-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)s1 ZINC000596247951 343273820 /nfs/dbraw/zinc/27/38/20/343273820.db2.gz UHKZLRJPQGXTNN-SNVBAGLBSA-N 1 2 298.368 1.352 20 5 CDBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093423328 342428503 /nfs/dbraw/zinc/42/85/03/342428503.db2.gz WZYUSSMPCRKYPI-UHFFFAOYSA-N 1 2 268.313 1.893 20 5 CDBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093423328 342428504 /nfs/dbraw/zinc/42/85/04/342428504.db2.gz WZYUSSMPCRKYPI-UHFFFAOYSA-N 1 2 268.313 1.893 20 5 CDBDLO CC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000050990457 342447573 /nfs/dbraw/zinc/44/75/73/342447573.db2.gz XFSOIYFFISHHCB-UHFFFAOYSA-N 1 2 283.353 1.757 20 5 CDBDLO CCOC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599616525 344096008 /nfs/dbraw/zinc/09/60/08/344096008.db2.gz CURPTMWAMMWTMO-AWEZNQCLSA-N 1 2 280.324 1.832 20 5 CDBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599616525 344096010 /nfs/dbraw/zinc/09/60/10/344096010.db2.gz CURPTMWAMMWTMO-AWEZNQCLSA-N 1 2 280.324 1.832 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000603845213 344838162 /nfs/dbraw/zinc/83/81/62/344838162.db2.gz YFXPMZXFOOFIPR-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)s1 ZINC000617974832 349368866 /nfs/dbraw/zinc/36/88/66/349368866.db2.gz YGAIECPZYOXZDS-UHFFFAOYSA-N 1 2 283.353 1.933 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCCO)c2c1 ZINC000413021959 363183459 /nfs/dbraw/zinc/18/34/59/363183459.db2.gz CATKTESUTXCJAZ-UHFFFAOYSA-N 1 2 277.280 1.564 20 5 CDBDLO Cc1c([C@@H](C)[NH2+]Cc2nncn2C)cccc1[N+](=O)[O-] ZINC000152318604 188009607 /nfs/dbraw/zinc/00/96/07/188009607.db2.gz AUNDFINDHRMVCD-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO CCCc1n[nH]c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000560697796 357012308 /nfs/dbraw/zinc/01/23/08/357012308.db2.gz GJUATSKSXFMELW-SSDOTTSWSA-N 1 2 292.299 1.485 20 5 CDBDLO C[C@H](c1nncn1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000286965120 358047096 /nfs/dbraw/zinc/04/70/96/358047096.db2.gz PECJRGOCFHZXQE-LLVKDONJSA-N 1 2 289.339 1.959 20 5 CDBDLO C[C@H](c1nncn1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000286965120 358047100 /nfs/dbraw/zinc/04/71/00/358047100.db2.gz PECJRGOCFHZXQE-LLVKDONJSA-N 1 2 289.339 1.959 20 5 CDBDLO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294913040 199245289 /nfs/dbraw/zinc/24/52/89/199245289.db2.gz SNZQZNFVCHTWFT-NSHDSACASA-N 1 2 293.323 1.562 20 5 CDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000341714312 358796894 /nfs/dbraw/zinc/79/68/94/358796894.db2.gz DKUXVTDANYZCAI-LLVKDONJSA-N 1 2 289.295 1.538 20 5 CDBDLO CO[C@@H](C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339197713 359318331 /nfs/dbraw/zinc/31/83/31/359318331.db2.gz QJYFJZWHDYYGNT-VIFPVBQESA-N 1 2 254.286 1.767 20 5 CDBDLO CO[C@@H](C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339197713 359318339 /nfs/dbraw/zinc/31/83/39/359318339.db2.gz QJYFJZWHDYYGNT-VIFPVBQESA-N 1 2 254.286 1.767 20 5 CDBDLO CC[C@H](F)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582160553 364073310 /nfs/dbraw/zinc/07/33/10/364073310.db2.gz LGAHZUANDIJMDN-NSHDSACASA-N 1 2 282.319 1.860 20 5 CDBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c[nH+]1 ZINC000456832047 364786849 /nfs/dbraw/zinc/78/68/49/364786849.db2.gz FOVHBGFJUCWMHY-UHFFFAOYSA-N 1 2 275.268 1.260 20 5 CDBDLO O=C(CCn1cc[nH+]c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000270761383 366929725 /nfs/dbraw/zinc/92/97/25/366929725.db2.gz MMOSTLKPMAHMQE-UHFFFAOYSA-N 1 2 288.307 1.540 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664942 369114656 /nfs/dbraw/zinc/11/46/56/369114656.db2.gz KFQXGRVTFLNZQR-UWVGGRQHSA-N 1 2 294.311 1.038 20 5 CDBDLO COC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664942 369114664 /nfs/dbraw/zinc/11/46/64/369114664.db2.gz KFQXGRVTFLNZQR-UWVGGRQHSA-N 1 2 294.311 1.038 20 5 CDBDLO CCNC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053422067 369561774 /nfs/dbraw/zinc/56/17/74/369561774.db2.gz CAANVEBUUKRRNM-UHFFFAOYSA-N 1 2 292.339 1.442 20 5 CDBDLO C[C@@H](O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190831183 296180547 /nfs/dbraw/zinc/18/05/47/296180547.db2.gz BCXYMPGQVRRCOV-VHSXEESVSA-N 1 2 286.303 1.298 20 5 CDBDLO C[C@@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190831183 296180548 /nfs/dbraw/zinc/18/05/48/296180548.db2.gz BCXYMPGQVRRCOV-VHSXEESVSA-N 1 2 286.303 1.298 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000273149998 373706638 /nfs/dbraw/zinc/70/66/38/373706638.db2.gz HHTUYVQJJVVZDF-SNVBAGLBSA-N 1 2 274.284 1.840 20 5 CDBDLO C[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1=O ZINC000289526170 197389805 /nfs/dbraw/zinc/38/98/05/197389805.db2.gz LPNMTZMHIGKUCH-CYBMUJFWSA-N 1 2 280.280 1.269 20 5 CDBDLO C[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000081563950 374521734 /nfs/dbraw/zinc/52/17/34/374521734.db2.gz HPCUFPFZWTUHOQ-UHFFFAOYSA-N 1 2 283.715 1.636 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000429160275 374571569 /nfs/dbraw/zinc/57/15/69/374571569.db2.gz RZGLOJVYWMIRAQ-UHFFFAOYSA-N 1 2 281.312 1.301 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000429160275 374571573 /nfs/dbraw/zinc/57/15/73/374571573.db2.gz RZGLOJVYWMIRAQ-UHFFFAOYSA-N 1 2 281.312 1.301 20 5 CDBDLO Cc1nc(NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000277520624 374791923 /nfs/dbraw/zinc/79/19/23/374791923.db2.gz VBILFSISCCYIPX-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO CNC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330410888 374851064 /nfs/dbraw/zinc/85/10/64/374851064.db2.gz AGTLAXYUUNWXIL-UHFFFAOYSA-N 1 2 293.323 1.258 20 5 CDBDLO COC[C@@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332671810 375042283 /nfs/dbraw/zinc/04/22/83/375042283.db2.gz FHUMQMPWHOGTPK-SECBINFHSA-N 1 2 251.286 1.383 20 5 CDBDLO COC[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332671810 375042289 /nfs/dbraw/zinc/04/22/89/375042289.db2.gz FHUMQMPWHOGTPK-SECBINFHSA-N 1 2 251.286 1.383 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(NCC[NH+]2CCC2)c(F)c1 ZINC000443885107 250060244 /nfs/dbraw/zinc/06/02/44/250060244.db2.gz ZJWNKFISKIVWSA-UHFFFAOYSA-N 1 2 257.240 1.991 20 5 CDBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267026360 379382911 /nfs/dbraw/zinc/38/29/11/379382911.db2.gz LLMBYIPURJSFNV-CYBMUJFWSA-N 1 2 295.314 1.787 20 5 CDBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267026360 379382919 /nfs/dbraw/zinc/38/29/19/379382919.db2.gz LLMBYIPURJSFNV-CYBMUJFWSA-N 1 2 295.314 1.787 20 5 CDBDLO C[N@H+](CCn1cncn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000264102768 131394636 /nfs/dbraw/zinc/39/46/36/131394636.db2.gz PKODMYHWLSVXHH-UHFFFAOYSA-N 1 2 295.730 1.972 20 5 CDBDLO C[N@@H+](CCn1cncn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000264102768 131394638 /nfs/dbraw/zinc/39/46/38/131394638.db2.gz PKODMYHWLSVXHH-UHFFFAOYSA-N 1 2 295.730 1.972 20 5 CDBDLO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)F ZINC000449619681 393135731 /nfs/dbraw/zinc/13/57/31/393135731.db2.gz CZDMTAFAMDQINC-SSDOTTSWSA-N 1 2 289.238 1.013 20 5 CDBDLO CNC(=O)CC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493907485 393224336 /nfs/dbraw/zinc/22/43/36/393224336.db2.gz OMBNNSLTXKRYLY-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CNC(=O)CC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493907485 393224341 /nfs/dbraw/zinc/22/43/41/393224341.db2.gz OMBNNSLTXKRYLY-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000188390767 140092904 /nfs/dbraw/zinc/09/29/04/140092904.db2.gz YZVMKXWBKUTKDY-UHFFFAOYSA-N 1 2 260.253 1.889 20 5 CDBDLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000188390767 140092905 /nfs/dbraw/zinc/09/29/05/140092905.db2.gz YZVMKXWBKUTKDY-UHFFFAOYSA-N 1 2 260.253 1.889 20 5 CDBDLO Cc1c(NC(=O)NCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000119488623 147321306 /nfs/dbraw/zinc/32/13/06/147321306.db2.gz CIEZMJSWRHGNGP-UHFFFAOYSA-N 1 2 275.268 1.948 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCO)CCO2 ZINC000352621766 155309050 /nfs/dbraw/zinc/30/90/50/155309050.db2.gz URVCZKBTRBIRTI-UHFFFAOYSA-N 1 2 252.270 1.172 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCO)CCO2 ZINC000352621766 155309053 /nfs/dbraw/zinc/30/90/53/155309053.db2.gz URVCZKBTRBIRTI-UHFFFAOYSA-N 1 2 252.270 1.172 20 5 CDBDLO Cc1ccn(Cc2c[nH+]c3ccccn23)c(=O)c1[N+](=O)[O-] ZINC000346612433 153244704 /nfs/dbraw/zinc/24/47/04/153244704.db2.gz WTRQERKHPOJUCF-UHFFFAOYSA-N 1 2 284.275 1.761 20 5 CDBDLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000284877654 196149707 /nfs/dbraw/zinc/14/97/07/196149707.db2.gz SBWUKFAJASWFOG-ZJUUUORDSA-N 1 2 296.352 1.254 20 5 CDBDLO CN1C(=O)N[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000284877654 196149709 /nfs/dbraw/zinc/14/97/09/196149709.db2.gz SBWUKFAJASWFOG-ZJUUUORDSA-N 1 2 296.352 1.254 20 5 CDBDLO Cc1noc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000285717456 196376159 /nfs/dbraw/zinc/37/61/59/196376159.db2.gz PYBFDEITOGBNMP-SNVBAGLBSA-N 1 2 292.299 1.320 20 5 CDBDLO Cc1noc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000285717456 196376161 /nfs/dbraw/zinc/37/61/61/196376161.db2.gz PYBFDEITOGBNMP-SNVBAGLBSA-N 1 2 292.299 1.320 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070990345 176019447 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CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000933221130 617376598 /nfs/dbraw/zinc/37/65/98/617376598.db2.gz OWVHDRSNOULWML-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO O=[N+]([O-])c1ccnn1CN1CCC(n2cc[nH+]c2)CC1 ZINC000152095810 630883631 /nfs/dbraw/zinc/88/36/31/630883631.db2.gz YBVBIMBLFPMODN-UHFFFAOYSA-N 1 2 276.300 1.282 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnnn1C ZINC000924955737 844377410 /nfs/dbraw/zinc/37/74/10/844377410.db2.gz SXEWKNFJRZXEBX-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO CC(=O)Nc1cccc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC000791054070 844672316 /nfs/dbraw/zinc/67/23/16/844672316.db2.gz WVLKQAYVOZAVTR-UHFFFAOYSA-N 1 2 263.297 1.280 20 5 CDBDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000791054070 844672324 /nfs/dbraw/zinc/67/23/24/844672324.db2.gz WVLKQAYVOZAVTR-UHFFFAOYSA-N 1 2 263.297 1.280 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC4(C3)CCOC4)nc2c1 ZINC000877554085 844963569 /nfs/dbraw/zinc/96/35/69/844963569.db2.gz 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1.159 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000872771354 847376088 /nfs/dbraw/zinc/37/60/88/847376088.db2.gz HBCIRLKJJVOENZ-LLVKDONJSA-N 1 2 297.359 1.159 20 5 CDBDLO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])cc1F ZINC000782621978 847618055 /nfs/dbraw/zinc/61/80/55/847618055.db2.gz NYARCDPZUQUXHZ-IINYFYTJSA-N 1 2 296.298 1.557 20 5 CDBDLO COc1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])cc1F ZINC000782621978 847618058 /nfs/dbraw/zinc/61/80/58/847618058.db2.gz NYARCDPZUQUXHZ-IINYFYTJSA-N 1 2 296.298 1.557 20 5 CDBDLO Cc1cccc(O[C@H]2C[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001218232553 898497979 /nfs/dbraw/zinc/49/79/79/898497979.db2.gz SBUHAFJALYLHIC-VIFPVBQESA-N 1 2 258.224 1.889 20 5 CDBDLO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])n1cc[nH+]c1 ZINC001116106054 937431413 /nfs/dbraw/zinc/43/14/13/937431413.db2.gz QAQQPQZZINDGQC-SNVBAGLBSA-N 1 2 286.291 1.942 20 5 CDBDLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC001124079693 936281263 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O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)ccc1Cl ZINC000316511492 941487173 /nfs/dbraw/zinc/48/71/73/941487173.db2.gz HPUKQLGTSVYVJP-CABZTGNLSA-N 1 2 286.715 1.033 20 5 CDBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3c(F)cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226007533 941940150 /nfs/dbraw/zinc/94/01/50/941940150.db2.gz PEPKAWFPNORASD-CKLFPEKLSA-N 1 2 294.282 1.917 20 5 CDBDLO C[N@H+]1[C@@H]2C[C@H](Oc3c(F)cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226007533 941940151 /nfs/dbraw/zinc/94/01/51/941940151.db2.gz PEPKAWFPNORASD-CKLFPEKLSA-N 1 2 294.282 1.917 20 5 CDBDLO CC(=O)NC1C[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254563554 947528561 /nfs/dbraw/zinc/52/85/61/947528561.db2.gz YLKXDZGCHIWGMP-JTQLQIEISA-N 1 2 277.324 1.346 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[C@@H](C1)O3)C2 ZINC001254603989 947552132 /nfs/dbraw/zinc/55/21/32/947552132.db2.gz ROAWDMZUERONPB-MCIONIFRSA-N 1 2 260.293 1.535 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[C@@H](C1)O3)C2 ZINC001254603989 947552139 /nfs/dbraw/zinc/55/21/39/947552139.db2.gz ROAWDMZUERONPB-MCIONIFRSA-N 1 2 260.293 1.535 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000609150063 342092434 /nfs/dbraw/zinc/09/24/34/342092434.db2.gz HBMIKHCYTBPQMR-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000609150063 342092435 /nfs/dbraw/zinc/09/24/35/342092435.db2.gz HBMIKHCYTBPQMR-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000591150721 342618886 /nfs/dbraw/zinc/61/88/86/342618886.db2.gz WCBLXNLRKAWDQC-SNVBAGLBSA-N 1 2 296.302 1.040 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[NH2+]CC1 ZINC000593905865 342854734 /nfs/dbraw/zinc/85/47/34/342854734.db2.gz DAZVNZOMSVMFAO-VIFPVBQESA-N 1 2 279.296 1.629 20 5 CDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000595393495 343046539 /nfs/dbraw/zinc/04/65/39/343046539.db2.gz QEARCVPENAJVSS-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 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HCMRMWDNEFTSRC-UHFFFAOYSA-N 1 2 274.280 1.219 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(n2cc[nH+]c2)C1 ZINC000524399338 281109074 /nfs/dbraw/zinc/10/90/74/281109074.db2.gz PXISFZANROZTCD-UHFFFAOYSA-N 1 2 290.254 1.628 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000339189922 523181069 /nfs/dbraw/zinc/18/10/69/523181069.db2.gz TVPYGPWEFWZIKZ-OLZOCXBDSA-N 1 2 266.297 1.646 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000339189922 523181076 /nfs/dbraw/zinc/18/10/76/523181076.db2.gz TVPYGPWEFWZIKZ-OLZOCXBDSA-N 1 2 266.297 1.646 20 5 CDBDLO CC[C@H](C)[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339198983 523937099 /nfs/dbraw/zinc/93/70/99/523937099.db2.gz LZWRPOQZSDQBTQ-JTQLQIEISA-N 1 2 268.313 1.893 20 5 CDBDLO CC[C@H](C)[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339198983 523937104 /nfs/dbraw/zinc/93/71/04/523937104.db2.gz LZWRPOQZSDQBTQ-JTQLQIEISA-N 1 2 268.313 1.893 20 5 CDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000185114565 524659321 /nfs/dbraw/zinc/65/93/21/524659321.db2.gz OLAOARKDKHNCNP-MLCYQJTMSA-N 1 2 270.354 1.794 20 5 CDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000185114565 524659329 /nfs/dbraw/zinc/65/93/29/524659329.db2.gz OLAOARKDKHNCNP-MLCYQJTMSA-N 1 2 270.354 1.794 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157313410 524792025 /nfs/dbraw/zinc/79/20/25/524792025.db2.gz MZFGPEQAXNTAKU-SECBINFHSA-N 1 2 289.295 1.192 20 5 CDBDLO Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)[nH+]c12 ZINC000340881737 525470890 /nfs/dbraw/zinc/47/08/90/525470890.db2.gz MDHCYMBRWOKPCV-UHFFFAOYSA-N 1 2 299.290 1.809 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOCC23CC3)cc1 ZINC000338599009 527372500 /nfs/dbraw/zinc/37/25/00/527372500.db2.gz RMUKHIMWLHRDLY-UHFFFAOYSA-N 1 2 278.308 1.838 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOCC23CC3)cc1 ZINC000338599009 527372504 /nfs/dbraw/zinc/37/25/04/527372504.db2.gz RMUKHIMWLHRDLY-UHFFFAOYSA-N 1 2 278.308 1.838 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338587716 527386261 /nfs/dbraw/zinc/38/62/61/527386261.db2.gz LOJWWYCTOVUEPV-LBPRGKRZSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338587716 527386268 /nfs/dbraw/zinc/38/62/68/527386268.db2.gz LOJWWYCTOVUEPV-LBPRGKRZSA-N 1 2 254.261 1.501 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1F ZINC000771919289 575636315 /nfs/dbraw/zinc/63/63/15/575636315.db2.gz FBUQUZFVHBZZPS-UHFFFAOYSA-N 1 2 279.227 1.787 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000771928783 575638162 /nfs/dbraw/zinc/63/81/62/575638162.db2.gz WGFTUOWMTLRUIV-UHFFFAOYSA-N 1 2 279.227 1.787 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000763109697 576713189 /nfs/dbraw/zinc/71/31/89/576713189.db2.gz RBRKLNVTXHXCIU-UHFFFAOYSA-N 1 2 251.198 1.241 20 5 CDBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000759156011 577155939 /nfs/dbraw/zinc/15/59/39/577155939.db2.gz BBVKFIQYOGSZLP-GFCCVEGCSA-N 1 2 290.327 1.628 20 5 CDBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000759156011 577155941 /nfs/dbraw/zinc/15/59/41/577155941.db2.gz BBVKFIQYOGSZLP-GFCCVEGCSA-N 1 2 290.327 1.628 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]3CO)nc2c1 ZINC000934025334 617848434 /nfs/dbraw/zinc/84/84/34/617848434.db2.gz HNUYUILXQLIEML-SECBINFHSA-N 1 2 263.253 1.303 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]3CO)nc2c1 ZINC000934025334 617848440 /nfs/dbraw/zinc/84/84/40/617848440.db2.gz HNUYUILXQLIEML-SECBINFHSA-N 1 2 263.253 1.303 20 5 CDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1CO ZINC000934022950 617861951 /nfs/dbraw/zinc/86/19/51/617861951.db2.gz BJTBVYMUKFRBQA-CYBMUJFWSA-N 1 2 280.324 1.949 20 5 CDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1CO ZINC000934022950 617861954 /nfs/dbraw/zinc/86/19/54/617861954.db2.gz BJTBVYMUKFRBQA-CYBMUJFWSA-N 1 2 280.324 1.949 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1ccc(N)cc1[N+](=O)[O-])C2 ZINC000896654886 620184398 /nfs/dbraw/zinc/18/43/98/620184398.db2.gz PXKRGKRAZOUGAB-UHFFFAOYSA-N 1 2 287.323 1.956 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000134187784 1175813110 /nfs/dbraw/zinc/81/31/10/1175813110.db2.gz DIBZLCLACZZPKR-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000134187784 1175813115 /nfs/dbraw/zinc/81/31/15/1175813115.db2.gz DIBZLCLACZZPKR-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO Cn1c(C(=O)OCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC000791635919 697861234 /nfs/dbraw/zinc/86/12/34/697861234.db2.gz DECAQZLUSIUAPX-UHFFFAOYSA-N 1 2 276.252 1.268 20 5 CDBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929794800 698950225 /nfs/dbraw/zinc/95/02/25/698950225.db2.gz DGMCQUFMLRGFOF-JTQLQIEISA-N 1 2 273.333 1.204 20 5 CDBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929794800 698950228 /nfs/dbraw/zinc/95/02/28/698950228.db2.gz DGMCQUFMLRGFOF-JTQLQIEISA-N 1 2 273.333 1.204 20 5 CDBDLO COCCOCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886209369 698967177 /nfs/dbraw/zinc/96/71/77/698967177.db2.gz KXLYNMWDLJXVFP-UHFFFAOYSA-N 1 2 269.301 1.085 20 5 CDBDLO COCCOCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886209369 698967178 /nfs/dbraw/zinc/96/71/78/698967178.db2.gz KXLYNMWDLJXVFP-UHFFFAOYSA-N 1 2 269.301 1.085 20 5 CDBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000831682108 705291673 /nfs/dbraw/zinc/29/16/73/705291673.db2.gz WSQDBJDWIOLHDZ-UHFFFAOYSA-N 1 2 286.291 1.758 20 5 CDBDLO Cc1nonc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885659 849032078 /nfs/dbraw/zinc/03/20/78/849032078.db2.gz FITFOIXPZPPDHG-UHFFFAOYSA-N 1 2 262.269 1.884 20 5 CDBDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000782590509 849094345 /nfs/dbraw/zinc/09/43/45/849094345.db2.gz FGVXGEXPHKLYSY-LLVKDONJSA-N 1 2 277.324 1.300 20 5 CDBDLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000782590509 849094347 /nfs/dbraw/zinc/09/43/47/849094347.db2.gz FGVXGEXPHKLYSY-LLVKDONJSA-N 1 2 277.324 1.300 20 5 CDBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853898399 849783724 /nfs/dbraw/zinc/78/37/24/849783724.db2.gz CPXBMNXMJSJHNB-JTQLQIEISA-N 1 2 297.311 1.809 20 5 CDBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853898399 849783733 /nfs/dbraw/zinc/78/37/33/849783733.db2.gz CPXBMNXMJSJHNB-JTQLQIEISA-N 1 2 297.311 1.809 20 5 CDBDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929328855 850239567 /nfs/dbraw/zinc/23/95/67/850239567.db2.gz VUEXCVHHCLBQRC-SNVBAGLBSA-N 1 2 273.333 1.252 20 5 CDBDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929328855 850239581 /nfs/dbraw/zinc/23/95/81/850239581.db2.gz VUEXCVHHCLBQRC-SNVBAGLBSA-N 1 2 273.333 1.252 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001173231797 912326950 /nfs/dbraw/zinc/32/69/50/912326950.db2.gz DDWUVTGZGOAQDW-NEPJUHHUSA-N 1 2 291.351 1.688 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001173231797 912326968 /nfs/dbraw/zinc/32/69/68/912326968.db2.gz DDWUVTGZGOAQDW-NEPJUHHUSA-N 1 2 291.351 1.688 20 5 CDBDLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233334 912327236 /nfs/dbraw/zinc/32/72/36/912327236.db2.gz VLOHCLKTVKYPQX-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233334 912327250 /nfs/dbraw/zinc/32/72/50/912327250.db2.gz VLOHCLKTVKYPQX-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO C[NH2+][C@H]1CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001156645950 928873536 /nfs/dbraw/zinc/87/35/36/928873536.db2.gz CRTKIQSOCBHZPR-MRVPVSSYSA-N 1 2 292.673 1.944 20 5 CDBDLO CSC[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320467088 931509937 /nfs/dbraw/zinc/50/99/37/931509937.db2.gz TYQDWYBUFGKSAI-LBPRGKRZSA-N 1 2 268.338 1.634 20 5 CDBDLO CSC[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320467088 931509939 /nfs/dbraw/zinc/50/99/39/931509939.db2.gz TYQDWYBUFGKSAI-LBPRGKRZSA-N 1 2 268.338 1.634 20 5 CDBDLO COc1nc(C)c(NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162688443 939118235 /nfs/dbraw/zinc/11/82/35/939118235.db2.gz NXEJVGIXKPZXAP-JTQLQIEISA-N 1 2 296.327 1.049 20 5 CDBDLO COc1nc(C)c(NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162688443 939118236 /nfs/dbraw/zinc/11/82/36/939118236.db2.gz NXEJVGIXKPZXAP-JTQLQIEISA-N 1 2 296.327 1.049 20 5 CDBDLO CC(C)(C)[NH+]1CC(Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755396 942064084 /nfs/dbraw/zinc/06/40/84/942064084.db2.gz LXLROFMCBWCOPJ-UHFFFAOYSA-N 1 2 269.276 1.990 20 5 CDBDLO COC[C@H]1COCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254568448 947531339 /nfs/dbraw/zinc/53/13/39/947531339.db2.gz ZUADDYREGXRVEU-JSGCOSHPSA-N 1 2 294.351 1.873 20 5 CDBDLO COC[C@H]1COCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254568448 947531347 /nfs/dbraw/zinc/53/13/47/947531347.db2.gz ZUADDYREGXRVEU-JSGCOSHPSA-N 1 2 294.351 1.873 20 5 CDBDLO CCOC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600939 947550046 /nfs/dbraw/zinc/55/00/46/947550046.db2.gz WYNKNJMZORQIQV-ZDUSSCGKSA-N 1 2 262.309 1.783 20 5 CDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1CN(C)CC[N@@H+]1C ZINC001337266813 961070316 /nfs/dbraw/zinc/07/03/16/961070316.db2.gz GEKXHOUGOWEJBW-NXEZZACHSA-N 1 2 284.385 1.703 20 5 CDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1CN(C)CC[N@H+]1C ZINC001337266813 961070337 /nfs/dbraw/zinc/07/03/37/961070337.db2.gz GEKXHOUGOWEJBW-NXEZZACHSA-N 1 2 284.385 1.703 20 5 CDBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000590342955 342537203 /nfs/dbraw/zinc/53/72/03/342537203.db2.gz WNHUTWLMVXMEJV-UHFFFAOYSA-N 1 2 299.246 1.595 20 5 CDBDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC000046386117 342059704 /nfs/dbraw/zinc/05/97/04/342059704.db2.gz GGPMXLHUPQLPJB-UHFFFAOYSA-N 1 2 290.279 1.579 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000043754334 342112168 /nfs/dbraw/zinc/11/21/68/342112168.db2.gz HPZFGCCJWFCMEK-NXEZZACHSA-N 1 2 293.323 1.303 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000043754334 342112169 /nfs/dbraw/zinc/11/21/69/342112169.db2.gz HPZFGCCJWFCMEK-NXEZZACHSA-N 1 2 293.323 1.303 20 5 CDBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cn2)c(C)c1 ZINC000594596161 342923838 /nfs/dbraw/zinc/92/38/38/342923838.db2.gz OBGQUBOSZZEKEK-UHFFFAOYSA-N 1 2 273.296 1.473 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295421 343026756 /nfs/dbraw/zinc/02/67/56/343026756.db2.gz MDMPSNAMVDLCKE-LLVKDONJSA-N 1 2 281.287 1.444 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295421 343026758 /nfs/dbraw/zinc/02/67/58/343026758.db2.gz MDMPSNAMVDLCKE-LLVKDONJSA-N 1 2 281.287 1.444 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349037 343045777 /nfs/dbraw/zinc/04/57/77/343045777.db2.gz WZEHHSRGYCUIOL-NEPJUHHUSA-N 1 2 293.298 1.587 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349037 343045778 /nfs/dbraw/zinc/04/57/78/343045778.db2.gz WZEHHSRGYCUIOL-NEPJUHHUSA-N 1 2 293.298 1.587 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCSC[C@@H]1CO ZINC000595405574 343049929 /nfs/dbraw/zinc/04/99/29/343049929.db2.gz YFDAUOFIGFEDFI-NSHDSACASA-N 1 2 286.328 1.644 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000595405574 343049931 /nfs/dbraw/zinc/04/99/31/343049931.db2.gz YFDAUOFIGFEDFI-NSHDSACASA-N 1 2 286.328 1.644 20 5 CDBDLO Cc1noc(CN(C)[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000595467918 343071481 /nfs/dbraw/zinc/07/14/81/343071481.db2.gz QSTAEOGYVIRYIS-SNVBAGLBSA-N 1 2 298.343 1.044 20 5 CDBDLO Cc1noc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595467918 343071483 /nfs/dbraw/zinc/07/14/83/343071483.db2.gz QSTAEOGYVIRYIS-SNVBAGLBSA-N 1 2 298.343 1.044 20 5 CDBDLO Cc1noc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595467918 343071484 /nfs/dbraw/zinc/07/14/84/343071484.db2.gz QSTAEOGYVIRYIS-SNVBAGLBSA-N 1 2 298.343 1.044 20 5 CDBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459197 343804357 /nfs/dbraw/zinc/80/43/57/343804357.db2.gz FFTGWGBTBJFQTI-SNVBAGLBSA-N 1 2 288.307 1.748 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599600771 344099698 /nfs/dbraw/zinc/09/96/98/344099698.db2.gz DZJPHUHJYNUERL-JTQLQIEISA-N 1 2 267.260 1.184 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599600771 344099699 /nfs/dbraw/zinc/09/96/99/344099699.db2.gz DZJPHUHJYNUERL-JTQLQIEISA-N 1 2 267.260 1.184 20 5 CDBDLO CC(C)(CNc1cccnc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000603838940 344839289 /nfs/dbraw/zinc/83/92/89/344839289.db2.gz XMBNLDLAORLFKH-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344207300 362555474 /nfs/dbraw/zinc/55/54/74/362555474.db2.gz GHUFEDOHLORZBA-UHFFFAOYSA-N 1 2 278.243 1.360 20 5 CDBDLO Cc1nn(C)c(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609632278 345984566 /nfs/dbraw/zinc/98/45/66/345984566.db2.gz OVFGIFANZVLPQP-NSHDSACASA-N 1 2 290.327 1.675 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000072667054 349128175 /nfs/dbraw/zinc/12/81/75/349128175.db2.gz JBHUKNSRQLCGJB-GXFFZTMASA-N 1 2 277.324 1.818 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000072667054 349128177 /nfs/dbraw/zinc/12/81/77/349128177.db2.gz JBHUKNSRQLCGJB-GXFFZTMASA-N 1 2 277.324 1.818 20 5 CDBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc[nH+]cc1O ZINC000109891272 358476328 /nfs/dbraw/zinc/47/63/28/358476328.db2.gz ZVIMUOFRYGFFBP-UHFFFAOYSA-N 1 2 289.247 1.713 20 5 CDBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000559257352 356424956 /nfs/dbraw/zinc/42/49/56/356424956.db2.gz INPPETLYYOBBKN-UHFFFAOYSA-N 1 2 283.353 1.823 20 5 CDBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000559257352 356424959 /nfs/dbraw/zinc/42/49/59/356424959.db2.gz INPPETLYYOBBKN-UHFFFAOYSA-N 1 2 283.353 1.823 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000269469120 535323616 /nfs/dbraw/zinc/32/36/16/535323616.db2.gz UGMGLPYJRISBSO-UHFFFAOYSA-N 1 2 292.299 1.105 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862921 356820397 /nfs/dbraw/zinc/82/03/97/356820397.db2.gz MKXSIOSMCHPJHA-UHFFFAOYSA-N 1 2 251.286 1.163 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862921 356820402 /nfs/dbraw/zinc/82/04/02/356820402.db2.gz MKXSIOSMCHPJHA-UHFFFAOYSA-N 1 2 251.286 1.163 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](O)C3)n2)cc1 ZINC000074323698 357908826 /nfs/dbraw/zinc/90/88/26/357908826.db2.gz BGFPUDMGTYDGQA-LLVKDONJSA-N 1 2 290.279 1.211 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](O)C3)n2)cc1 ZINC000074323698 357908829 /nfs/dbraw/zinc/90/88/29/357908829.db2.gz BGFPUDMGTYDGQA-LLVKDONJSA-N 1 2 290.279 1.211 20 5 CDBDLO C[C@H](CNc1ncc([N+](=O)[O-])s1)Cn1cc[nH+]c1 ZINC000195509612 358433619 /nfs/dbraw/zinc/43/36/19/358433619.db2.gz ZPQHNKRUKVGVGA-MRVPVSSYSA-N 1 2 267.314 1.996 20 5 CDBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104063468 358943549 /nfs/dbraw/zinc/94/35/49/358943549.db2.gz XNWPAKZJSFKYEZ-CYBMUJFWSA-N 1 2 277.324 1.551 20 5 CDBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104063468 358943554 /nfs/dbraw/zinc/94/35/54/358943554.db2.gz XNWPAKZJSFKYEZ-CYBMUJFWSA-N 1 2 277.324 1.551 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCn2c[nH+]cc2C1 ZINC000365797265 360420636 /nfs/dbraw/zinc/42/06/36/360420636.db2.gz MLWBZXHMUXQAJA-UHFFFAOYSA-N 1 2 290.254 1.586 20 5 CDBDLO Cc1nc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000350699895 361137625 /nfs/dbraw/zinc/13/76/25/361137625.db2.gz IFTHGDWWZYCHDE-UHFFFAOYSA-N 1 2 281.341 1.688 20 5 CDBDLO Cc1nc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000350699895 361137631 /nfs/dbraw/zinc/13/76/31/361137631.db2.gz IFTHGDWWZYCHDE-UHFFFAOYSA-N 1 2 281.341 1.688 20 5 CDBDLO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181953953 365059664 /nfs/dbraw/zinc/05/96/64/365059664.db2.gz BRDDXFZONCYDSI-UHFFFAOYSA-N 1 2 293.323 1.372 20 5 CDBDLO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182137588 365072924 /nfs/dbraw/zinc/07/29/24/365072924.db2.gz AIELRKWVQYTBNA-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182137588 365072929 /nfs/dbraw/zinc/07/29/29/365072929.db2.gz AIELRKWVQYTBNA-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCc2occc2C1 ZINC000367986917 371269991 /nfs/dbraw/zinc/26/99/91/371269991.db2.gz CKWHLEDWWRCUFZ-UHFFFAOYSA-N 1 2 276.296 1.870 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCc2occc2C1 ZINC000367986917 371270000 /nfs/dbraw/zinc/27/00/00/371270000.db2.gz CKWHLEDWWRCUFZ-UHFFFAOYSA-N 1 2 276.296 1.870 20 5 CDBDLO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657683 373370279 /nfs/dbraw/zinc/37/02/79/373370279.db2.gz IUIVKPJGXWBSIO-GXFFZTMASA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657683 373370287 /nfs/dbraw/zinc/37/02/87/373370287.db2.gz IUIVKPJGXWBSIO-GXFFZTMASA-N 1 2 266.297 1.349 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000421738798 374327318 /nfs/dbraw/zinc/32/73/18/374327318.db2.gz WLZJCFWRXBAAFE-UHFFFAOYSA-N 1 2 277.324 1.599 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH]cc[nH+]1 ZINC000080587444 374472325 /nfs/dbraw/zinc/47/23/25/374472325.db2.gz YHEJHYBTHMOJBA-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277201774 374778008 /nfs/dbraw/zinc/77/80/08/374778008.db2.gz MQPKQJPXHZHLSE-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277201774 374778013 /nfs/dbraw/zinc/77/80/13/374778013.db2.gz MQPKQJPXHZHLSE-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn2cc[nH+]c2c1 ZINC000355325309 375791067 /nfs/dbraw/zinc/79/10/67/375791067.db2.gz YNYLDYXRHGJVBS-UHFFFAOYSA-N 1 2 286.251 1.078 20 5 CDBDLO COC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C)o1 ZINC000347629713 376622137 /nfs/dbraw/zinc/62/21/37/376622137.db2.gz CTNVJNBEBMDDOS-JTQLQIEISA-N 1 2 294.311 1.707 20 5 CDBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1[nH]cc[nH+]1 ZINC000140649688 376957755 /nfs/dbraw/zinc/95/77/55/376957755.db2.gz CKDMZZIOPPERND-ZETCQYMHSA-N 1 2 264.241 1.792 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4nn[nH]c4C3)nc2c1 ZINC000444712145 250172142 /nfs/dbraw/zinc/17/21/42/250172142.db2.gz VRTGVGSRJMNXKK-UHFFFAOYSA-N 1 2 299.294 1.148 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4nn[nH]c4C3)nc2c1 ZINC000444712145 250172146 /nfs/dbraw/zinc/17/21/46/250172146.db2.gz VRTGVGSRJMNXKK-UHFFFAOYSA-N 1 2 299.294 1.148 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000286008801 390190133 /nfs/dbraw/zinc/19/01/33/390190133.db2.gz DZQKQQGMORJYIX-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[NH2+]CC1 ZINC000262310271 390634500 /nfs/dbraw/zinc/63/45/00/390634500.db2.gz CVMCYHXJWLPQLL-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000413261892 391187161 /nfs/dbraw/zinc/18/71/61/391187161.db2.gz GTGPWLDPDBDFOF-LLVKDONJSA-N 1 2 298.318 1.652 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000413261892 391187165 /nfs/dbraw/zinc/18/71/65/391187165.db2.gz GTGPWLDPDBDFOF-LLVKDONJSA-N 1 2 298.318 1.652 20 5 CDBDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000268768863 132062739 /nfs/dbraw/zinc/06/27/39/132062739.db2.gz OWUXOJPNOUHPCI-SNVBAGLBSA-N 1 2 287.323 1.983 20 5 CDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000493780579 393220309 /nfs/dbraw/zinc/22/03/09/393220309.db2.gz CKKQECRWVPYJQI-PLNGDYQASA-N 1 2 298.302 1.847 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493648898 393215821 /nfs/dbraw/zinc/21/58/21/393215821.db2.gz SNGOPNFJMXGYOM-VOTSOKGWSA-N 1 2 286.291 1.658 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccno2)CC1 ZINC000298216855 296517417 /nfs/dbraw/zinc/51/74/17/296517417.db2.gz ZQQVKNOWEXWBDP-UHFFFAOYSA-N 1 2 289.295 1.300 20 5 CDBDLO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000114197745 397601960 /nfs/dbraw/zinc/60/19/60/397601960.db2.gz BRSIJFMJZWDXAW-UHFFFAOYSA-N 1 2 296.323 1.259 20 5 CDBDLO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000114197745 397601962 /nfs/dbraw/zinc/60/19/62/397601962.db2.gz BRSIJFMJZWDXAW-UHFFFAOYSA-N 1 2 296.323 1.259 20 5 CDBDLO Cc1c(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000191778080 397675199 /nfs/dbraw/zinc/67/51/99/397675199.db2.gz OGTRGVYEVDYXSY-GWCFXTLKSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1c(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000191778080 397675203 /nfs/dbraw/zinc/67/52/03/397675203.db2.gz OGTRGVYEVDYXSY-GWCFXTLKSA-N 1 2 280.324 1.485 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000349630509 154159144 /nfs/dbraw/zinc/15/91/44/154159144.db2.gz MNISEFFQZUGFNH-UHFFFAOYSA-N 1 2 288.311 1.281 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375321468 160366707 /nfs/dbraw/zinc/36/67/07/160366707.db2.gz WUEQOIIAOABXKT-LBPRGKRZSA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375321468 160366708 /nfs/dbraw/zinc/36/67/08/160366708.db2.gz WUEQOIIAOABXKT-LBPRGKRZSA-N 1 2 291.286 1.772 20 5 CDBDLO COc1cccc(NCC[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000355408511 157034028 /nfs/dbraw/zinc/03/40/28/157034028.db2.gz BOZMLXYTKAYRCF-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO COc1cccc(NCC[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000355408511 157034029 /nfs/dbraw/zinc/03/40/29/157034029.db2.gz BOZMLXYTKAYRCF-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO COc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355801566 157242449 /nfs/dbraw/zinc/24/24/49/157242449.db2.gz NEGAMEPTZJVCNL-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355801566 157242452 /nfs/dbraw/zinc/24/24/52/157242452.db2.gz NEGAMEPTZJVCNL-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1[nH]cc[nH+]1 ZINC000359488511 158263580 /nfs/dbraw/zinc/26/35/80/158263580.db2.gz YMURVCJEXIEAML-UHFFFAOYSA-N 1 2 264.289 1.479 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000362670036 159208780 /nfs/dbraw/zinc/20/87/80/159208780.db2.gz VNPFBNHULSKQDS-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000362670036 159208781 /nfs/dbraw/zinc/20/87/81/159208781.db2.gz VNPFBNHULSKQDS-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000284995002 196173222 /nfs/dbraw/zinc/17/32/22/196173222.db2.gz GOTXEUGOAWQHJF-DTWKUNHWSA-N 1 2 290.327 1.717 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285254468 196233734 /nfs/dbraw/zinc/23/37/34/196233734.db2.gz CPFPLXOIPSTHEQ-ZDUSSCGKSA-N 1 2 290.327 1.742 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285254468 196233736 /nfs/dbraw/zinc/23/37/36/196233736.db2.gz CPFPLXOIPSTHEQ-ZDUSSCGKSA-N 1 2 290.327 1.742 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000037286054 173092731 /nfs/dbraw/zinc/09/27/31/173092731.db2.gz MRYVIPPURRSPPF-UHFFFAOYSA-N 1 2 281.287 1.512 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000037326116 173127452 /nfs/dbraw/zinc/12/74/52/173127452.db2.gz XLKZMQWFLGWQQX-MRVPVSSYSA-N 1 2 265.269 1.239 20 5 CDBDLO Cc1cnc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000039956577 174179193 /nfs/dbraw/zinc/17/91/93/174179193.db2.gz DNFFQWDSWFVFIU-UHFFFAOYSA-N 1 2 266.301 1.042 20 5 CDBDLO CC[N@H+](CCOCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000337459517 276133447 /nfs/dbraw/zinc/13/34/47/276133447.db2.gz ZFCADRWOUXCNIR-UHFFFAOYSA-N 1 2 286.303 1.565 20 5 CDBDLO CC[N@@H+](CCOCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000337459517 276133449 /nfs/dbraw/zinc/13/34/49/276133449.db2.gz ZFCADRWOUXCNIR-UHFFFAOYSA-N 1 2 286.303 1.565 20 5 CDBDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351731895 279000975 /nfs/dbraw/zinc/00/09/75/279000975.db2.gz YLDCWNSJBSDAMJ-APPZFPTMSA-N 1 2 272.251 1.828 20 5 CDBDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351731895 279000978 /nfs/dbraw/zinc/00/09/78/279000978.db2.gz YLDCWNSJBSDAMJ-APPZFPTMSA-N 1 2 272.251 1.828 20 5 CDBDLO [NH3+]CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236196090 280128197 /nfs/dbraw/zinc/12/81/97/280128197.db2.gz GMXFWDFJZDACEC-UHFFFAOYSA-N 1 2 253.258 1.368 20 5 CDBDLO O=C1OC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000370556247 280309230 /nfs/dbraw/zinc/30/92/30/280309230.db2.gz JUXLSVSMZDOBMD-NSHDSACASA-N 1 2 277.280 1.231 20 5 CDBDLO O=C1OC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000370556247 280309231 /nfs/dbraw/zinc/30/92/31/280309231.db2.gz JUXLSVSMZDOBMD-NSHDSACASA-N 1 2 277.280 1.231 20 5 CDBDLO Cn1cc[nH+]c1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158569981 289312262 /nfs/dbraw/zinc/31/22/62/289312262.db2.gz LNNSIHIINUHUEX-UHFFFAOYSA-N 1 2 284.279 1.635 20 5 CDBDLO Cn1c[nH+]cc1CCCn1cccc([N+](=O)[O-])c1=O ZINC000583274307 325143440 /nfs/dbraw/zinc/14/34/40/325143440.db2.gz WDVPIKFPQXFTRN-UHFFFAOYSA-N 1 2 262.269 1.123 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1c([N+](=O)[O-])ncn1C ZINC000049235958 524795054 /nfs/dbraw/zinc/79/50/54/524795054.db2.gz OHDCPVVFIQWECH-MRVPVSSYSA-N 1 2 250.262 1.025 20 5 CDBDLO Cn1ccnc1[C@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000353439950 527464393 /nfs/dbraw/zinc/46/43/93/527464393.db2.gz XVXJHVOUBJMCKX-CYBMUJFWSA-N 1 2 290.323 1.390 20 5 CDBDLO CNc1ccc(C(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000771856885 575629147 /nfs/dbraw/zinc/62/91/47/575629147.db2.gz VHHCENFYGOIXDO-UHFFFAOYSA-N 1 2 290.279 1.690 20 5 CDBDLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000754691939 576911314 /nfs/dbraw/zinc/91/13/14/576911314.db2.gz HUWZIWQOCXSACV-QPUJVOFHSA-N 1 2 292.295 1.670 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1cc[nH]c(=O)c1[N+](=O)[O-])C2 ZINC000896654671 620184619 /nfs/dbraw/zinc/18/46/19/620184619.db2.gz QAEGSULZZUIESQ-UHFFFAOYSA-N 1 2 289.295 1.475 20 5 CDBDLO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000778242810 705417516 /nfs/dbraw/zinc/41/75/16/705417516.db2.gz XWDBPANCQJUYQC-CABCVRRESA-N 1 2 294.351 1.985 20 5 CDBDLO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000778242810 705417517 /nfs/dbraw/zinc/41/75/17/705417517.db2.gz XWDBPANCQJUYQC-CABCVRRESA-N 1 2 294.351 1.985 20 5 CDBDLO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815078387 706074449 /nfs/dbraw/zinc/07/44/49/706074449.db2.gz BGOWCFJCCHDAHW-JTQLQIEISA-N 1 2 265.313 1.436 20 5 CDBDLO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000815078387 706074458 /nfs/dbraw/zinc/07/44/58/706074458.db2.gz BGOWCFJCCHDAHW-JTQLQIEISA-N 1 2 265.313 1.436 20 5 CDBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051645 709999082 /nfs/dbraw/zinc/99/90/82/709999082.db2.gz HOKMDWXKCPYHQY-LBPRGKRZSA-N 1 2 280.299 1.997 20 5 CDBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051645 709999087 /nfs/dbraw/zinc/99/90/87/709999087.db2.gz HOKMDWXKCPYHQY-LBPRGKRZSA-N 1 2 280.299 1.997 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000872770892 710077720 /nfs/dbraw/zinc/07/77/20/710077720.db2.gz BWJPIFHEDSKAIX-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000872770892 710077727 /nfs/dbraw/zinc/07/77/27/710077727.db2.gz BWJPIFHEDSKAIX-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CCC[N@@H+](CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577914 710325027 /nfs/dbraw/zinc/32/50/27/710325027.db2.gz ARPCLLXVUIRLNA-ZDUSSCGKSA-N 1 2 296.323 1.513 20 5 CDBDLO CCC[N@H+](CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577914 710325032 /nfs/dbraw/zinc/32/50/32/710325032.db2.gz ARPCLLXVUIRLNA-ZDUSSCGKSA-N 1 2 296.323 1.513 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000886243268 710334917 /nfs/dbraw/zinc/33/49/17/710334917.db2.gz TZYIRVIQXQFEOO-UWVGGRQHSA-N 1 2 251.311 1.680 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000886243268 710334919 /nfs/dbraw/zinc/33/49/19/710334919.db2.gz TZYIRVIQXQFEOO-UWVGGRQHSA-N 1 2 251.311 1.680 20 5 CDBDLO Cc1noc(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853914321 710413786 /nfs/dbraw/zinc/41/37/86/710413786.db2.gz NEAJSUVMZWJXJH-DTORHVGOSA-N 1 2 297.311 1.807 20 5 CDBDLO Cc1noc(COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853914321 710413788 /nfs/dbraw/zinc/41/37/88/710413788.db2.gz NEAJSUVMZWJXJH-DTORHVGOSA-N 1 2 297.311 1.807 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581607 710816994 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O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038188 927647883 /nfs/dbraw/zinc/64/78/83/927647883.db2.gz WNFWZVWYHVJNAQ-JQWIXIFHSA-N 1 2 291.355 1.417 20 5 CDBDLO Nc1cc(CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])cc[nH+]1 ZINC001156757555 938415570 /nfs/dbraw/zinc/41/55/70/938415570.db2.gz VKXDMESPBBYDIS-UHFFFAOYSA-N 1 2 295.686 1.471 20 5 CDBDLO Nc1nc(NC2CN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001161320716 938888668 /nfs/dbraw/zinc/88/86/68/938888668.db2.gz PKYWAXKGNPTTSJ-UHFFFAOYSA-N 1 2 286.295 1.268 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001162682531 939115454 /nfs/dbraw/zinc/11/54/54/939115454.db2.gz DCPABCGVDJOMRY-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001162682531 939115457 /nfs/dbraw/zinc/11/54/57/939115457.db2.gz DCPABCGVDJOMRY-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO COC(=O)c1cccc(COC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001223665753 941690595 /nfs/dbraw/zinc/69/05/95/941690595.db2.gz XIBSXMMTTAAJHR-UHFFFAOYSA-N 1 2 280.280 1.212 20 5 CDBDLO C[N@@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225623347 941889366 /nfs/dbraw/zinc/88/93/66/941889366.db2.gz NPHHLCFQRGSNPO-SECBINFHSA-N 1 2 252.270 1.773 20 5 CDBDLO C[N@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225623347 941889370 /nfs/dbraw/zinc/88/93/70/941889370.db2.gz NPHHLCFQRGSNPO-SECBINFHSA-N 1 2 252.270 1.773 20 5 CDBDLO Cc1cnc(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001227236760 942154391 /nfs/dbraw/zinc/15/43/91/942154391.db2.gz JQSKYHQGDQUXTA-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cnc(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001227236760 942154393 /nfs/dbraw/zinc/15/43/93/942154393.db2.gz JQSKYHQGDQUXTA-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001228836696 942382119 /nfs/dbraw/zinc/38/21/19/942382119.db2.gz BRLDTYJLMJKSQS-CYBMUJFWSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001228836696 942382121 /nfs/dbraw/zinc/38/21/21/942382121.db2.gz BRLDTYJLMJKSQS-CYBMUJFWSA-N 1 2 266.297 1.613 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CO)C1 ZINC001254553167 947522123 /nfs/dbraw/zinc/52/21/23/947522123.db2.gz UAOZAKVGMBCVIT-YPMHNXCESA-N 1 2 280.324 1.219 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CO)C1 ZINC001254553167 947522133 /nfs/dbraw/zinc/52/21/33/947522133.db2.gz UAOZAKVGMBCVIT-YPMHNXCESA-N 1 2 280.324 1.219 20 5 CDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC(F)F)c1 ZINC001346224784 964993675 /nfs/dbraw/zinc/99/36/75/964993675.db2.gz JGWQBAWNGQXOBO-VIFPVBQESA-N 1 2 276.239 1.189 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590553171 342576409 /nfs/dbraw/zinc/57/64/09/342576409.db2.gz YTOKTOWVHFMVFM-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590553171 342576410 /nfs/dbraw/zinc/57/64/10/342576410.db2.gz YTOKTOWVHFMVFM-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1O ZINC000592357241 342688475 /nfs/dbraw/zinc/68/84/75/342688475.db2.gz XXQJETTYSSVUMH-QMMMGPOBSA-N 1 2 276.252 1.775 20 5 CDBDLO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592568741 342707609 /nfs/dbraw/zinc/70/76/09/342707609.db2.gz XNTZCXQEWKDAGK-YUMQZZPRSA-N 1 2 267.285 1.156 20 5 CDBDLO CO[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595308442 343032261 /nfs/dbraw/zinc/03/22/61/343032261.db2.gz OCRIWXHLAWCGKS-SECBINFHSA-N 1 2 255.274 1.502 20 5 CDBDLO CO[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595308442 343032262 /nfs/dbraw/zinc/03/22/62/343032262.db2.gz OCRIWXHLAWCGKS-SECBINFHSA-N 1 2 255.274 1.502 20 5 CDBDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595318030 343034321 /nfs/dbraw/zinc/03/43/21/343034321.db2.gz JUXSNOJVEUJCBB-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595318030 343034322 /nfs/dbraw/zinc/03/43/22/343034322.db2.gz JUXSNOJVEUJCBB-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000596432821 343320108 /nfs/dbraw/zinc/32/01/08/343320108.db2.gz SXMBRYBHJPZIBS-ZJUUUORDSA-N 1 2 298.318 1.650 20 5 CDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000596432821 343320111 /nfs/dbraw/zinc/32/01/11/343320111.db2.gz SXMBRYBHJPZIBS-ZJUUUORDSA-N 1 2 298.318 1.650 20 5 CDBDLO CCc1nn(C)c(NC[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092828370 342419444 /nfs/dbraw/zinc/41/94/44/342419444.db2.gz ISHDAWONSOMYLX-JTQLQIEISA-N 1 2 297.359 1.023 20 5 CDBDLO C[C@@H](O)C1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000603411655 344805761 /nfs/dbraw/zinc/80/57/61/344805761.db2.gz YCPLSEOSPFIRLT-SECBINFHSA-N 1 2 273.292 1.960 20 5 CDBDLO CC(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051153818 345089013 /nfs/dbraw/zinc/08/90/13/345089013.db2.gz LRNKUQIYCVKBEJ-UHFFFAOYSA-N 1 2 293.323 1.138 20 5 CDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000610234716 346223783 /nfs/dbraw/zinc/22/37/83/346223783.db2.gz HLGRWBNOVOIMQO-UHFFFAOYSA-N 1 2 285.263 1.833 20 5 CDBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000273981688 192388857 /nfs/dbraw/zinc/38/88/57/192388857.db2.gz QLXVXSVQGNJVDK-SNVBAGLBSA-N 1 2 286.295 1.471 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000104668906 186012205 /nfs/dbraw/zinc/01/22/05/186012205.db2.gz BJXOLGTVGGEZEV-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000104668906 186012207 /nfs/dbraw/zinc/01/22/07/186012207.db2.gz BJXOLGTVGGEZEV-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106467253 186120509 /nfs/dbraw/zinc/12/05/09/186120509.db2.gz LLGSSVWRNQVDPT-UHFFFAOYSA-N 1 2 291.311 1.505 20 5 CDBDLO C[NH+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272508326 282887564 /nfs/dbraw/zinc/88/75/64/282887564.db2.gz JWHNXAXCKOVIEJ-UHFFFAOYSA-N 1 2 299.277 1.461 20 5 CDBDLO COc1ccc(CNc2cc[nH+]c(C)n2)cc1[N+](=O)[O-] ZINC000360535800 357425694 /nfs/dbraw/zinc/42/56/94/357425694.db2.gz RCFWEJKXWHYJJR-UHFFFAOYSA-N 1 2 274.280 1.736 20 5 CDBDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000186630846 357670087 /nfs/dbraw/zinc/67/00/87/357670087.db2.gz GMXIMILRTUTCDV-AWEZNQCLSA-N 1 2 276.292 1.876 20 5 CDBDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000186630846 357670090 /nfs/dbraw/zinc/67/00/90/357670090.db2.gz GMXIMILRTUTCDV-AWEZNQCLSA-N 1 2 276.292 1.876 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000132290025 358552069 /nfs/dbraw/zinc/55/20/69/358552069.db2.gz PQKUOWGBKGIXGO-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000290799365 358598556 /nfs/dbraw/zinc/59/85/56/358598556.db2.gz YLRMUTHDRWHUHR-UHFFFAOYSA-N 1 2 276.300 1.336 20 5 CDBDLO CCc1nn(C)c(NCc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000289592558 359627616 /nfs/dbraw/zinc/62/76/16/359627616.db2.gz 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ZINC000275591144 193081880 /nfs/dbraw/zinc/08/18/80/193081880.db2.gz QTGGWDDYTGLYNL-JTQLQIEISA-N 1 2 291.311 1.453 20 5 CDBDLO O=c1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH][nH]1 ZINC000271630504 367024254 /nfs/dbraw/zinc/02/42/54/367024254.db2.gz GRPQTODDLBSORE-UHFFFAOYSA-N 1 2 289.295 1.171 20 5 CDBDLO O=c1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH][nH]1 ZINC000271630504 367024260 /nfs/dbraw/zinc/02/42/60/367024260.db2.gz GRPQTODDLBSORE-UHFFFAOYSA-N 1 2 289.295 1.171 20 5 CDBDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076348114 367027113 /nfs/dbraw/zinc/02/71/13/367027113.db2.gz OWEKNCZVJYKCOM-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076348114 367027122 /nfs/dbraw/zinc/02/71/22/367027122.db2.gz OWEKNCZVJYKCOM-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000153118429 367033811 /nfs/dbraw/zinc/03/38/11/367033811.db2.gz KKIXSMWZCYIOFO-VXGBXAGGSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000153118429 367033816 /nfs/dbraw/zinc/03/38/16/367033816.db2.gz KKIXSMWZCYIOFO-VXGBXAGGSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000153118544 367033883 /nfs/dbraw/zinc/03/38/83/367033883.db2.gz KKIXSMWZCYIOFO-NWDGAFQWSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000153118544 367033888 /nfs/dbraw/zinc/03/38/88/367033888.db2.gz KKIXSMWZCYIOFO-NWDGAFQWSA-N 1 2 296.323 1.055 20 5 CDBDLO Cc1nn(C)c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000301212745 368553634 /nfs/dbraw/zinc/55/36/34/368553634.db2.gz VZSJBCNNMCXYBL-KOLCDFICSA-N 1 2 297.359 1.158 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000269632488 373239509 /nfs/dbraw/zinc/23/95/09/373239509.db2.gz FZVHCLVJLDHAMO-RRFJBIMHSA-N 1 2 292.335 1.882 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000269632488 373239511 /nfs/dbraw/zinc/23/95/11/373239511.db2.gz FZVHCLVJLDHAMO-RRFJBIMHSA-N 1 2 292.335 1.882 20 5 CDBDLO Cc1cccc(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000041816444 374776534 /nfs/dbraw/zinc/77/65/34/374776534.db2.gz FPUQROGAMVJQHI-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000331355539 374939370 /nfs/dbraw/zinc/93/93/70/374939370.db2.gz QTXSAWJLDMVRAK-SNVBAGLBSA-N 1 2 283.353 1.803 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000331355539 374939378 /nfs/dbraw/zinc/93/93/78/374939378.db2.gz QTXSAWJLDMVRAK-SNVBAGLBSA-N 1 2 283.353 1.803 20 5 CDBDLO COc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000347321924 375547935 /nfs/dbraw/zinc/54/79/35/375547935.db2.gz AYCKGNVBQPNPEU-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO COc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000347321924 375547944 /nfs/dbraw/zinc/54/79/44/375547944.db2.gz AYCKGNVBQPNPEU-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO Cc1cccn2cc(Cn3cnc([N+](=O)[O-])c3)[nH+]c12 ZINC000031253051 375766514 /nfs/dbraw/zinc/76/65/14/375766514.db2.gz BOASEJXIKGQUTB-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO COC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000172892259 377786190 /nfs/dbraw/zinc/78/61/90/377786190.db2.gz KXUHBTPXSIXVOY-AWEZNQCLSA-N 1 2 296.323 1.321 20 5 CDBDLO COC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000172892259 377786199 /nfs/dbraw/zinc/78/61/99/377786199.db2.gz KXUHBTPXSIXVOY-AWEZNQCLSA-N 1 2 296.323 1.321 20 5 CDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCn2cc[nH+]c2C1 ZINC000491862705 253106961 /nfs/dbraw/zinc/10/69/61/253106961.db2.gz CWHADNQYPYGKHV-WAYWQWQTSA-N 1 2 298.302 1.847 20 5 CDBDLO CC(=O)NCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000519759325 391219742 /nfs/dbraw/zinc/21/97/42/391219742.db2.gz BPTIZVAEPVXAQU-UHFFFAOYSA-N 1 2 288.307 1.715 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C[NH2+]1 ZINC000237482840 391471167 /nfs/dbraw/zinc/47/11/67/391471167.db2.gz HPSUGGVFNPZNHF-RKDXNWHRSA-N 1 2 279.296 1.123 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269089980 391509937 /nfs/dbraw/zinc/50/99/37/391509937.db2.gz KWANLBCKGDMALF-UHFFFAOYSA-N 1 2 277.284 1.282 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000430208004 393093583 /nfs/dbraw/zinc/09/35/83/393093583.db2.gz ODAITNKEKFJMPO-LBPRGKRZSA-N 1 2 298.364 1.513 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1CO ZINC000430208004 393093588 /nfs/dbraw/zinc/09/35/88/393093588.db2.gz ODAITNKEKFJMPO-LBPRGKRZSA-N 1 2 298.364 1.513 20 5 CDBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270679 393036758 /nfs/dbraw/zinc/03/67/58/393036758.db2.gz CIMOIBWMPRASOQ-UHFFFAOYSA-N 1 2 285.731 1.768 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270679 393036761 /nfs/dbraw/zinc/03/67/61/393036761.db2.gz CIMOIBWMPRASOQ-UHFFFAOYSA-N 1 2 285.731 1.768 20 5 CDBDLO Cc1cc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000192645059 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CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783931 175105677 /nfs/dbraw/zinc/10/56/77/175105677.db2.gz WLQYEPDURSWGIB-NSHDSACASA-N 1 2 279.340 1.941 20 5 CDBDLO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783931 175105678 /nfs/dbraw/zinc/10/56/78/175105678.db2.gz WLQYEPDURSWGIB-NSHDSACASA-N 1 2 279.340 1.941 20 5 CDBDLO Cn1cc[nH+]c1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000071274449 176106223 /nfs/dbraw/zinc/10/62/23/176106223.db2.gz JIIBZKQSIJTICZ-UHFFFAOYSA-N 1 2 275.268 1.039 20 5 CDBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cnc([N+](=O)[O-])n1 ZINC000191559425 227036545 /nfs/dbraw/zinc/03/65/45/227036545.db2.gz ZAXKLAJPKDKYND-UHFFFAOYSA-N 1 2 284.279 1.729 20 5 CDBDLO CC[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000447793350 270391313 /nfs/dbraw/zinc/39/13/13/270391313.db2.gz BRERVUOTOWJOKF-LBPRGKRZSA-N 1 2 281.312 1.548 20 5 CDBDLO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000362960749 288090043 /nfs/dbraw/zinc/09/00/43/288090043.db2.gz 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C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccsc1[N+](=O)[O-] ZINC000588070192 342492098 /nfs/dbraw/zinc/49/20/98/342492098.db2.gz OAVCXDFAGKXXHH-GHMZBOCLSA-N 1 2 297.380 1.956 20 5 CDBDLO CC1(C)C[N@H+](CCNc2cccnc2[N+](=O)[O-])CCO1 ZINC000608779013 342037316 /nfs/dbraw/zinc/03/73/16/342037316.db2.gz JMDPGSUQRXEHLZ-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO CC1(C)C[N@@H+](CCNc2cccnc2[N+](=O)[O-])CCO1 ZINC000608779013 342037317 /nfs/dbraw/zinc/03/73/17/342037317.db2.gz JMDPGSUQRXEHLZ-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO Cc1ccnc(N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000070496124 361983306 /nfs/dbraw/zinc/98/33/06/361983306.db2.gz KFIFYVVGVRDMJL-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO C[C@H](NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600707978 342243343 /nfs/dbraw/zinc/24/33/43/342243343.db2.gz CERFVIVJSCTBHU-JQWIXIFHSA-N 1 2 265.313 1.234 20 5 CDBDLO CC[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000293018111 529506027 /nfs/dbraw/zinc/50/60/27/529506027.db2.gz 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[NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000598669384 343872281 /nfs/dbraw/zinc/87/22/81/343872281.db2.gz IWMWDYOSAAKQGV-YGRLFVJLSA-N 1 2 291.307 1.254 20 5 CDBDLO CCc1nn(C)c(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000271219657 191009547 /nfs/dbraw/zinc/00/95/47/191009547.db2.gz CLDSRHPLDMPDEQ-UHFFFAOYSA-N 1 2 290.327 1.810 20 5 CDBDLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124267411 187129146 /nfs/dbraw/zinc/12/91/46/187129146.db2.gz LHONUPIBEASPDT-AWEZNQCLSA-N 1 2 293.323 1.380 20 5 CDBDLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124267411 187129147 /nfs/dbraw/zinc/12/91/47/187129147.db2.gz LHONUPIBEASPDT-AWEZNQCLSA-N 1 2 293.323 1.380 20 5 CDBDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000411964510 363390651 /nfs/dbraw/zinc/39/06/51/363390651.db2.gz YXVTZGRJRZCDCH-JTQLQIEISA-N 1 2 293.323 1.211 20 5 CDBDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000411964510 363390656 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COc1cc([N+](=O)[O-])ccc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297011462 200061662 /nfs/dbraw/zinc/06/16/62/200061662.db2.gz HNCRUSIRMNJFSO-UHFFFAOYSA-N 1 2 293.323 1.426 20 5 CDBDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000173368483 364038492 /nfs/dbraw/zinc/03/84/92/364038492.db2.gz QAQNWZXWBJKFRY-VIFPVBQESA-N 1 2 275.312 1.883 20 5 CDBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774681 367021873 /nfs/dbraw/zinc/02/18/73/367021873.db2.gz VUXXBHHJTLQCDX-UHFFFAOYSA-N 1 2 281.287 1.444 20 5 CDBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774681 367021876 /nfs/dbraw/zinc/02/18/76/367021876.db2.gz VUXXBHHJTLQCDX-UHFFFAOYSA-N 1 2 281.287 1.444 20 5 CDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000295590347 370505124 /nfs/dbraw/zinc/50/51/24/370505124.db2.gz HUEPJSIRUIIWCZ-UHFFFAOYSA-N 1 2 280.309 1.803 20 5 CDBDLO Cc1cc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)no1 ZINC000370027428 374374473 /nfs/dbraw/zinc/37/44/73/374374473.db2.gz OAKIKZOMOSMOOZ-GFCCVEGCSA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1cc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)no1 ZINC000370027428 374374478 /nfs/dbraw/zinc/37/44/78/374374478.db2.gz OAKIKZOMOSMOOZ-GFCCVEGCSA-N 1 2 291.311 1.925 20 5 CDBDLO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000279770799 374958349 /nfs/dbraw/zinc/95/83/49/374958349.db2.gz NBQDIJKUBALTIV-LBPRGKRZSA-N 1 2 266.297 1.679 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000280796918 375024816 /nfs/dbraw/zinc/02/48/16/375024816.db2.gz IBOJPVWOCLZQDU-SNVBAGLBSA-N 1 2 266.297 1.897 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000280796918 375024821 /nfs/dbraw/zinc/02/48/21/375024821.db2.gz IBOJPVWOCLZQDU-SNVBAGLBSA-N 1 2 266.297 1.897 20 5 CDBDLO CC(C)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000351254120 375281710 /nfs/dbraw/zinc/28/17/10/375281710.db2.gz PHPIYJOJGLSHMQ-ZDUSSCGKSA-N 1 2 295.339 1.113 20 5 CDBDLO CC(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000351254120 375281715 /nfs/dbraw/zinc/28/17/15/375281715.db2.gz PHPIYJOJGLSHMQ-ZDUSSCGKSA-N 1 2 295.339 1.113 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493445869 375454307 /nfs/dbraw/zinc/45/43/07/375454307.db2.gz USUDXQZETHFQHA-GHMZBOCLSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493445869 375454312 /nfs/dbraw/zinc/45/43/12/375454312.db2.gz USUDXQZETHFQHA-GHMZBOCLSA-N 1 2 291.307 1.792 20 5 CDBDLO COc1cc(NCC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000230354861 375568146 /nfs/dbraw/zinc/56/81/46/375568146.db2.gz DROJPNFPIANLHJ-UHFFFAOYSA-N 1 2 299.302 1.487 20 5 CDBDLO C[C@@H]1[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075146 375881576 /nfs/dbraw/zinc/88/15/76/375881576.db2.gz VIXIHUIUWQKDOO-OLZOCXBDSA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075146 375881583 /nfs/dbraw/zinc/88/15/83/375881583.db2.gz VIXIHUIUWQKDOO-OLZOCXBDSA-N 1 2 293.367 1.998 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048922082 390467292 /nfs/dbraw/zinc/46/72/92/390467292.db2.gz SRYOXLWGYWPLEH-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048922082 390467294 /nfs/dbraw/zinc/46/72/94/390467294.db2.gz SRYOXLWGYWPLEH-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338912763 390675178 /nfs/dbraw/zinc/67/51/78/390675178.db2.gz RXGRHEKWTQLILM-UHFFFAOYSA-N 1 2 266.297 1.911 20 5 CDBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338912763 390675180 /nfs/dbraw/zinc/67/51/80/390675180.db2.gz RXGRHEKWTQLILM-UHFFFAOYSA-N 1 2 266.297 1.911 20 5 CDBDLO Nc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000365685828 391161398 /nfs/dbraw/zinc/16/13/98/391161398.db2.gz LAULLFJLZMYODF-UHFFFAOYSA-N 1 2 287.279 1.030 20 5 CDBDLO COC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449283939 393131329 /nfs/dbraw/zinc/13/13/29/393131329.db2.gz MUVYXJZUYMAIAN-UWVGGRQHSA-N 1 2 266.297 1.677 20 5 CDBDLO COc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000189099713 140108347 /nfs/dbraw/zinc/10/83/47/140108347.db2.gz DVZYRBYSLIWBFX-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO COc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000189099713 140108348 /nfs/dbraw/zinc/10/83/48/140108348.db2.gz DVZYRBYSLIWBFX-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)nc1 ZINC000093534871 147057194 /nfs/dbraw/zinc/05/71/94/147057194.db2.gz AORGTRANQAINOJ-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)nc1 ZINC000093534871 147057196 /nfs/dbraw/zinc/05/71/96/147057196.db2.gz AORGTRANQAINOJ-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179579020 148122090 /nfs/dbraw/zinc/12/20/90/148122090.db2.gz RNJFOJWFUNREIJ-LLVKDONJSA-N 1 2 263.297 1.353 20 5 CDBDLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179579020 148122093 /nfs/dbraw/zinc/12/20/93/148122093.db2.gz RNJFOJWFUNREIJ-LLVKDONJSA-N 1 2 263.297 1.353 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000362394416 159138189 /nfs/dbraw/zinc/13/81/89/159138189.db2.gz DGUNKEWGGKLVBH-UHFFFAOYSA-N 1 2 289.295 1.355 20 5 CDBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330455451 287040364 /nfs/dbraw/zinc/04/03/64/287040364.db2.gz NVXAIJZHLXUNEX-NXEZZACHSA-N 1 2 266.297 1.815 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+]1CCCC1 ZINC000068064989 279204414 /nfs/dbraw/zinc/20/44/14/279204414.db2.gz MGVIRBYISVIHFZ-SNVBAGLBSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000363378269 525565577 /nfs/dbraw/zinc/56/55/77/525565577.db2.gz SXKBUHIHNFCIPL-UHFFFAOYSA-N 1 2 293.323 1.564 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCOCC1 ZINC000363378269 525565588 /nfs/dbraw/zinc/56/55/88/525565588.db2.gz SXKBUHIHNFCIPL-UHFFFAOYSA-N 1 2 293.323 1.564 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)C1CC1 ZINC000763433321 576736847 /nfs/dbraw/zinc/73/68/47/576736847.db2.gz QMPNVDDARIILND-GFCCVEGCSA-N 1 2 266.297 1.551 20 5 CDBDLO COc1cc([N+](=O)[O-])cnc1NCCCn1cc[nH+]c1 ZINC000891408153 617385770 /nfs/dbraw/zinc/38/57/70/617385770.db2.gz HMPQWCVPEDAGAM-UHFFFAOYSA-N 1 2 277.284 1.697 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCC1=O ZINC000857235565 617804990 /nfs/dbraw/zinc/80/49/90/617804990.db2.gz AKQTYHHYFNDVGJ-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCC1=O ZINC000857235565 617804995 /nfs/dbraw/zinc/80/49/95/617804995.db2.gz AKQTYHHYFNDVGJ-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000894470967 618906024 /nfs/dbraw/zinc/90/60/24/618906024.db2.gz FMTURZFKAKBBQF-SECBINFHSA-N 1 2 271.296 1.174 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000894470967 618906025 /nfs/dbraw/zinc/90/60/25/618906025.db2.gz FMTURZFKAKBBQF-SECBINFHSA-N 1 2 271.296 1.174 20 5 CDBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246681 619491617 /nfs/dbraw/zinc/49/16/17/619491617.db2.gz PBKSSZDKBGQNOW-KOLCDFICSA-N 1 2 284.385 1.703 20 5 CDBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246681 619491618 /nfs/dbraw/zinc/49/16/18/619491618.db2.gz PBKSSZDKBGQNOW-KOLCDFICSA-N 1 2 284.385 1.703 20 5 CDBDLO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509888 1162092189 /nfs/dbraw/zinc/09/21/89/1162092189.db2.gz WFMAHJRCDZIOOB-YPMHNXCESA-N 1 2 280.328 1.701 20 5 CDBDLO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509888 1162092191 /nfs/dbraw/zinc/09/21/91/1162092191.db2.gz WFMAHJRCDZIOOB-YPMHNXCESA-N 1 2 280.328 1.701 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000155593007 1178163467 /nfs/dbraw/zinc/16/34/67/1178163467.db2.gz DBKBYDPAFDHNGD-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000155593007 1178163472 /nfs/dbraw/zinc/16/34/72/1178163472.db2.gz DBKBYDPAFDHNGD-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCNC(=O)C1 ZINC000876640320 1165884748 /nfs/dbraw/zinc/88/47/48/1165884748.db2.gz QTCCOTROAWAFFP-UHFFFAOYSA-N 1 2 277.324 1.534 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCNC(=O)C1 ZINC000876640320 1165884751 /nfs/dbraw/zinc/88/47/51/1165884751.db2.gz QTCCOTROAWAFFP-UHFFFAOYSA-N 1 2 277.324 1.534 20 5 CDBDLO Nc1cc([N+](=O)[O-])cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125435 894658482 /nfs/dbraw/zinc/65/84/82/894658482.db2.gz CDTCSTAKSDCKNL-UHFFFAOYSA-N 1 2 288.311 1.610 20 5 CDBDLO Nc1cc(N2CCC(n3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC001167126440 894660046 /nfs/dbraw/zinc/66/00/46/894660046.db2.gz UCLNURIKKYFANY-UHFFFAOYSA-N 1 2 288.311 1.610 20 5 CDBDLO O=[N+]([O-])c1cc[n+]([O-])cc1NCCc1cn2ccccc2[nH+]1 ZINC001169004199 927609321 /nfs/dbraw/zinc/60/93/21/927609321.db2.gz LGPZNFPDMDLNRT-UHFFFAOYSA-N 1 2 299.290 1.531 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001152207101 937344593 /nfs/dbraw/zinc/34/45/93/937344593.db2.gz WMPHHQQHDRJVBR-UHFFFAOYSA-N 1 2 290.279 1.185 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000826574191 931128528 /nfs/dbraw/zinc/12/85/28/931128528.db2.gz PLRHFEALSHGUST-SNVBAGLBSA-N 1 2 299.277 1.128 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000826574191 931128531 /nfs/dbraw/zinc/12/85/31/931128531.db2.gz PLRHFEALSHGUST-SNVBAGLBSA-N 1 2 299.277 1.128 20 5 CDBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1C[NH+]2CCC1CC2 ZINC001155668015 937662112 /nfs/dbraw/zinc/66/21/12/937662112.db2.gz RLRWLKNDCHIAAT-VIFPVBQESA-N 1 2 298.730 1.388 20 5 CDBDLO [NH3+]CCON=c1[nH]c(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001164414946 939471757 /nfs/dbraw/zinc/47/17/57/939471757.db2.gz PFNTZBSSRORHSU-UHFFFAOYSA-N 1 2 274.280 1.959 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225913514 941928802 /nfs/dbraw/zinc/92/88/02/941928802.db2.gz UXTFNTVDDACLBE-SNVBAGLBSA-N 1 2 284.287 1.833 20 5 CDBDLO Cc1ccc(OC2C[NH+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227221864 942152716 /nfs/dbraw/zinc/15/27/16/942152716.db2.gz FIDURCYLRCUYIU-UHFFFAOYSA-N 1 2 251.286 1.770 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001228921964 942394538 /nfs/dbraw/zinc/39/45/38/942394538.db2.gz SEEINRAYLLWHRM-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001228921964 942394545 /nfs/dbraw/zinc/39/45/45/942394545.db2.gz SEEINRAYLLWHRM-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO Cn1c[nH+]cc1CCCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC001525847278 970997829 /nfs/dbraw/zinc/99/78/29/970997829.db2.gz JFPQDPPSHCUOFS-UHFFFAOYSA-N 1 2 292.295 1.456 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1c(C)cncc1[N+](=O)[O-] ZINC001330114320 956281655 /nfs/dbraw/zinc/28/16/55/956281655.db2.gz HOYZZBZLXAVVTR-LBPRGKRZSA-N 1 2 294.355 1.243 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1c(C)cncc1[N+](=O)[O-] ZINC001330114320 956281662 /nfs/dbraw/zinc/28/16/62/956281662.db2.gz HOYZZBZLXAVVTR-LBPRGKRZSA-N 1 2 294.355 1.243 20 5 CDBDLO COc1ccc(-c2cc(C[NH2+]CC[N+](=O)[O-])on2)cc1 ZINC001335420730 959789258 /nfs/dbraw/zinc/78/92/58/959789258.db2.gz GXUVQNCOXUFWQI-UHFFFAOYSA-N 1 2 277.280 1.717 20 5 CDBDLO COc1ccc(Cc2nnc(C[NH+](C)C)o2)cc1[N+](=O)[O-] ZINC001322583583 960266672 /nfs/dbraw/zinc/26/66/72/960266672.db2.gz RJHOKMVWJFEKIA-UHFFFAOYSA-N 1 2 292.295 1.639 20 5 CDBDLO CC(C)COC[C@H]([NH2+]CC[N+](=O)[O-])c1ccco1 ZINC001341046249 963251151 /nfs/dbraw/zinc/25/11/51/963251151.db2.gz TZNHTRFOVDXROC-NSHDSACASA-N 1 2 256.302 1.860 20 5 CDBDLO Cc1ccn2cc(CNc3ccc(N)c([N+](=O)[O-])n3)[nH+]c2c1 ZINC000590573878 342577247 /nfs/dbraw/zinc/57/72/47/342577247.db2.gz HUMLIVCRMXHMMW-UHFFFAOYSA-N 1 2 298.306 1.562 20 5 CDBDLO Cc1cc(=O)n(Cc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000600531573 342230348 /nfs/dbraw/zinc/23/03/48/342230348.db2.gz UZAMPEUNQFZECQ-UHFFFAOYSA-N 1 2 288.307 1.574 20 5 CDBDLO CCn1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC000404415373 349772851 /nfs/dbraw/zinc/77/28/51/349772851.db2.gz MYMSZJKTJBZHCN-UHFFFAOYSA-N 1 2 267.314 1.558 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000595433561 343059158 /nfs/dbraw/zinc/05/91/58/343059158.db2.gz SFDAIEXJZZQTCA-CYBMUJFWSA-N 1 2 295.314 1.250 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000595433561 343059159 /nfs/dbraw/zinc/05/91/59/343059159.db2.gz SFDAIEXJZZQTCA-CYBMUJFWSA-N 1 2 295.314 1.250 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092041462 342409804 /nfs/dbraw/zinc/40/98/04/342409804.db2.gz BBQFXTXTJXJMFC-HRLNJXSSSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092041462 342409805 /nfs/dbraw/zinc/40/98/05/342409805.db2.gz BBQFXTXTJXJMFC-HRLNJXSSSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436979242 362244133 /nfs/dbraw/zinc/24/41/33/362244133.db2.gz LEFGPTAHDYMRFQ-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@@H](CNc1ncccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380059 348888108 /nfs/dbraw/zinc/88/81/08/348888108.db2.gz ZLGBKFHLDIQHNU-JTQLQIEISA-N 1 2 261.285 1.935 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000619693853 350835011 /nfs/dbraw/zinc/83/50/11/350835011.db2.gz JHWCEQZWKDKQEY-JTQLQIEISA-N 1 2 298.368 1.352 20 5 CDBDLO Cc1c[nH+]ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000122132408 187016611 /nfs/dbraw/zinc/01/66/11/187016611.db2.gz WGOUSFFCPWHVSK-UHFFFAOYSA-N 1 2 290.283 1.316 20 5 CDBDLO O=C(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NC1CC1 ZINC000413030506 363192693 /nfs/dbraw/zinc/19/26/93/363192693.db2.gz HIKADDKTGLDARG-UHFFFAOYSA-N 1 2 286.291 1.834 20 5 CDBDLO COc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1[N+](=O)[O-] ZINC000109891382 358476185 /nfs/dbraw/zinc/47/61/85/358476185.db2.gz YMSAMUVECZVYPW-UHFFFAOYSA-N 1 2 289.247 1.956 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411992896 363403165 /nfs/dbraw/zinc/40/31/65/363403165.db2.gz XNJBOYRAUFYNAQ-MFKMUULPSA-N 1 2 296.323 1.178 20 5 CDBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106879517 357282789 /nfs/dbraw/zinc/28/27/89/357282789.db2.gz BEZDCAMBCBYMCK-VIFPVBQESA-N 1 2 254.261 1.955 20 5 CDBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106879517 357282795 /nfs/dbraw/zinc/28/27/95/357282795.db2.gz BEZDCAMBCBYMCK-VIFPVBQESA-N 1 2 254.261 1.955 20 5 CDBDLO CCn1ncnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343235 357331213 /nfs/dbraw/zinc/33/12/13/357331213.db2.gz BZRQILUZOPLKFI-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO CCn1ncnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343235 357331214 /nfs/dbraw/zinc/33/12/14/357331214.db2.gz BZRQILUZOPLKFI-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])cn1)CCC2 ZINC000361189220 357822892 /nfs/dbraw/zinc/82/28/92/357822892.db2.gz QLQNWNYGNPAJHC-LLVKDONJSA-N 1 2 287.323 1.906 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])s1 ZINC000192497016 358209068 /nfs/dbraw/zinc/20/90/68/358209068.db2.gz LUTYNOSIMDAUNM-UHFFFAOYSA-N 1 2 267.314 1.774 20 5 CDBDLO Cc1nn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000567628249 358709871 /nfs/dbraw/zinc/70/98/71/358709871.db2.gz NHFMIVKUMSOJPT-UWVGGRQHSA-N 1 2 282.344 1.517 20 5 CDBDLO Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C)[nH+]1 ZINC000176295484 358809844 /nfs/dbraw/zinc/80/98/44/358809844.db2.gz KMMGVNSRXSVBNB-UHFFFAOYSA-N 1 2 275.268 1.442 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000342419718 359049624 /nfs/dbraw/zinc/04/96/24/359049624.db2.gz VOBRMDJXSLULSU-UHFFFAOYSA-N 1 2 291.267 1.136 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2ccc(C)c([N+](=O)[O-])c2=O)c1 ZINC000339689113 359429623 /nfs/dbraw/zinc/42/96/23/359429623.db2.gz WQAIEINPNCTRLT-UHFFFAOYSA-N 1 2 289.291 1.825 20 5 CDBDLO COC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000172882438 363842340 /nfs/dbraw/zinc/84/23/40/363842340.db2.gz YDFFDPVKKGLUHF-LBPRGKRZSA-N 1 2 296.323 1.321 20 5 CDBDLO COC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000172882438 363842343 /nfs/dbraw/zinc/84/23/43/363842343.db2.gz YDFFDPVKKGLUHF-LBPRGKRZSA-N 1 2 296.323 1.321 20 5 CDBDLO CN(CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000264170220 364154446 /nfs/dbraw/zinc/15/44/46/364154446.db2.gz ZWQMUCVCAOPZIL-UHFFFAOYSA-N 1 2 265.313 1.363 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CC(C(F)(F)F)C2)c1 ZINC000569426157 294192716 /nfs/dbraw/zinc/19/27/16/294192716.db2.gz ACNSYRBZBZSATL-UHFFFAOYSA-N 1 2 264.207 1.285 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000280796915 367537723 /nfs/dbraw/zinc/53/77/23/367537723.db2.gz IBOJPVWOCLZQDU-JTQLQIEISA-N 1 2 266.297 1.897 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000280796915 367537727 /nfs/dbraw/zinc/53/77/27/367537727.db2.gz IBOJPVWOCLZQDU-JTQLQIEISA-N 1 2 266.297 1.897 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000272335195 367681621 /nfs/dbraw/zinc/68/16/21/367681621.db2.gz NLOFURILOMBWKB-DGCLKSJQSA-N 1 2 280.324 1.657 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000272335195 367681627 /nfs/dbraw/zinc/68/16/27/367681627.db2.gz NLOFURILOMBWKB-DGCLKSJQSA-N 1 2 280.324 1.657 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1CO ZINC000330862014 203325391 /nfs/dbraw/zinc/32/53/91/203325391.db2.gz XDFCXZVOUUFCPN-GFCCVEGCSA-N 1 2 298.364 1.513 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1CO ZINC000330862014 203325394 /nfs/dbraw/zinc/32/53/94/203325394.db2.gz XDFCXZVOUUFCPN-GFCCVEGCSA-N 1 2 298.364 1.513 20 5 CDBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000129891550 370059218 /nfs/dbraw/zinc/05/92/18/370059218.db2.gz CVGVYNASKBRSTD-SNVBAGLBSA-N 1 2 284.316 1.063 20 5 CDBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000129891550 370059226 /nfs/dbraw/zinc/05/92/26/370059226.db2.gz CVGVYNASKBRSTD-SNVBAGLBSA-N 1 2 284.316 1.063 20 5 CDBDLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000090824872 370190552 /nfs/dbraw/zinc/19/05/52/370190552.db2.gz UCFRCWNIJUKXOJ-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000090824872 370190557 /nfs/dbraw/zinc/19/05/57/370190557.db2.gz UCFRCWNIJUKXOJ-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO C[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295749369 370618948 /nfs/dbraw/zinc/61/89/48/370618948.db2.gz QPTVJDBRNBTHKG-AAEUAGOBSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295749369 370618953 /nfs/dbraw/zinc/61/89/53/370618953.db2.gz QPTVJDBRNBTHKG-AAEUAGOBSA-N 1 2 296.323 1.055 20 5 CDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000368200385 371908023 /nfs/dbraw/zinc/90/80/23/371908023.db2.gz IVOFHBMWEBDHKK-AATRIKPKSA-N 1 2 298.302 1.847 20 5 CDBDLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000272929692 372383109 /nfs/dbraw/zinc/38/31/09/372383109.db2.gz VDSPVEVDXWOWDA-ZWNOBZJWSA-N 1 2 293.323 1.103 20 5 CDBDLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000272929692 372383114 /nfs/dbraw/zinc/38/31/14/372383114.db2.gz VDSPVEVDXWOWDA-ZWNOBZJWSA-N 1 2 293.323 1.103 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423724315 246003662 /nfs/dbraw/zinc/00/36/62/246003662.db2.gz HUJWTQKOHKNXGH-ZANVPECISA-N 1 2 277.280 1.239 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418943614 374268867 /nfs/dbraw/zinc/26/88/67/374268867.db2.gz JCUKCLISJIEHSF-PHIMTYICSA-N 1 2 296.298 1.976 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418943614 374268871 /nfs/dbraw/zinc/26/88/71/374268871.db2.gz JCUKCLISJIEHSF-PHIMTYICSA-N 1 2 296.298 1.976 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000449525357 374818072 /nfs/dbraw/zinc/81/80/72/374818072.db2.gz RIWUZJPAGQMTOM-HUMZTAOYSA-N 1 2 289.335 1.818 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000449525357 374818077 /nfs/dbraw/zinc/81/80/77/374818077.db2.gz RIWUZJPAGQMTOM-HUMZTAOYSA-N 1 2 289.335 1.818 20 5 CDBDLO Cc1ccnc(NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000277555762 374793157 /nfs/dbraw/zinc/79/31/57/374793157.db2.gz YCKQQGQCJPRBEQ-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000353104181 375576787 /nfs/dbraw/zinc/57/67/87/375576787.db2.gz ATYJMXNMWYUYHN-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353614316 375633271 /nfs/dbraw/zinc/63/32/71/375633271.db2.gz SFRDGXAMUDYDAD-SNVBAGLBSA-N 1 2 266.297 1.978 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353614316 375633275 /nfs/dbraw/zinc/63/32/75/375633275.db2.gz SFRDGXAMUDYDAD-SNVBAGLBSA-N 1 2 266.297 1.978 20 5 CDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])o1 ZINC000428007778 247228780 /nfs/dbraw/zinc/22/87/80/247228780.db2.gz XVJBFWNBYOULOC-QMMMGPOBSA-N 1 2 276.252 1.129 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000355087139 375775167 /nfs/dbraw/zinc/77/51/67/375775167.db2.gz LZDXTJODKAXTOJ-LLVKDONJSA-N 1 2 293.323 1.045 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000355087139 375775172 /nfs/dbraw/zinc/77/51/72/375775172.db2.gz LZDXTJODKAXTOJ-LLVKDONJSA-N 1 2 293.323 1.045 20 5 CDBDLO CC(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232659364 375856946 /nfs/dbraw/zinc/85/69/46/375856946.db2.gz DKLKMAJRDLHVJM-UHFFFAOYSA-N 1 2 267.285 1.627 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000172686952 377694133 /nfs/dbraw/zinc/69/41/33/377694133.db2.gz USLUYQVWWCFORH-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267017754 379204575 /nfs/dbraw/zinc/20/45/75/379204575.db2.gz JJNPIFQTZMJCKC-ZDUSSCGKSA-N 1 2 295.314 1.834 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267017754 379204586 /nfs/dbraw/zinc/20/45/86/379204586.db2.gz JJNPIFQTZMJCKC-ZDUSSCGKSA-N 1 2 295.314 1.834 20 5 CDBDLO O=[N+]([O-])c1cnc(-n2cc[nH+]c2)c(Br)c1 ZINC000081941956 285170381 /nfs/dbraw/zinc/17/03/81/285170381.db2.gz WVDLRCJMEMLUKZ-UHFFFAOYSA-N 1 2 269.058 1.938 20 5 CDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000120997627 391119283 /nfs/dbraw/zinc/11/92/83/391119283.db2.gz CWWWPHPOPUAOFJ-KBPBESRZSA-N 1 2 277.324 1.110 20 5 CDBDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000120997627 391119288 /nfs/dbraw/zinc/11/92/88/391119288.db2.gz CWWWPHPOPUAOFJ-KBPBESRZSA-N 1 2 277.324 1.110 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000413125389 391162738 /nfs/dbraw/zinc/16/27/38/391162738.db2.gz QOUHNMJCCXBLFD-NXEZZACHSA-N 1 2 298.318 1.650 20 5 CDBDLO Cc1nc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000290615429 391214807 /nfs/dbraw/zinc/21/48/07/391214807.db2.gz FZPJXIADEQWBFT-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076419417 392636468 /nfs/dbraw/zinc/63/64/68/392636468.db2.gz ORCYMIAEECFGTD-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076419417 392636474 /nfs/dbraw/zinc/63/64/74/392636474.db2.gz ORCYMIAEECFGTD-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430214370 393092549 /nfs/dbraw/zinc/09/25/49/393092549.db2.gz YQQGLSOVIQEBNB-LLVKDONJSA-N 1 2 279.296 1.053 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000430214370 393092554 /nfs/dbraw/zinc/09/25/54/393092554.db2.gz YQQGLSOVIQEBNB-LLVKDONJSA-N 1 2 279.296 1.053 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000121137107 147361654 /nfs/dbraw/zinc/36/16/54/147361654.db2.gz LMNDDHYNSYHPRD-CYBMUJFWSA-N 1 2 292.295 1.458 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000121137107 147361658 /nfs/dbraw/zinc/36/16/58/147361658.db2.gz LMNDDHYNSYHPRD-CYBMUJFWSA-N 1 2 292.295 1.458 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070991595 176020188 /nfs/dbraw/zinc/02/01/88/176020188.db2.gz MKEUQVXTLWXSCM-UHFFFAOYSA-N 1 2 280.671 1.901 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000048623830 424267231 /nfs/dbraw/zinc/26/72/31/424267231.db2.gz BJEUQUCVGYTYAH-UHFFFAOYSA-N 1 2 260.253 1.221 20 5 CDBDLO CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C)[NH3+] ZINC000399753183 270375445 /nfs/dbraw/zinc/37/54/45/270375445.db2.gz VJBIUDBOFHFPSO-PELKAZGASA-N 1 2 281.312 1.858 20 5 CDBDLO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184742323 289295547 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JKYYQPDDLXEVSY-UHFFFAOYSA-N 1 2 276.300 1.709 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC=C(F)C1 ZINC000602798107 344588561 /nfs/dbraw/zinc/58/85/61/344588561.db2.gz MRAFXMMCGGPWGN-UHFFFAOYSA-N 1 2 254.265 1.659 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC=C(F)C1 ZINC000602798107 344588563 /nfs/dbraw/zinc/58/85/63/344588563.db2.gz MRAFXMMCGGPWGN-UHFFFAOYSA-N 1 2 254.265 1.659 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051688085 345169445 /nfs/dbraw/zinc/16/94/45/345169445.db2.gz LUWPWSPNHRZWCP-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051688085 345169446 /nfs/dbraw/zinc/16/94/46/345169446.db2.gz LUWPWSPNHRZWCP-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO COc1ccc(CN2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000291673451 198059347 /nfs/dbraw/zinc/05/93/47/198059347.db2.gz WNDJZDJSMHTGQL-UHFFFAOYSA-N 1 2 288.307 1.816 20 5 CDBDLO CC(C)([NH2+]Cc1nccc(N)n1)c1ccccc1[N+](=O)[O-] ZINC000292218328 198206745 /nfs/dbraw/zinc/20/67/45/198206745.db2.gz USROMFBZUDQPPO-UHFFFAOYSA-N 1 2 287.323 1.992 20 5 CDBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000152393931 188015763 /nfs/dbraw/zinc/01/57/63/188015763.db2.gz BVUICIWDCORJDY-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000152393931 188015764 /nfs/dbraw/zinc/01/57/64/188015764.db2.gz BVUICIWDCORJDY-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO COc1cc[nH+]cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000286336188 356259702 /nfs/dbraw/zinc/25/97/02/356259702.db2.gz AUCURCIGTZPTKJ-UHFFFAOYSA-N 1 2 262.269 1.860 20 5 CDBDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250150 356303094 /nfs/dbraw/zinc/30/30/94/356303094.db2.gz QQZHLBSSPAIWEQ-GHMZBOCLSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250150 356303098 /nfs/dbraw/zinc/30/30/98/356303098.db2.gz QQZHLBSSPAIWEQ-GHMZBOCLSA-N 1 2 280.324 1.893 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000106883937 357284700 /nfs/dbraw/zinc/28/47/00/357284700.db2.gz HLXXMZVWPPLWAY-GFCCVEGCSA-N 1 2 293.323 1.562 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000106883937 357284701 /nfs/dbraw/zinc/28/47/01/357284701.db2.gz HLXXMZVWPPLWAY-GFCCVEGCSA-N 1 2 293.323 1.562 20 5 CDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181555430 357360614 /nfs/dbraw/zinc/36/06/14/357360614.db2.gz QKAGGUBSAGFXJQ-UHFFFAOYSA-N 1 2 284.337 1.463 20 5 CDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181555430 357360617 /nfs/dbraw/zinc/36/06/17/357360617.db2.gz QKAGGUBSAGFXJQ-UHFFFAOYSA-N 1 2 284.337 1.463 20 5 CDBDLO O=[N+]([O-])c1cnc(NCCC[NH+]2CCOCC2)s1 ZINC000189681582 358035455 /nfs/dbraw/zinc/03/54/55/358035455.db2.gz ZDPOBJBTEUQHCH-UHFFFAOYSA-N 1 2 272.330 1.186 20 5 CDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189821529 358041592 /nfs/dbraw/zinc/04/15/92/358041592.db2.gz OZPROVIGOSBYQY-CQSZACIVSA-N 1 2 291.351 1.941 20 5 CDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189821529 358041595 /nfs/dbraw/zinc/04/15/95/358041595.db2.gz OZPROVIGOSBYQY-CQSZACIVSA-N 1 2 291.351 1.941 20 5 CDBDLO C[C@H]1C[N@H+](CCN(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963143 358252989 /nfs/dbraw/zinc/25/29/89/358252989.db2.gz SPCYIHVMRCPJKD-ZDUSSCGKSA-N 1 2 293.367 1.747 20 5 CDBDLO C[C@H]1C[N@@H+](CCN(C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963143 358252991 /nfs/dbraw/zinc/25/29/91/358252991.db2.gz SPCYIHVMRCPJKD-ZDUSSCGKSA-N 1 2 293.367 1.747 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000048336688 359201854 /nfs/dbraw/zinc/20/18/54/359201854.db2.gz GDSXLTPBZUUKNT-LLVKDONJSA-N 1 2 265.313 1.727 20 5 CDBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050065794 359566022 /nfs/dbraw/zinc/56/60/22/359566022.db2.gz OSFWFXZMETYDFD-UHFFFAOYSA-N 1 2 296.323 1.988 20 5 CDBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050065794 359566030 /nfs/dbraw/zinc/56/60/30/359566030.db2.gz OSFWFXZMETYDFD-UHFFFAOYSA-N 1 2 296.323 1.988 20 5 CDBDLO COC(=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178868124 189151692 /nfs/dbraw/zinc/15/16/92/189151692.db2.gz QNXZKKARQVTGOD-CYBMUJFWSA-N 1 2 296.323 1.512 20 5 CDBDLO COC(=O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178868124 189151693 /nfs/dbraw/zinc/15/16/93/189151693.db2.gz QNXZKKARQVTGOD-CYBMUJFWSA-N 1 2 296.323 1.512 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000063703063 361426419 /nfs/dbraw/zinc/42/64/19/361426419.db2.gz BNVROXADWFJUHL-UHFFFAOYSA-N 1 2 263.297 1.291 20 5 CDBDLO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H](C)[NH+]1CCOCC1 ZINC000192451146 189622261 /nfs/dbraw/zinc/62/22/61/189622261.db2.gz IOOYHIXXSVJDQS-IUCAKERBSA-N 1 2 286.357 1.572 20 5 CDBDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412099042 240006887 /nfs/dbraw/zinc/00/68/87/240006887.db2.gz VZGCUDKKUGRPPM-WDEREUQCSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412099042 240006892 /nfs/dbraw/zinc/00/68/92/240006892.db2.gz VZGCUDKKUGRPPM-WDEREUQCSA-N 1 2 280.324 1.893 20 5 CDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCNC1=O ZINC000440969563 367338538 /nfs/dbraw/zinc/33/85/38/367338538.db2.gz YCOITKCWHLCPHA-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCNC1=O ZINC000440969563 367338543 /nfs/dbraw/zinc/33/85/43/367338543.db2.gz YCOITKCWHLCPHA-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO CC1(C)COCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000170869411 369982548 /nfs/dbraw/zinc/98/25/48/369982548.db2.gz YUZLANPZQFASNL-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO CC1(C)COCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000170869411 369982551 /nfs/dbraw/zinc/98/25/51/369982551.db2.gz YUZLANPZQFASNL-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000067029977 374383271 /nfs/dbraw/zinc/38/32/71/374383271.db2.gz GYRBPAPRBRBPCU-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO COC(=O)C1(C)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000425376887 374437353 /nfs/dbraw/zinc/43/73/53/374437353.db2.gz YPDXELAJNXXIME-UHFFFAOYSA-N 1 2 264.281 1.590 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275173440 374691667 /nfs/dbraw/zinc/69/16/67/374691667.db2.gz AZXMWYWXPPRNCZ-UHFFFAOYSA-N 1 2 263.297 1.417 20 5 CDBDLO CCc1nnc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000449344453 374801239 /nfs/dbraw/zinc/80/12/39/374801239.db2.gz CLMMJXFLWJJSFC-UHFFFAOYSA-N 1 2 291.311 1.574 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347265518 375079232 /nfs/dbraw/zinc/07/92/32/375079232.db2.gz OLCSWJFDMBOVFN-UHFFFAOYSA-N 1 2 293.258 1.789 20 5 CDBDLO Cn1c[nH+]cc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131542806 375282927 /nfs/dbraw/zinc/28/29/27/375282927.db2.gz AYPYHIFJSKBBES-UHFFFAOYSA-N 1 2 272.308 1.887 20 5 CDBDLO COCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443584 375609697 /nfs/dbraw/zinc/60/96/97/375609697.db2.gz SCDNHDDQDOZEGJ-ZDUSSCGKSA-N 1 2 290.323 1.654 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000355250774 375784699 /nfs/dbraw/zinc/78/46/99/375784699.db2.gz CNHHVSBPXZITNL-UHFFFAOYSA-N 1 2 260.253 1.258 20 5 CDBDLO Cc1c(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000163797241 375785147 /nfs/dbraw/zinc/78/51/47/375785147.db2.gz GUVFNBXZFBAZQV-CYBMUJFWSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1c(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000163797241 375785155 /nfs/dbraw/zinc/78/51/55/375785155.db2.gz GUVFNBXZFBAZQV-CYBMUJFWSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1ccc(CNc2ccc(CO)c[nH+]2)cc1[N+](=O)[O-] ZINC000356309495 375832976 /nfs/dbraw/zinc/83/29/76/375832976.db2.gz WFOXGVPOQVDGMV-UHFFFAOYSA-N 1 2 273.292 1.825 20 5 CDBDLO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262020599 190047237 /nfs/dbraw/zinc/04/72/37/190047237.db2.gz CXFNPHAAOSCTSK-GHMZBOCLSA-N 1 2 293.323 1.548 20 5 CDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc[nH+]cc1C ZINC000264559464 190118537 /nfs/dbraw/zinc/11/85/37/190118537.db2.gz UKYXPYBWPFEJDP-UHFFFAOYSA-N 1 2 275.268 1.442 20 5 CDBDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172593902 377639095 /nfs/dbraw/zinc/63/90/95/377639095.db2.gz NRTXSVFKLLQFFU-JTQLQIEISA-N 1 2 295.364 1.971 20 5 CDBDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172593902 377639103 /nfs/dbraw/zinc/63/91/03/377639103.db2.gz NRTXSVFKLLQFFU-JTQLQIEISA-N 1 2 295.364 1.971 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000302133887 285176231 /nfs/dbraw/zinc/17/62/31/285176231.db2.gz ZEUAKEDDUBABKJ-GFCCVEGCSA-N 1 2 287.279 1.438 20 5 CDBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000187008314 390167473 /nfs/dbraw/zinc/16/74/73/390167473.db2.gz DXNDZAPYOGFBSA-NSHDSACASA-N 1 2 293.323 1.136 20 5 CDBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000187008314 390167478 /nfs/dbraw/zinc/16/74/78/390167478.db2.gz DXNDZAPYOGFBSA-NSHDSACASA-N 1 2 293.323 1.136 20 5 CDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1COC1 ZINC000451290875 390609659 /nfs/dbraw/zinc/60/96/59/390609659.db2.gz YTVVXODPTXCPES-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1COC1 ZINC000451290875 390609664 /nfs/dbraw/zinc/60/96/64/390609664.db2.gz YTVVXODPTXCPES-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)[N@H+]1C ZINC000294065962 390899954 /nfs/dbraw/zinc/89/99/54/390899954.db2.gz VJBNOMWDNUITBN-DTORHVGOSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)[N@@H+]1C ZINC000294065962 390899956 /nfs/dbraw/zinc/89/99/56/390899956.db2.gz VJBNOMWDNUITBN-DTORHVGOSA-N 1 2 283.353 1.821 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@]3(O)CCOC3)c2c1 ZINC000413202270 391177704 /nfs/dbraw/zinc/17/77/04/391177704.db2.gz LYCQNTKAALGTRN-CQSZACIVSA-N 1 2 289.291 1.706 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408086142 391294059 /nfs/dbraw/zinc/29/40/59/391294059.db2.gz GNRODBUIRNAUAC-RKDXNWHRSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408086142 391294064 /nfs/dbraw/zinc/29/40/64/391294064.db2.gz GNRODBUIRNAUAC-RKDXNWHRSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335377 392061286 /nfs/dbraw/zinc/06/12/86/392061286.db2.gz FQIAFQDUOXNJOZ-BXUZGUMPSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335377 392061291 /nfs/dbraw/zinc/06/12/91/392061291.db2.gz FQIAFQDUOXNJOZ-BXUZGUMPSA-N 1 2 296.323 1.055 20 5 CDBDLO CN(CC1CC1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194175177 392143076 /nfs/dbraw/zinc/14/30/76/392143076.db2.gz GEIXPYQQIOTMFM-UHFFFAOYSA-N 1 2 291.351 1.895 20 5 CDBDLO CN(CC1CC1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194175177 392143081 /nfs/dbraw/zinc/14/30/81/392143081.db2.gz GEIXPYQQIOTMFM-UHFFFAOYSA-N 1 2 291.351 1.895 20 5 CDBDLO O=C(CCc1c[nH+]c[nH]1)NCc1cccc([N+](=O)[O-])c1 ZINC000526999232 392971844 /nfs/dbraw/zinc/97/18/44/392971844.db2.gz ORKVYNNJHKNXPX-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO O=C(CCc1c[nH]c[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000526999232 392971855 /nfs/dbraw/zinc/97/18/55/392971855.db2.gz ORKVYNNJHKNXPX-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191529228 393119816 /nfs/dbraw/zinc/11/98/16/393119816.db2.gz GOBJWUBYTHKVBV-YPMHNXCESA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191529228 393119821 /nfs/dbraw/zinc/11/98/21/393119821.db2.gz GOBJWUBYTHKVBV-YPMHNXCESA-N 1 2 280.324 1.485 20 5 CDBDLO CCC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000132366872 393215988 /nfs/dbraw/zinc/21/59/88/393215988.db2.gz SEGIIDPVMVMOHG-NSHDSACASA-N 1 2 268.317 1.292 20 5 CDBDLO CCC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000132366872 393215995 /nfs/dbraw/zinc/21/59/95/393215995.db2.gz SEGIIDPVMVMOHG-NSHDSACASA-N 1 2 268.317 1.292 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1N1CCn2c[nH+]cc2C1 ZINC000290642156 296501802 /nfs/dbraw/zinc/50/18/02/296501802.db2.gz HZLUOWMBEQUAFO-UHFFFAOYSA-N 1 2 262.244 1.951 20 5 CDBDLO CCOCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000093312987 147044338 /nfs/dbraw/zinc/04/43/38/147044338.db2.gz RHAMBIIKILFVOT-UHFFFAOYSA-N 1 2 295.339 1.810 20 5 CDBDLO CCOCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000093312987 147044342 /nfs/dbraw/zinc/04/43/42/147044342.db2.gz RHAMBIIKILFVOT-UHFFFAOYSA-N 1 2 295.339 1.810 20 5 CDBDLO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000101675969 147137197 /nfs/dbraw/zinc/13/71/97/147137197.db2.gz ZFHFORQQIOTTKS-UHFFFAOYSA-N 1 2 293.323 1.372 20 5 CDBDLO COc1ccc(CNc2cc(C)[nH+]cn2)cc1[N+](=O)[O-] ZINC000346608956 153243671 /nfs/dbraw/zinc/24/36/71/153243671.db2.gz NVFNWPHREQVAEB-UHFFFAOYSA-N 1 2 274.280 1.736 20 5 CDBDLO C[NH2+]Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000349911817 154268253 /nfs/dbraw/zinc/26/82/53/154268253.db2.gz OSBSPEXRJNRMTD-UHFFFAOYSA-N 1 2 264.241 1.276 20 5 CDBDLO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000284995006 196173217 /nfs/dbraw/zinc/17/32/17/196173217.db2.gz GOTXEUGOAWQHJF-IUCAKERBSA-N 1 2 290.327 1.717 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1NCCCCn1cc[nH+]c1 ZINC000045108265 175308891 /nfs/dbraw/zinc/30/88/91/175308891.db2.gz PBJIITZRENHRIJ-UHFFFAOYSA-N 1 2 264.289 1.417 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000250073146 270305179 /nfs/dbraw/zinc/30/51/79/270305179.db2.gz ODYPNXXOTKYHPQ-YGRLFVJLSA-N 1 2 291.351 1.989 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000250073146 270305180 /nfs/dbraw/zinc/30/51/80/270305180.db2.gz ODYPNXXOTKYHPQ-YGRLFVJLSA-N 1 2 291.351 1.989 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1CCOC1)CCO2 ZINC000352620332 280370623 /nfs/dbraw/zinc/37/06/23/280370623.db2.gz BUBBIVSYLZWNHZ-GFCCVEGCSA-N 1 2 264.281 1.578 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1)CCO2 ZINC000352620332 280370624 /nfs/dbraw/zinc/37/06/24/280370624.db2.gz BUBBIVSYLZWNHZ-GFCCVEGCSA-N 1 2 264.281 1.578 20 5 CDBDLO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000574217123 294967302 /nfs/dbraw/zinc/96/73/02/294967302.db2.gz YHNNWPHWKASXJL-SCZZXKLOSA-N 1 2 279.296 1.252 20 5 CDBDLO CNc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC000380024271 323608898 /nfs/dbraw/zinc/60/88/98/323608898.db2.gz SJHQVWMWAZVOGD-UHFFFAOYSA-N 1 2 289.295 1.598 20 5 CDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000580151001 324378779 /nfs/dbraw/zinc/37/87/79/324378779.db2.gz LHVPAYZRKSJADT-UHFFFAOYSA-N 1 2 296.308 1.302 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338632465 521281383 /nfs/dbraw/zinc/28/13/83/521281383.db2.gz TYQPNAHICGLXLS-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338632465 521281390 /nfs/dbraw/zinc/28/13/90/521281390.db2.gz TYQPNAHICGLXLS-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339217531 524932936 /nfs/dbraw/zinc/93/29/36/524932936.db2.gz YTBQBBXIEGAVSB-JOYOIKCWSA-N 1 2 266.297 1.646 20 5 CDBDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339217531 524932939 /nfs/dbraw/zinc/93/29/39/524932939.db2.gz YTBQBBXIEGAVSB-JOYOIKCWSA-N 1 2 266.297 1.646 20 5 CDBDLO CC[C@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000293018121 529370904 /nfs/dbraw/zinc/37/09/04/529370904.db2.gz CFFWXERTKMOKSO-JSGCOSHPSA-N 1 2 296.323 1.560 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000729185563 574726446 /nfs/dbraw/zinc/72/64/46/574726446.db2.gz SFQXIAJTUSAJJY-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000729185563 574726448 /nfs/dbraw/zinc/72/64/48/574726448.db2.gz SFQXIAJTUSAJJY-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1[nH]cc[nH+]1 ZINC000733956090 575148223 /nfs/dbraw/zinc/14/82/23/575148223.db2.gz XRPQCHROQOQDAN-UHFFFAOYSA-N 1 2 294.242 1.152 20 5 CDBDLO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000772989205 575772916 /nfs/dbraw/zinc/77/29/16/575772916.db2.gz KVEBOEHEMDDTGU-LBPRGKRZSA-N 1 2 295.339 1.616 20 5 CDBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000759421324 576387679 /nfs/dbraw/zinc/38/76/79/576387679.db2.gz CGHPSPWDLGNZGQ-NSHDSACASA-N 1 2 283.715 1.569 20 5 CDBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000759421324 576387684 /nfs/dbraw/zinc/38/76/84/576387684.db2.gz CGHPSPWDLGNZGQ-NSHDSACASA-N 1 2 283.715 1.569 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000747782745 576883991 /nfs/dbraw/zinc/88/39/91/576883991.db2.gz PKMRYICUKLSXJC-UHFFFAOYSA-N 1 2 275.264 1.994 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154313232 632175357 /nfs/dbraw/zinc/17/53/57/632175357.db2.gz DCTFTTRRJCAJFY-JSGCOSHPSA-N 1 2 280.324 1.739 20 5 CDBDLO CC[C@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154313232 632175361 /nfs/dbraw/zinc/17/53/61/632175361.db2.gz DCTFTTRRJCAJFY-JSGCOSHPSA-N 1 2 280.324 1.739 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933896880 677938491 /nfs/dbraw/zinc/93/84/91/677938491.db2.gz XUXFADMXRVSCPD-NSHDSACASA-N 1 2 279.296 1.327 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933896880 677938495 /nfs/dbraw/zinc/93/84/95/677938495.db2.gz XUXFADMXRVSCPD-NSHDSACASA-N 1 2 279.296 1.327 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCn2cccc2C1 ZINC000932529162 678203379 /nfs/dbraw/zinc/20/33/79/678203379.db2.gz ZFHWWAPPIMYWAK-UHFFFAOYSA-N 1 2 288.307 1.074 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCn2cccc2C1 ZINC000932529162 678203384 /nfs/dbraw/zinc/20/33/84/678203384.db2.gz ZFHWWAPPIMYWAK-UHFFFAOYSA-N 1 2 288.307 1.074 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573091 677967742 /nfs/dbraw/zinc/96/77/42/677967742.db2.gz RXLXWTBYDKBION-LJWDBELGSA-N 1 2 278.308 1.503 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573091 677967745 /nfs/dbraw/zinc/96/77/45/677967745.db2.gz RXLXWTBYDKBION-LJWDBELGSA-N 1 2 278.308 1.503 20 5 CDBDLO C[C@H]1C[N@H+](CCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000837925261 678389869 /nfs/dbraw/zinc/38/98/69/678389869.db2.gz MUDSPNWKZSYJRF-NSHDSACASA-N 1 2 288.344 1.086 20 5 CDBDLO C[C@H]1C[N@@H+](CCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000837925261 678389874 /nfs/dbraw/zinc/38/98/74/678389874.db2.gz MUDSPNWKZSYJRF-NSHDSACASA-N 1 2 288.344 1.086 20 5 CDBDLO CCOC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000113922727 678734260 /nfs/dbraw/zinc/73/42/60/678734260.db2.gz RHXKDVUAYNGNMA-LLVKDONJSA-N 1 2 268.317 1.497 20 5 CDBDLO CCOC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000113922727 678734264 /nfs/dbraw/zinc/73/42/64/678734264.db2.gz RHXKDVUAYNGNMA-LLVKDONJSA-N 1 2 268.317 1.497 20 5 CDBDLO Cc1noc(C[N@H+]2CCOCC[C@H]2C)c1[N+](=O)[O-] ZINC000851908176 678930396 /nfs/dbraw/zinc/93/03/96/678930396.db2.gz ZOVDISUDNPLRFX-MRVPVSSYSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@@H+]2CCOCC[C@H]2C)c1[N+](=O)[O-] ZINC000851908176 678930399 /nfs/dbraw/zinc/93/03/99/678930399.db2.gz ZOVDISUDNPLRFX-MRVPVSSYSA-N 1 2 255.274 1.502 20 5 CDBDLO C[N@@H+]1CC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928554289 679000525 /nfs/dbraw/zinc/00/05/25/679000525.db2.gz IFYSELKMJSDPRQ-NSHDSACASA-N 1 2 299.277 1.507 20 5 CDBDLO C[N@H+]1CC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928554289 679000527 /nfs/dbraw/zinc/00/05/27/679000527.db2.gz IFYSELKMJSDPRQ-NSHDSACASA-N 1 2 299.277 1.507 20 5 CDBDLO CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455823 1162094835 /nfs/dbraw/zinc/09/48/35/1162094835.db2.gz DEPNYOIEGAEGFX-UHFFFAOYSA-N 1 2 264.329 1.747 20 5 CDBDLO Cc1cnc(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001227236761 906136752 /nfs/dbraw/zinc/13/67/52/906136752.db2.gz JQSKYHQGDQUXTA-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cnc(OC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001227236761 906136748 /nfs/dbraw/zinc/13/67/48/906136748.db2.gz JQSKYHQGDQUXTA-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](C(F)(F)F)C2)C1 ZINC001169035909 927644767 /nfs/dbraw/zinc/64/47/67/927644767.db2.gz DVQSUHWJWWWJTC-BBBLOLIVSA-N 1 2 282.262 1.695 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C(F)(F)F)C2)C1 ZINC001169035909 927644772 /nfs/dbraw/zinc/64/47/72/927644772.db2.gz DVQSUHWJWWWJTC-BBBLOLIVSA-N 1 2 282.262 1.695 20 5 CDBDLO C[NH+]1CC(NC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153871374 937479171 /nfs/dbraw/zinc/47/91/71/937479171.db2.gz RMKAZHUFZTUWEY-UHFFFAOYSA-N 1 2 292.342 1.827 20 5 CDBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2c[nH+]cn2C)n1 ZINC001154131054 937506534 /nfs/dbraw/zinc/50/65/34/937506534.db2.gz ITVHIQIBNHYXLD-UHFFFAOYSA-N 1 2 289.295 1.004 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC001124080953 936281308 /nfs/dbraw/zinc/28/13/08/936281308.db2.gz YGKHXYULLITKOT-UHFFFAOYSA-N 1 2 280.309 1.362 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1[N+](=O)[O-] ZINC001227480922 942180373 /nfs/dbraw/zinc/18/03/73/942180373.db2.gz PURJKWYCTQWCQI-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CO)C1 ZINC001254553164 947522379 /nfs/dbraw/zinc/52/23/79/947522379.db2.gz UAOZAKVGMBCVIT-AAEUAGOBSA-N 1 2 280.324 1.219 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CO)C1 ZINC001254553164 947522388 /nfs/dbraw/zinc/52/23/88/947522388.db2.gz UAOZAKVGMBCVIT-AAEUAGOBSA-N 1 2 280.324 1.219 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001254553801 947525421 /nfs/dbraw/zinc/52/54/21/947525421.db2.gz ZNXCCRDDBDUNNF-MPKXVKKWSA-N 1 2 282.315 1.931 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001254553801 947525429 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O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131008 342091404 /nfs/dbraw/zinc/09/14/04/342091404.db2.gz GASBKVHKVSKHEU-JTQLQIEISA-N 1 2 289.295 1.597 20 5 CDBDLO Cc1noc(C[N@H+](CCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595307220 343031689 /nfs/dbraw/zinc/03/16/89/343031689.db2.gz JKYBZVFRKCJBMS-UHFFFAOYSA-N 1 2 291.307 1.886 20 5 CDBDLO Cc1noc(C[N@@H+](CCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595307220 343031691 /nfs/dbraw/zinc/03/16/91/343031691.db2.gz JKYBZVFRKCJBMS-UHFFFAOYSA-N 1 2 291.307 1.886 20 5 CDBDLO COC(=O)c1cnc(N(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC000596307491 343293738 /nfs/dbraw/zinc/29/37/38/343293738.db2.gz YGIKZHNWHYSIJA-UHFFFAOYSA-N 1 2 291.267 1.136 20 5 CDBDLO COC(=O)c1cnc(N(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000596307491 343293740 /nfs/dbraw/zinc/29/37/40/343293740.db2.gz YGIKZHNWHYSIJA-UHFFFAOYSA-N 1 2 291.267 1.136 20 5 CDBDLO C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1[nH+]ccn1C ZINC000596543233 343346669 /nfs/dbraw/zinc/34/66/69/343346669.db2.gz OPASTXLYQHVICY-ZETCQYMHSA-N 1 2 250.262 1.235 20 5 CDBDLO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000090884204 342397668 /nfs/dbraw/zinc/39/76/68/342397668.db2.gz JMDQMXRPIPFKSU-GXFFZTMASA-N 1 2 290.323 1.713 20 5 CDBDLO Cc1nn(C)c(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000051910258 362208328 /nfs/dbraw/zinc/20/83/28/362208328.db2.gz YOXOKXGIEMMPHG-UHFFFAOYSA-N 1 2 290.327 1.710 20 5 CDBDLO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598458996 343804543 /nfs/dbraw/zinc/80/45/43/343804543.db2.gz BPRWISCVIRSXFO-SSDOTTSWSA-N 1 2 280.309 1.881 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000611271755 346731577 /nfs/dbraw/zinc/73/15/77/346731577.db2.gz VMFKKDUJKFRXGX-UHFFFAOYSA-N 1 2 291.351 1.971 20 5 CDBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000027116797 348661721 /nfs/dbraw/zinc/66/17/21/348661721.db2.gz GJBRPGZFRVJQGX-GFCCVEGCSA-N 1 2 293.323 1.305 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 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CDBDLO C[NH+](C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000457281316 366109157 /nfs/dbraw/zinc/10/91/57/366109157.db2.gz AKWLJVFIQCHOSI-UHFFFAOYSA-N 1 2 295.324 1.693 20 5 CDBDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273009003 192016716 /nfs/dbraw/zinc/01/67/16/192016716.db2.gz ISZVWDDFPNIUDJ-LLVKDONJSA-N 1 2 298.364 1.710 20 5 CDBDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273009003 192016718 /nfs/dbraw/zinc/01/67/18/192016718.db2.gz ISZVWDDFPNIUDJ-LLVKDONJSA-N 1 2 298.364 1.710 20 5 CDBDLO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+](C3CC3)CCO2)cs1 ZINC000358528537 356303570 /nfs/dbraw/zinc/30/35/70/356303570.db2.gz PCRIOSPBZXPSQE-LBPRGKRZSA-N 1 2 297.380 1.609 20 5 CDBDLO O=[N+]([O-])c1cc(CNC[C@H]2C[N@H+](C3CC3)CCO2)cs1 ZINC000358528537 356303572 /nfs/dbraw/zinc/30/35/72/356303572.db2.gz PCRIOSPBZXPSQE-LBPRGKRZSA-N 1 2 297.380 1.609 20 5 CDBDLO COc1cc[nH+]c(Cn2nc(C)c([N+](=O)[O-])c2C)c1OC ZINC000190933186 358102142 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374688134 /nfs/dbraw/zinc/68/81/34/374688134.db2.gz OFQVRULQJDKBEO-QWRGUYRKSA-N 1 2 296.327 1.065 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000274992513 374688137 /nfs/dbraw/zinc/68/81/37/374688137.db2.gz OFQVRULQJDKBEO-QWRGUYRKSA-N 1 2 296.327 1.065 20 5 CDBDLO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000331080309 374884145 /nfs/dbraw/zinc/88/41/45/374884145.db2.gz YTJUIXBFQHHQKK-VIFPVBQESA-N 1 2 270.358 1.656 20 5 CDBDLO CC[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000331080309 374884150 /nfs/dbraw/zinc/88/41/50/374884150.db2.gz YTJUIXBFQHHQKK-VIFPVBQESA-N 1 2 270.358 1.656 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331392143 374946596 /nfs/dbraw/zinc/94/65/96/374946596.db2.gz KFEOQMVUCOSHMI-MRVPVSSYSA-N 1 2 290.283 1.029 20 5 CDBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)on1 ZINC000331444652 374955241 /nfs/dbraw/zinc/95/52/41/374955241.db2.gz WKZQVLSFGMTVDS-SNVBAGLBSA-N 1 2 291.311 1.962 20 5 CDBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)on1 ZINC000331444652 374955247 /nfs/dbraw/zinc/95/52/47/374955247.db2.gz WKZQVLSFGMTVDS-SNVBAGLBSA-N 1 2 291.311 1.962 20 5 CDBDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000282329201 375079610 /nfs/dbraw/zinc/07/96/10/375079610.db2.gz UQRRQXGUASWBBI-LBPRGKRZSA-N 1 2 284.337 1.214 20 5 CDBDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000282329201 375079615 /nfs/dbraw/zinc/07/96/15/375079615.db2.gz UQRRQXGUASWBBI-LBPRGKRZSA-N 1 2 284.337 1.214 20 5 CDBDLO Cc1ccnc(NCc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000302786583 375250623 /nfs/dbraw/zinc/25/06/23/375250623.db2.gz WIJWSNBNRQTECC-UHFFFAOYSA-N 1 2 259.269 1.888 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351762528 375328427 /nfs/dbraw/zinc/32/84/27/375328427.db2.gz ZOLVQSHODPTGCP-JMCQJSRRSA-N 1 2 272.251 1.686 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351762528 375328432 /nfs/dbraw/zinc/32/84/32/375328432.db2.gz ZOLVQSHODPTGCP-JMCQJSRRSA-N 1 2 272.251 1.686 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000048963232 375382235 /nfs/dbraw/zinc/38/22/35/375382235.db2.gz VRUAFSYIZYBIHV-SNVBAGLBSA-N 1 2 274.280 1.610 20 5 CDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000026711517 375562292 /nfs/dbraw/zinc/56/22/92/375562292.db2.gz GINZIJYSLBPOMX-NSHDSACASA-N 1 2 263.253 1.231 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccn2cc[nH+]c2c1 ZINC000354383391 375702255 /nfs/dbraw/zinc/70/22/55/375702255.db2.gz JDMMHWNSIAJLNA-UHFFFAOYSA-N 1 2 272.268 1.588 20 5 CDBDLO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000261994455 190046135 /nfs/dbraw/zinc/04/61/35/190046135.db2.gz NEUSUKDDSFBRDW-UHFFFAOYSA-N 1 2 279.296 1.111 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436266476 249389297 /nfs/dbraw/zinc/38/92/97/249389297.db2.gz AAWXDIXEASZDHF-UHFFFAOYSA-N 1 2 287.323 1.933 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000245532361 378419155 /nfs/dbraw/zinc/41/91/55/378419155.db2.gz UIIFYGWZJTWYJG-GXFFZTMASA-N 1 2 293.323 1.150 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000245532361 378419159 /nfs/dbraw/zinc/41/91/59/378419159.db2.gz UIIFYGWZJTWYJG-GXFFZTMASA-N 1 2 293.323 1.150 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000357655823 378711218 /nfs/dbraw/zinc/71/12/18/378711218.db2.gz WXNOCPFAVZIIII-UHFFFAOYSA-N 1 2 289.295 1.328 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000278966438 194232290 /nfs/dbraw/zinc/23/22/90/194232290.db2.gz YUCVRQFVBIHUHC-GFCCVEGCSA-N 1 2 279.340 1.752 20 5 CDBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000267693510 190347918 /nfs/dbraw/zinc/34/79/18/190347918.db2.gz SOGYWCDYVSUVAN-CYBMUJFWSA-N 1 2 282.271 1.682 20 5 CDBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000267693510 190347919 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1.975 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089153898 285160185 /nfs/dbraw/zinc/16/01/85/285160185.db2.gz HOKCFOOWFCQPIB-LSDHHAIUSA-N 1 2 292.335 1.975 20 5 CDBDLO CC[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285940422 390187483 /nfs/dbraw/zinc/18/74/83/390187483.db2.gz JKWJMIDAGJUFHB-UHFFFAOYSA-N 1 2 260.240 1.687 20 5 CDBDLO CC[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285940422 390187487 /nfs/dbraw/zinc/18/74/87/390187487.db2.gz JKWJMIDAGJUFHB-UHFFFAOYSA-N 1 2 260.240 1.687 20 5 CDBDLO Nc1nc(NCCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000263942919 390644546 /nfs/dbraw/zinc/64/45/46/390644546.db2.gz GAQVLGWQJGPFLR-UHFFFAOYSA-N 1 2 289.299 1.276 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335488 392063221 /nfs/dbraw/zinc/06/32/21/392063221.db2.gz FQIAFQDUOXNJOZ-SMDDNHRTSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335488 392063231 /nfs/dbraw/zinc/06/32/31/392063231.db2.gz FQIAFQDUOXNJOZ-SMDDNHRTSA-N 1 2 296.323 1.055 20 5 CDBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC1 ZINC000269096628 132110864 /nfs/dbraw/zinc/11/08/64/132110864.db2.gz OOMXKHAIMCLZBJ-UHFFFAOYSA-N 1 2 289.335 1.792 20 5 CDBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC1 ZINC000269096628 132110867 /nfs/dbraw/zinc/11/08/67/132110867.db2.gz OOMXKHAIMCLZBJ-UHFFFAOYSA-N 1 2 289.335 1.792 20 5 CDBDLO O=[N+]([O-])c1ccccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000171911987 296514976 /nfs/dbraw/zinc/51/49/76/296514976.db2.gz OVFFAHSEJUWHPV-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1C(F)F ZINC000355896812 157278076 /nfs/dbraw/zinc/27/80/76/157278076.db2.gz QIDQHNQMZCZKCL-UHFFFAOYSA-N 1 2 257.200 1.740 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285239727 196229453 /nfs/dbraw/zinc/22/94/53/196229453.db2.gz PNYLRDJTRWZMQZ-BDAKNGLRSA-N 1 2 290.327 1.717 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248934953 280395775 /nfs/dbraw/zinc/39/57/75/280395775.db2.gz BVRQGOMLUHXPRQ-FZMZJTMJSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248934953 280395776 /nfs/dbraw/zinc/39/57/76/280395776.db2.gz BVRQGOMLUHXPRQ-FZMZJTMJSA-N 1 2 296.323 1.055 20 5 CDBDLO Cc1cc(N2CCn3c[nH+]cc3C2)ncc1[N+](=O)[O-] ZINC000290557879 280582481 /nfs/dbraw/zinc/58/24/81/280582481.db2.gz ABVAUHRKSIDXEP-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000354805943 290274332 /nfs/dbraw/zinc/27/43/32/290274332.db2.gz BJFQBWLNGZCNCD-SNVBAGLBSA-N 1 2 275.312 1.916 20 5 CDBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000354805943 290274336 /nfs/dbraw/zinc/27/43/36/290274336.db2.gz BJFQBWLNGZCNCD-SNVBAGLBSA-N 1 2 275.312 1.916 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC(n2cc[nH+]c2)C1 ZINC000574550223 295017272 /nfs/dbraw/zinc/01/72/72/295017272.db2.gz OKMZJRDQCBMRMM-UHFFFAOYSA-N 1 2 276.300 1.377 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnccn1)CC2 ZINC000579088697 324099855 /nfs/dbraw/zinc/09/98/55/324099855.db2.gz KHKBCSZJNDXZAV-UHFFFAOYSA-N 1 2 270.292 1.943 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnccn1)CC2 ZINC000579088697 324099857 /nfs/dbraw/zinc/09/98/57/324099857.db2.gz KHKBCSZJNDXZAV-UHFFFAOYSA-N 1 2 270.292 1.943 20 5 CDBDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236618057 526921235 /nfs/dbraw/zinc/92/12/35/526921235.db2.gz MFBZSACQRIBOOS-SECBINFHSA-N 1 2 291.307 1.267 20 5 CDBDLO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236618057 526921242 /nfs/dbraw/zinc/92/12/42/526921242.db2.gz MFBZSACQRIBOOS-SECBINFHSA-N 1 2 291.307 1.267 20 5 CDBDLO CC(C)(C)Oc1cccc(C[NH2+]CC[N+](=O)[O-])n1 ZINC000905189334 626667839 /nfs/dbraw/zinc/66/78/39/626667839.db2.gz IAWYROYMSFJSIJ-UHFFFAOYSA-N 1 2 253.302 1.625 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133992545 679754854 /nfs/dbraw/zinc/75/48/54/679754854.db2.gz FTKKBAWTRMFLHI-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133992545 679754856 /nfs/dbraw/zinc/75/48/56/679754856.db2.gz FTKKBAWTRMFLHI-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO O=[N+]([O-])CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000791054850 681595097 /nfs/dbraw/zinc/59/50/97/681595097.db2.gz ZTKXSIJKUMIAIM-UHFFFAOYSA-N 1 2 283.759 1.734 20 5 CDBDLO COC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000852770032 682057216 /nfs/dbraw/zinc/05/72/16/682057216.db2.gz BHOGJDWATKQDPC-UHFFFAOYSA-N 1 2 299.352 1.977 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnnn1C ZINC000850468529 683303287 /nfs/dbraw/zinc/30/32/87/683303287.db2.gz IXIRIZBBAJNGMG-SECBINFHSA-N 1 2 291.311 1.583 20 5 CDBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852495629 684240771 /nfs/dbraw/zinc/24/07/71/684240771.db2.gz LWEJTNQGUHNHSA-GFCCVEGCSA-N 1 2 284.287 1.581 20 5 CDBDLO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852495629 684240780 /nfs/dbraw/zinc/24/07/80/684240780.db2.gz LWEJTNQGUHNHSA-GFCCVEGCSA-N 1 2 284.287 1.581 20 5 CDBDLO CN(c1ccc(N)c([N+](=O)[O-])c1)c1[nH+]cccc1N ZINC001209932665 894925123 /nfs/dbraw/zinc/92/51/23/894925123.db2.gz RJIFCTAELNMYLX-UHFFFAOYSA-N 1 2 259.269 1.922 20 5 CDBDLO CCOC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168969816 927592349 /nfs/dbraw/zinc/59/23/49/927592349.db2.gz FQURNDSIITYCIL-VHSXEESVSA-N 1 2 256.302 1.117 20 5 CDBDLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC001159513804 938738381 /nfs/dbraw/zinc/73/83/81/938738381.db2.gz WQBOSESOWURBSK-UHFFFAOYSA-N 1 2 260.253 1.808 20 5 CDBDLO [NH3+]Cc1nccnc1Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001160246113 938777137 /nfs/dbraw/zinc/77/71/37/938777137.db2.gz LWZOBTAYVPDQLO-UHFFFAOYSA-N 1 2 280.675 1.636 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1COC1C[NH+](C)C1 ZINC001223943561 941708106 /nfs/dbraw/zinc/70/81/06/941708106.db2.gz PCWFMXJYJXIUMF-UHFFFAOYSA-N 1 2 252.270 1.434 20 5 CDBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225619552 941889109 /nfs/dbraw/zinc/88/91/09/941889109.db2.gz CJYMELCISVQXQX-LBPRGKRZSA-N 1 2 264.281 1.773 20 5 CDBDLO C[C@](O)(C1CC[NH+](CC[N+](=O)[O-])CC1)C(F)(F)F ZINC001332904410 957929318 /nfs/dbraw/zinc/92/93/18/957929318.db2.gz DFWIEWILAQNTRZ-VIFPVBQESA-N 1 2 270.251 1.288 20 5 CDBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N)nc[nH+]1 ZINC001318518639 958151477 /nfs/dbraw/zinc/15/14/77/958151477.db2.gz FWVJISZPQCDGBT-UHFFFAOYSA-N 1 2 259.269 1.603 20 5 CDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccsc1[N+](=O)[O-] ZINC000588070193 342492082 /nfs/dbraw/zinc/49/20/82/342492082.db2.gz OAVCXDFAGKXXHH-MNOVXSKESA-N 1 2 297.380 1.956 20 5 CDBDLO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590402312 342543877 /nfs/dbraw/zinc/54/38/77/342543877.db2.gz CQJQVRRBKCMQOQ-CABZTGNLSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000235432927 342050187 /nfs/dbraw/zinc/05/01/87/342050187.db2.gz IGWKJZDUSJMHNX-VIFPVBQESA-N 1 2 274.280 1.738 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131395 342091355 /nfs/dbraw/zinc/09/13/55/342091355.db2.gz OACIXTLUZINOOO-SNVBAGLBSA-N 1 2 290.279 1.862 20 5 CDBDLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000047931939 342146709 /nfs/dbraw/zinc/14/67/09/342146709.db2.gz KXAUZQFAEQWHGE-NSHDSACASA-N 1 2 288.307 1.918 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000048615551 342258913 /nfs/dbraw/zinc/25/89/13/342258913.db2.gz UPXGNSISWGKNKI-GFCCVEGCSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000048615551 342258914 /nfs/dbraw/zinc/25/89/14/342258914.db2.gz UPXGNSISWGKNKI-GFCCVEGCSA-N 1 2 293.323 1.298 20 5 CDBDLO COCC1=CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595439722 343061381 /nfs/dbraw/zinc/06/13/81/343061381.db2.gz AFUMTGYNEVARIL-UHFFFAOYSA-N 1 2 267.285 1.670 20 5 CDBDLO COCC1=CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595439722 343061382 /nfs/dbraw/zinc/06/13/82/343061382.db2.gz AFUMTGYNEVARIL-UHFFFAOYSA-N 1 2 267.285 1.670 20 5 CDBDLO Cn1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000595758196 343143254 /nfs/dbraw/zinc/14/32/54/343143254.db2.gz KWUGCTCLAFCNJK-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO Cn1cc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000595758196 343143256 /nfs/dbraw/zinc/14/32/56/343143256.db2.gz KWUGCTCLAFCNJK-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000598950630 343933998 /nfs/dbraw/zinc/93/39/98/343933998.db2.gz UCJUXOIXODUEKV-LLVKDONJSA-N 1 2 286.291 1.536 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000156479151 188264315 /nfs/dbraw/zinc/26/43/15/188264315.db2.gz PRROKPTUIIRYAT-ZDUSSCGKSA-N 1 2 293.323 1.184 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000156479151 188264316 /nfs/dbraw/zinc/26/43/16/188264316.db2.gz PRROKPTUIIRYAT-ZDUSSCGKSA-N 1 2 293.323 1.184 20 5 CDBDLO C[C@@H](O)C[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336812125 356273778 /nfs/dbraw/zinc/27/37/78/356273778.db2.gz QFDALVBLYOPRGY-SECBINFHSA-N 1 2 288.731 1.423 20 5 CDBDLO C[C@@H](O)C[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336812125 356273781 /nfs/dbraw/zinc/27/37/81/356273781.db2.gz QFDALVBLYOPRGY-SECBINFHSA-N 1 2 288.731 1.423 20 5 CDBDLO O=C(NCCCn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000042566071 357072961 /nfs/dbraw/zinc/07/29/61/357072961.db2.gz KCQOBQQWMRWDQG-UHFFFAOYSA-N 1 2 280.309 1.673 20 5 CDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC000135074147 357465296 /nfs/dbraw/zinc/46/52/96/357465296.db2.gz YESYJNAMKLJSSI-AATRIKPKSA-N 1 2 286.291 1.690 20 5 CDBDLO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186275681 357633341 /nfs/dbraw/zinc/63/33/41/357633341.db2.gz NMWIENRDJHCAFW-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186275681 357633343 /nfs/dbraw/zinc/63/33/43/357633343.db2.gz NMWIENRDJHCAFW-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])cn1)CCC2 ZINC000361189221 357822826 /nfs/dbraw/zinc/82/28/26/357822826.db2.gz QLQNWNYGNPAJHC-NSHDSACASA-N 1 2 287.323 1.906 20 5 CDBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104063472 358943801 /nfs/dbraw/zinc/94/38/01/358943801.db2.gz XNWPAKZJSFKYEZ-ZDUSSCGKSA-N 1 2 277.324 1.551 20 5 CDBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104063472 358943805 /nfs/dbraw/zinc/94/38/05/358943805.db2.gz XNWPAKZJSFKYEZ-ZDUSSCGKSA-N 1 2 277.324 1.551 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncn(C)n1 ZINC000539059906 358953193 /nfs/dbraw/zinc/95/31/93/358953193.db2.gz KPZDIUIBDCWLOM-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088753329 366556994 /nfs/dbraw/zinc/55/69/94/366556994.db2.gz UWYDBRGDGBJJSW-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088753329 366557001 /nfs/dbraw/zinc/55/70/01/366557001.db2.gz UWYDBRGDGBJJSW-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1[nH]cc[nH+]1 ZINC000347996350 360025734 /nfs/dbraw/zinc/02/57/34/360025734.db2.gz XNWRNMYGJRAROE-SECBINFHSA-N 1 2 292.299 1.090 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000245532364 360704951 /nfs/dbraw/zinc/70/49/51/360704951.db2.gz UIIFYGWZJTWYJG-ZWNOBZJWSA-N 1 2 293.323 1.150 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000245532364 360704953 /nfs/dbraw/zinc/70/49/53/360704953.db2.gz UIIFYGWZJTWYJG-ZWNOBZJWSA-N 1 2 293.323 1.150 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCn1cc[nH+]c1 ZINC000345512189 361092908 /nfs/dbraw/zinc/09/29/08/361092908.db2.gz XUAFMLHABUAUJB-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCCC2)cc1 ZINC000182167692 189316073 /nfs/dbraw/zinc/31/60/73/189316073.db2.gz CDVMIVBBECBQGV-UHFFFAOYSA-N 1 2 284.337 1.464 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000249510537 364787578 /nfs/dbraw/zinc/78/75/78/364787578.db2.gz ZTZYHUDFPQLRJR-RISCZKNCSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000249510537 364787580 /nfs/dbraw/zinc/78/75/80/364787580.db2.gz ZTZYHUDFPQLRJR-RISCZKNCSA-N 1 2 296.323 1.055 20 5 CDBDLO C[NH2+]Cc1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000414647181 241298644 /nfs/dbraw/zinc/29/86/44/241298644.db2.gz TYKOHFPHUQGORC-UHFFFAOYSA-N 1 2 278.268 1.585 20 5 CDBDLO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272470187 367739252 /nfs/dbraw/zinc/73/92/52/367739252.db2.gz ZCUDBOQGTPDTIC-VIFPVBQESA-N 1 2 281.312 1.370 20 5 CDBDLO CCn1ncnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331913581 204287730 /nfs/dbraw/zinc/28/77/30/204287730.db2.gz BKNFSPFWZNRITH-UHFFFAOYSA-N 1 2 288.311 1.160 20 5 CDBDLO CCn1ncnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331913581 204287733 /nfs/dbraw/zinc/28/77/33/204287733.db2.gz BKNFSPFWZNRITH-UHFFFAOYSA-N 1 2 288.311 1.160 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCn1ccnc1 ZINC000341162194 373369912 /nfs/dbraw/zinc/36/99/12/373369912.db2.gz NDUPVSIQUWCDKP-UHFFFAOYSA-N 1 2 278.316 1.047 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCn1ccnc1 ZINC000341162194 373369918 /nfs/dbraw/zinc/36/99/18/373369918.db2.gz NDUPVSIQUWCDKP-UHFFFAOYSA-N 1 2 278.316 1.047 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812405 375023562 /nfs/dbraw/zinc/02/35/62/375023562.db2.gz TZPAATWVHGLDTG-SKDRFNHKSA-N 1 2 282.296 1.122 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812405 375023566 /nfs/dbraw/zinc/02/35/66/375023566.db2.gz TZPAATWVHGLDTG-SKDRFNHKSA-N 1 2 282.296 1.122 20 5 CDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCn1cc[nH+]c1 ZINC000354451326 375713835 /nfs/dbraw/zinc/71/38/35/375713835.db2.gz ULTNHAPQRILHDJ-UHFFFAOYSA-N 1 2 289.295 1.194 20 5 CDBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cn2c1 ZINC000345053441 375735408 /nfs/dbraw/zinc/73/54/08/375735408.db2.gz BMRSRFPLOKWPSK-UHFFFAOYSA-N 1 2 299.290 1.809 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357323916 375899677 /nfs/dbraw/zinc/89/96/77/375899677.db2.gz HXTBDBKDFYGWLR-SECBINFHSA-N 1 2 289.295 1.391 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172300140 377431494 /nfs/dbraw/zinc/43/14/94/377431494.db2.gz GRAUHGVJMIFVCY-NSHDSACASA-N 1 2 298.314 1.707 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172300140 377431503 /nfs/dbraw/zinc/43/15/03/377431503.db2.gz GRAUHGVJMIFVCY-NSHDSACASA-N 1 2 298.314 1.707 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492915753 253324785 /nfs/dbraw/zinc/32/47/85/253324785.db2.gz XOLGVPYVUGHALF-QPJJXVBHSA-N 1 2 286.291 1.658 20 5 CDBDLO O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000049751238 390806635 /nfs/dbraw/zinc/80/66/35/390806635.db2.gz SWUHRBOVVKEYGP-LLVKDONJSA-N 1 2 293.323 1.380 20 5 CDBDLO O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000049751238 390806637 /nfs/dbraw/zinc/80/66/37/390806637.db2.gz SWUHRBOVVKEYGP-LLVKDONJSA-N 1 2 293.323 1.380 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286930812 397994175 /nfs/dbraw/zinc/99/41/75/397994175.db2.gz NJMPAYUENODSJO-ZDUSSCGKSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286930812 397994180 /nfs/dbraw/zinc/99/41/80/397994180.db2.gz NJMPAYUENODSJO-ZDUSSCGKSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCOCC2)cc1F ZINC000094774781 147094935 /nfs/dbraw/zinc/09/49/35/147094935.db2.gz LMFINTSJMQIGCS-UHFFFAOYSA-N 1 2 254.261 1.956 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCOCC2)cc1F ZINC000094774781 147094938 /nfs/dbraw/zinc/09/49/38/147094938.db2.gz LMFINTSJMQIGCS-UHFFFAOYSA-N 1 2 254.261 1.956 20 5 CDBDLO COC(=O)C(C)(C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346019453 153026664 /nfs/dbraw/zinc/02/66/64/153026664.db2.gz SKHNRAIEZMSNKZ-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO COC(=O)C(C)(C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346019453 153026666 /nfs/dbraw/zinc/02/66/66/153026666.db2.gz SKHNRAIEZMSNKZ-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCn1cncn1)CCO2 ZINC000352709946 155384851 /nfs/dbraw/zinc/38/48/51/155384851.db2.gz PGJPWRKBPCWZIC-UHFFFAOYSA-N 1 2 289.295 1.081 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCn1cncn1)CCO2 ZINC000352709946 155384854 /nfs/dbraw/zinc/38/48/54/155384854.db2.gz PGJPWRKBPCWZIC-UHFFFAOYSA-N 1 2 289.295 1.081 20 5 CDBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C)n2)CCO1 ZINC000362665068 159207354 /nfs/dbraw/zinc/20/73/54/159207354.db2.gz NPHHRDJCEGEMJX-LBPRGKRZSA-N 1 2 294.355 1.243 20 5 CDBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C)n2)CCO1 ZINC000362665068 159207355 /nfs/dbraw/zinc/20/73/55/159207355.db2.gz NPHHRDJCEGEMJX-LBPRGKRZSA-N 1 2 294.355 1.243 20 5 CDBDLO Cc1c(C[N@@H+]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000071950984 176303919 /nfs/dbraw/zinc/30/39/19/176303919.db2.gz SVMMKQVJFSMDPA-ZDUSSCGKSA-N 1 2 277.324 1.743 20 5 CDBDLO Cc1c(C[N@H+]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000071950984 176303920 /nfs/dbraw/zinc/30/39/20/176303920.db2.gz SVMMKQVJFSMDPA-ZDUSSCGKSA-N 1 2 277.324 1.743 20 5 CDBDLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000077368147 177258686 /nfs/dbraw/zinc/25/86/86/177258686.db2.gz SUKLXKABIRASST-NXEZZACHSA-N 1 2 293.323 1.303 20 5 CDBDLO C[C@@H]1C[NH+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)S1 ZINC000530624149 281562056 /nfs/dbraw/zinc/56/20/56/281562056.db2.gz PXICOFWZJBUVCA-RKDXNWHRSA-N 1 2 270.358 1.654 20 5 CDBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000568950750 294127242 /nfs/dbraw/zinc/12/72/42/294127242.db2.gz IXTGLIPIDPPKPS-UHFFFAOYSA-N 1 2 273.296 1.473 20 5 CDBDLO CCOC(=O)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CC ZINC000183575186 323341572 /nfs/dbraw/zinc/34/15/72/323341572.db2.gz ANUORQGMCMZUNT-JQWIXIFHSA-N 1 2 298.343 1.359 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157313277 524962091 /nfs/dbraw/zinc/96/20/91/524962091.db2.gz MZFGPEQAXNTAKU-VIFPVBQESA-N 1 2 289.295 1.192 20 5 CDBDLO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000337209473 527079816 /nfs/dbraw/zinc/07/98/16/527079816.db2.gz AZDGCPYFJDOTLD-ZANVPECISA-N 1 2 293.298 1.444 20 5 CDBDLO O=C1NC[C@H]2[C@@H]1CCC[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000337209473 527079819 /nfs/dbraw/zinc/07/98/19/527079819.db2.gz AZDGCPYFJDOTLD-ZANVPECISA-N 1 2 293.298 1.444 20 5 CDBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725779686 574435749 /nfs/dbraw/zinc/43/57/49/574435749.db2.gz RLPNDXVNFYFYGG-SECBINFHSA-N 1 2 289.291 1.490 20 5 CDBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725779686 574435750 /nfs/dbraw/zinc/43/57/50/574435750.db2.gz RLPNDXVNFYFYGG-SECBINFHSA-N 1 2 289.291 1.490 20 5 CDBDLO COC1(C)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000774642403 575222956 /nfs/dbraw/zinc/22/29/56/575222956.db2.gz ACTGEYDMFLVVNL-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OCC2CC2)CC1 ZINC000743407808 576638700 /nfs/dbraw/zinc/63/87/00/576638700.db2.gz UYBNDOYZULLRNQ-UHFFFAOYSA-N 1 2 280.328 1.640 20 5 CDBDLO CNc1c(C(=O)OCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000793161098 619226952 /nfs/dbraw/zinc/22/69/52/619226952.db2.gz HPYWXBKTYXIEDQ-UHFFFAOYSA-N 1 2 290.279 1.727 20 5 CDBDLO Cc1ccnc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895245592 619486444 /nfs/dbraw/zinc/48/64/44/619486444.db2.gz GOCYUCJXUPAEIB-RYUDHWBXSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccnc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895245592 619486447 /nfs/dbraw/zinc/48/64/47/619486447.db2.gz GOCYUCJXUPAEIB-RYUDHWBXSA-N 1 2 293.371 1.344 20 5 CDBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895246682 619491807 /nfs/dbraw/zinc/49/18/07/619491807.db2.gz PBKSSZDKBGQNOW-MWLCHTKSSA-N 1 2 284.385 1.703 20 5 CDBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895246682 619491810 /nfs/dbraw/zinc/49/18/10/619491810.db2.gz PBKSSZDKBGQNOW-MWLCHTKSSA-N 1 2 284.385 1.703 20 5 CDBDLO CC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895769324 619835374 /nfs/dbraw/zinc/83/53/74/619835374.db2.gz BCUPQZHYHRCAKH-NSHDSACASA-N 1 2 263.297 1.913 20 5 CDBDLO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895769324 619835376 /nfs/dbraw/zinc/83/53/76/619835376.db2.gz BCUPQZHYHRCAKH-NSHDSACASA-N 1 2 263.297 1.913 20 5 CDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCc2[nH+]c[nH]c2C1 ZINC000853637223 685373538 /nfs/dbraw/zinc/37/35/38/685373538.db2.gz QZGZJKMORRLENY-UHFFFAOYSA-N 1 2 289.251 1.789 20 5 CDBDLO C[C@@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645751 684882229 /nfs/dbraw/zinc/88/22/29/684882229.db2.gz XMWXHTOSSJUBEU-GFCCVEGCSA-N 1 2 291.351 1.895 20 5 CDBDLO C[C@@H]1CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645751 684882233 /nfs/dbraw/zinc/88/22/33/684882233.db2.gz XMWXHTOSSJUBEU-GFCCVEGCSA-N 1 2 291.351 1.895 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000876549225 685951206 /nfs/dbraw/zinc/95/12/06/685951206.db2.gz LDJJFUJGSIHPOX-UHFFFAOYSA-N 1 2 291.351 1.922 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(=O)NC1CC1 ZINC000876549225 685951211 /nfs/dbraw/zinc/95/12/11/685951211.db2.gz LDJJFUJGSIHPOX-UHFFFAOYSA-N 1 2 291.351 1.922 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N1CCN(c2cccc[nH+]2)CC1 ZINC000891435141 686252544 /nfs/dbraw/zinc/25/25/44/686252544.db2.gz WTGHECUCPWUEHZ-UHFFFAOYSA-N 1 2 288.311 1.050 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000715852184 686399012 /nfs/dbraw/zinc/39/90/12/686399012.db2.gz GORJYPVBWZFAGV-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO Cc1c(C[NH2+][C@H](C)c2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000715884435 687010648 /nfs/dbraw/zinc/01/06/48/687010648.db2.gz YXIYDPPMDASALD-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO O=[N+]([O-])CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000791053372 687868519 /nfs/dbraw/zinc/86/85/19/687868519.db2.gz DUSVYUZNQRTCBI-UHFFFAOYSA-N 1 2 265.269 1.836 20 5 CDBDLO O=[N+]([O-])CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000791053372 687868521 /nfs/dbraw/zinc/86/85/21/687868521.db2.gz DUSVYUZNQRTCBI-UHFFFAOYSA-N 1 2 265.269 1.836 20 5 CDBDLO COC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212519 912336035 /nfs/dbraw/zinc/33/60/35/912336035.db2.gz AMIISHNHMDQUBK-ZJUUUORDSA-N 1 2 266.297 1.677 20 5 CDBDLO CCn1ncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000838915426 936896273 /nfs/dbraw/zinc/89/62/73/936896273.db2.gz LUPFQTQACFNYOD-UHFFFAOYSA-N 1 2 291.311 1.505 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)[NH+]1CCOCC1 ZINC001116893495 937478653 /nfs/dbraw/zinc/47/86/53/937478653.db2.gz NJDDHHBOLWRMAE-UHFFFAOYSA-N 1 2 294.355 1.243 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCn2cncc2C1 ZINC001119435968 937719674 /nfs/dbraw/zinc/71/96/74/937719674.db2.gz UMJROYZQPKTSGJ-UHFFFAOYSA-N 1 2 259.269 1.202 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCn2cncc2C1 ZINC001119435968 937719676 /nfs/dbraw/zinc/71/96/76/937719676.db2.gz UMJROYZQPKTSGJ-UHFFFAOYSA-N 1 2 259.269 1.202 20 5 CDBDLO O=[N+]([O-])c1cc[n+]([O-])c(NCCCn2cc[nH+]c2)c1F ZINC001161682605 938919600 /nfs/dbraw/zinc/91/96/00/938919600.db2.gz SFWWJEWSKIKPNR-UHFFFAOYSA-N 1 2 281.247 1.066 20 5 CDBDLO O=[N+]([O-])c1ccnc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164488256 939478206 /nfs/dbraw/zinc/47/82/06/939478206.db2.gz BDUHDFKWUOSFQQ-UHFFFAOYSA-N 1 2 258.228 1.035 20 5 CDBDLO CC[NH+]1CC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C1 ZINC001228672137 942354332 /nfs/dbraw/zinc/35/43/32/942354332.db2.gz PXAVCDGWGSOIQH-UHFFFAOYSA-N 1 2 276.296 1.862 20 5 CDBDLO C[C@@H](C[NH+](C)C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228970641 942401721 /nfs/dbraw/zinc/40/17/21/942401721.db2.gz KCWYGBKLZQBZDV-ZETCQYMHSA-N 1 2 256.258 1.335 20 5 CDBDLO CC[NH+]1CC(Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229398803 942465120 /nfs/dbraw/zinc/46/51/20/942465120.db2.gz AVNZGGKIMWDZEV-UHFFFAOYSA-N 1 2 274.280 1.621 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230601850 942654349 /nfs/dbraw/zinc/65/43/49/942654349.db2.gz RIKLRQROKGFYRJ-JTQLQIEISA-N 1 2 292.295 1.181 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230601850 942654352 /nfs/dbraw/zinc/65/43/52/942654352.db2.gz RIKLRQROKGFYRJ-JTQLQIEISA-N 1 2 292.295 1.181 20 5 CDBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001230724461 942685733 /nfs/dbraw/zinc/68/57/33/942685733.db2.gz WDXOFPBFGRSRPR-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001230724461 942685734 /nfs/dbraw/zinc/68/57/34/942685734.db2.gz WDXOFPBFGRSRPR-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC001326492412 954405509 /nfs/dbraw/zinc/40/55/09/954405509.db2.gz PEROJELZWLJIIY-NSHDSACASA-N 1 2 288.311 1.731 20 5 CDBDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001303498151 956094106 /nfs/dbraw/zinc/09/41/06/956094106.db2.gz OUTKSOBXASOHOG-SECBINFHSA-N 1 2 274.280 1.738 20 5 CDBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001333346724 958269212 /nfs/dbraw/zinc/26/92/12/958269212.db2.gz NKPRBGGDUJOWMX-GFCCVEGCSA-N 1 2 293.323 1.907 20 5 CDBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001333346724 958269226 /nfs/dbraw/zinc/26/92/26/958269226.db2.gz NKPRBGGDUJOWMX-GFCCVEGCSA-N 1 2 293.323 1.907 20 5 CDBDLO COc1ccc([C@@H](CN(C)C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001356620787 969443296 /nfs/dbraw/zinc/44/32/96/969443296.db2.gz DZGRXYSGBYZMOZ-CYBMUJFWSA-N 1 2 267.329 1.164 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000590379107 342540920 /nfs/dbraw/zinc/54/09/20/342540920.db2.gz LAPMRSVIBURYKU-UHFFFAOYSA-N 1 2 286.291 1.445 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590379107 342540921 /nfs/dbraw/zinc/54/09/21/342540921.db2.gz LAPMRSVIBURYKU-UHFFFAOYSA-N 1 2 286.291 1.445 20 5 CDBDLO CNC(=O)CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595339257 343030122 /nfs/dbraw/zinc/03/01/22/343030122.db2.gz VXYTUIYNBXPSCF-UHFFFAOYSA-N 1 2 296.327 1.239 20 5 CDBDLO O=c1[nH]ccc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000596099030 343235402 /nfs/dbraw/zinc/23/54/02/343235402.db2.gz XFMXIVFELPRTEU-UHFFFAOYSA-N 1 2 289.295 1.733 20 5 CDBDLO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])s1 ZINC000596169631 343258254 /nfs/dbraw/zinc/25/82/54/343258254.db2.gz JRUYCTTXUMCAKQ-SNVBAGLBSA-N 1 2 282.369 1.376 20 5 CDBDLO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000436965058 362160051 /nfs/dbraw/zinc/16/00/51/362160051.db2.gz JTCHUSPHNGNBEU-LBPRGKRZSA-N 1 2 293.323 1.370 20 5 CDBDLO CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000092546943 342417720 /nfs/dbraw/zinc/41/77/20/342417720.db2.gz LMYVHGISFVAUFB-LBPRGKRZSA-N 1 2 281.312 1.825 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1[nH+]ccn1C ZINC000598460203 343804877 /nfs/dbraw/zinc/80/48/77/343804877.db2.gz SNTJVCRSSVJQNU-MRVPVSSYSA-N 1 2 277.284 1.158 20 5 CDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000008279137 345509355 /nfs/dbraw/zinc/50/93/55/345509355.db2.gz ORTKJBVDFXOTND-UHFFFAOYSA-N 1 2 285.263 1.501 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(-n2c[nH+]c(CCCO)c2)c(F)c1 ZINC000610987965 346564342 /nfs/dbraw/zinc/56/43/42/346564342.db2.gz HOAJUGIZYQFEGS-UHFFFAOYSA-N 1 2 283.234 1.984 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055041761 347837939 /nfs/dbraw/zinc/83/79/39/347837939.db2.gz WPJFFWTYPSWGAC-UHFFFAOYSA-N 1 2 292.270 1.740 20 5 CDBDLO CCN(CC)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607692 365945520 /nfs/dbraw/zinc/94/55/20/365945520.db2.gz OVWQTULCPYZPTM-UHFFFAOYSA-N 1 2 291.351 1.821 20 5 CDBDLO CCN(CC)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607692 365945530 /nfs/dbraw/zinc/94/55/30/365945530.db2.gz OVWQTULCPYZPTM-UHFFFAOYSA-N 1 2 291.351 1.821 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000046037124 348783190 /nfs/dbraw/zinc/78/31/90/348783190.db2.gz QFILHDILVPCRFR-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000046037124 348783192 /nfs/dbraw/zinc/78/31/92/348783192.db2.gz QFILHDILVPCRFR-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000157034127 351582618 /nfs/dbraw/zinc/58/26/18/351582618.db2.gz OXQHFNUAPTVKJJ-DTWKUNHWSA-N 1 2 299.352 1.105 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCO1 ZINC000157034127 351582620 /nfs/dbraw/zinc/58/26/20/351582620.db2.gz OXQHFNUAPTVKJJ-DTWKUNHWSA-N 1 2 299.352 1.105 20 5 CDBDLO Cn1c[nH+]cc1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000431860566 357118629 /nfs/dbraw/zinc/11/86/29/357118629.db2.gz QXWWKHZWAIQMNT-UHFFFAOYSA-N 1 2 263.253 1.400 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000290572852 357222326 /nfs/dbraw/zinc/22/23/26/357222326.db2.gz UNKAGSSRUFMGNE-VIFPVBQESA-N 1 2 261.285 1.874 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070980752 357178236 /nfs/dbraw/zinc/17/82/36/357178236.db2.gz XDLFVRILOHSZLD-UHFFFAOYSA-N 1 2 278.243 1.729 20 5 CDBDLO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262215838 357449660 /nfs/dbraw/zinc/44/96/60/357449660.db2.gz OOUGUWHDLFNGGJ-JTQLQIEISA-N 1 2 293.323 1.420 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286774698 358003173 /nfs/dbraw/zinc/00/31/73/358003173.db2.gz GWCNZEXSUIXBOM-CYBMUJFWSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286774698 358003177 /nfs/dbraw/zinc/00/31/77/358003177.db2.gz GWCNZEXSUIXBOM-CYBMUJFWSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1Cl ZINC000370395802 358123480 /nfs/dbraw/zinc/12/34/80/358123480.db2.gz JCBYUQALCZKRDP-VHSXEESVSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)ccc1Cl ZINC000370395802 358123485 /nfs/dbraw/zinc/12/34/85/358123485.db2.gz JCBYUQALCZKRDP-VHSXEESVSA-N 1 2 286.715 1.176 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182082895 283396931 /nfs/dbraw/zinc/39/69/31/283396931.db2.gz VOVFUTSIWUKHQZ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182082895 283396935 /nfs/dbraw/zinc/39/69/35/283396935.db2.gz VOVFUTSIWUKHQZ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC000288032246 359148473 /nfs/dbraw/zinc/14/84/73/359148473.db2.gz CWPKFUFIXVKVIO-UHFFFAOYSA-N 1 2 264.289 1.428 20 5 CDBDLO Cn1c[nH+]cc1CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000571463257 359577034 /nfs/dbraw/zinc/57/70/34/359577034.db2.gz BEZZZZYUIZQFSD-UHFFFAOYSA-N 1 2 280.259 1.262 20 5 CDBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c[nH]1 ZINC000088753195 366555235 /nfs/dbraw/zinc/55/52/35/366555235.db2.gz PFMMIXPBKTUUIN-UHFFFAOYSA-N 1 2 292.320 1.726 20 5 CDBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1c[nH]c[nH+]1 ZINC000088753195 366555239 /nfs/dbraw/zinc/55/52/39/366555239.db2.gz PFMMIXPBKTUUIN-UHFFFAOYSA-N 1 2 292.320 1.726 20 5 CDBDLO Cc1c(C(=O)NCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000053253707 361405670 /nfs/dbraw/zinc/40/56/70/361405670.db2.gz ZDQJKJZKXZMOCC-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330700670 203131151 /nfs/dbraw/zinc/13/11/51/203131151.db2.gz HARCUMLDNXHRMW-GFCCVEGCSA-N 1 2 295.314 1.834 20 5 CDBDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330700670 203131154 /nfs/dbraw/zinc/13/11/54/203131154.db2.gz HARCUMLDNXHRMW-GFCCVEGCSA-N 1 2 295.314 1.834 20 5 CDBDLO Cc1cc(C(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000121810861 373121407 /nfs/dbraw/zinc/12/14/07/373121407.db2.gz MGLKUJVOOAMKNT-UHFFFAOYSA-N 1 2 263.297 1.291 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269693987 373841026 /nfs/dbraw/zinc/84/10/26/373841026.db2.gz VWGONIKDJJQBHJ-ZWNOBZJWSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269693987 373841031 /nfs/dbraw/zinc/84/10/31/373841031.db2.gz VWGONIKDJJQBHJ-ZWNOBZJWSA-N 1 2 266.297 1.349 20 5 CDBDLO Cc1c(CC(=O)NCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000161513437 374076831 /nfs/dbraw/zinc/07/68/31/374076831.db2.gz RHLYOAQKKPHYIL-UHFFFAOYSA-N 1 2 288.307 1.459 20 5 CDBDLO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277197867 374776206 /nfs/dbraw/zinc/77/62/06/374776206.db2.gz MHSZILZEIRHESE-FKIZINRSSA-N 1 2 296.392 1.980 20 5 CDBDLO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277197867 374776212 /nfs/dbraw/zinc/77/62/12/374776212.db2.gz MHSZILZEIRHESE-FKIZINRSSA-N 1 2 296.392 1.980 20 5 CDBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351971100 375054553 /nfs/dbraw/zinc/05/45/53/375054553.db2.gz ORAPAXFULMVPAW-LLVKDONJSA-N 1 2 279.296 1.053 20 5 CDBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351971100 375054558 /nfs/dbraw/zinc/05/45/58/375054558.db2.gz ORAPAXFULMVPAW-LLVKDONJSA-N 1 2 279.296 1.053 20 5 CDBDLO NC(=O)c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000025673622 375337110 /nfs/dbraw/zinc/33/71/10/375337110.db2.gz MVWFBBNMPVYUPO-UHFFFAOYSA-N 1 2 275.268 1.002 20 5 CDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000354634208 375735111 /nfs/dbraw/zinc/73/51/11/375735111.db2.gz PMMGFZALEGDZKV-UHFFFAOYSA-N 1 2 285.263 1.501 20 5 CDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1csc([N+](=O)[O-])c1 ZINC000427987012 247225855 /nfs/dbraw/zinc/22/58/55/247225855.db2.gz ABYLNKMWVITBHS-VIFPVBQESA-N 1 2 292.320 1.598 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000357273320 375894911 /nfs/dbraw/zinc/89/49/11/375894911.db2.gz OMSPDAKOFIFDAB-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000357273320 375894914 /nfs/dbraw/zinc/89/49/14/375894914.db2.gz OMSPDAKOFIFDAB-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357616432 378555118 /nfs/dbraw/zinc/55/51/18/378555118.db2.gz YGFXHIMGUJTNOL-JTQLQIEISA-N 1 2 275.312 1.916 20 5 CDBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357616432 378555123 /nfs/dbraw/zinc/55/51/23/378555123.db2.gz YGFXHIMGUJTNOL-JTQLQIEISA-N 1 2 275.312 1.916 20 5 CDBDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659192 250161718 /nfs/dbraw/zinc/16/17/18/250161718.db2.gz CNBPWLVCVZJLIN-WPRPVWTQSA-N 1 2 276.296 1.426 20 5 CDBDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659192 250161720 /nfs/dbraw/zinc/16/17/20/250161720.db2.gz CNBPWLVCVZJLIN-WPRPVWTQSA-N 1 2 276.296 1.426 20 5 CDBDLO 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ZINC000438840438 391934741 /nfs/dbraw/zinc/93/47/41/391934741.db2.gz ZDIWKMBDLUQPMS-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCCCn1cc[nH+]c1 ZINC000052812261 392105736 /nfs/dbraw/zinc/10/57/36/392105736.db2.gz YVOCIJBYTIBTDO-UHFFFAOYSA-N 1 2 261.285 1.997 20 5 CDBDLO COCC1(O)C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459632767 392493204 /nfs/dbraw/zinc/49/32/04/392493204.db2.gz FGWXNYBNHFQXNO-WUXMJOGZSA-N 1 2 292.335 1.691 20 5 CDBDLO CCn1cnnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000131378620 393030700 /nfs/dbraw/zinc/03/07/00/393030700.db2.gz PJKAETNJMCNXQU-UHFFFAOYSA-N 1 2 261.285 1.496 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2c[nH+]cn2C)n1 ZINC000357584881 157772321 /nfs/dbraw/zinc/77/23/21/157772321.db2.gz UGWXDLKXDXFFNI-UHFFFAOYSA-N 1 2 261.285 1.952 20 5 CDBDLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000359584425 158298047 /nfs/dbraw/zinc/29/80/47/158298047.db2.gz YADAPKMMRJAWCS-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000285322056 196250696 /nfs/dbraw/zinc/25/06/96/196250696.db2.gz NDMNZAWLDDHXFK-QMMMGPOBSA-N 1 2 290.283 1.061 20 5 CDBDLO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C[NH3+] ZINC000262022977 279664763 /nfs/dbraw/zinc/66/47/63/279664763.db2.gz YNNQCHFRKFKUKD-CABZTGNLSA-N 1 2 293.323 1.500 20 5 CDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1[nH]cc[nH+]1 ZINC000134301085 279771619 /nfs/dbraw/zinc/77/16/19/279771619.db2.gz GWZOPWGEFJXZFM-UHFFFAOYSA-N 1 2 299.290 1.658 20 5 CDBDLO COc1cc(CNc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000555104403 290203975 /nfs/dbraw/zinc/20/39/75/290203975.db2.gz JPBULIWNAYZDDE-UHFFFAOYSA-N 1 2 278.268 1.947 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274198751 304531369 /nfs/dbraw/zinc/53/13/69/304531369.db2.gz GMIRVQNDDHTDRS-AWEZNQCLSA-N 1 2 291.307 1.126 20 5 CDBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1[nH]cc[nH+]1 ZINC000576523027 317155163 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927075742 621685502 /nfs/dbraw/zinc/68/55/02/621685502.db2.gz ZWZGXBTYZASVBZ-VXGBXAGGSA-N 1 2 290.323 1.150 20 5 CDBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H]2CO)c1 ZINC000902633153 625067024 /nfs/dbraw/zinc/06/70/24/625067024.db2.gz SCVZYGYIUGJYLS-LBPRGKRZSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]2CO)c1 ZINC000902633153 625067031 /nfs/dbraw/zinc/06/70/31/625067031.db2.gz SCVZYGYIUGJYLS-LBPRGKRZSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793747590 692886445 /nfs/dbraw/zinc/88/64/45/692886445.db2.gz XHNOFAJPAHVIGE-GFCCVEGCSA-N 1 2 280.328 1.497 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793747590 692886450 /nfs/dbraw/zinc/88/64/50/692886450.db2.gz XHNOFAJPAHVIGE-GFCCVEGCSA-N 1 2 280.328 1.497 20 5 CDBDLO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cc[nH+]c(N(C)C)c1 ZINC000840209014 692996871 /nfs/dbraw/zinc/99/68/71/692996871.db2.gz RALUGDDRRQGTIJ-UHFFFAOYSA-N 1 2 288.307 1.574 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000872772068 694567032 /nfs/dbraw/zinc/56/70/32/694567032.db2.gz OZWKEGWUZDKAQV-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000872772068 694567038 /nfs/dbraw/zinc/56/70/38/694567038.db2.gz OZWKEGWUZDKAQV-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000851752104 693013749 /nfs/dbraw/zinc/01/37/49/693013749.db2.gz ZCUJMNVTXYKAAR-LBPRGKRZSA-N 1 2 295.314 1.834 20 5 CDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000851752104 693013754 /nfs/dbraw/zinc/01/37/54/693013754.db2.gz ZCUJMNVTXYKAAR-LBPRGKRZSA-N 1 2 295.314 1.834 20 5 CDBDLO Cc1nn(C[N@@H+](C)[C@@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000106857818 693151832 /nfs/dbraw/zinc/15/18/32/693151832.db2.gz UHFNEIGAPBQUFE-SNVBAGLBSA-N 1 2 254.290 1.086 20 5 CDBDLO Cc1nn(C[N@H+](C)[C@@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000106857818 693151834 /nfs/dbraw/zinc/15/18/34/693151834.db2.gz UHFNEIGAPBQUFE-SNVBAGLBSA-N 1 2 254.290 1.086 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000872771635 693190408 /nfs/dbraw/zinc/19/04/08/693190408.db2.gz JHOJCZVPHOYOOR-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000872771635 693190415 /nfs/dbraw/zinc/19/04/15/693190415.db2.gz JHOJCZVPHOYOOR-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[N@H+](CC(=O)NC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049024093 693248066 /nfs/dbraw/zinc/24/80/66/693248066.db2.gz RHWFQPHFLINJET-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049024093 693248068 /nfs/dbraw/zinc/24/80/68/693248068.db2.gz RHWFQPHFLINJET-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CC[NH2+]Cc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000843145838 694661774 /nfs/dbraw/zinc/66/17/74/694661774.db2.gz XHLUFAGXEMOMHD-UHFFFAOYSA-N 1 2 277.284 1.699 20 5 CDBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c2nonc21 ZINC000041063111 694694596 /nfs/dbraw/zinc/69/45/96/694694596.db2.gz SGGLPAMTCJSBDV-UHFFFAOYSA-N 1 2 274.240 1.440 20 5 CDBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000840122922 694741912 /nfs/dbraw/zinc/74/19/12/694741912.db2.gz JTEAXSKYVNRMBP-CABZTGNLSA-N 1 2 268.317 1.414 20 5 CDBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000840122922 694741921 /nfs/dbraw/zinc/74/19/21/694741921.db2.gz JTEAXSKYVNRMBP-CABZTGNLSA-N 1 2 268.317 1.414 20 5 CDBDLO CN(C)c1ccc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000863344045 694767179 /nfs/dbraw/zinc/76/71/79/694767179.db2.gz ZGGOFPNLOSWWEF-UHFFFAOYSA-N 1 2 292.255 1.209 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000135553848 694799720 /nfs/dbraw/zinc/79/97/20/694799720.db2.gz DXDJINKQEFYWFZ-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO CCn1c[nH+]c2c1CCN(Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000933252722 694866698 /nfs/dbraw/zinc/86/66/98/694866698.db2.gz HDBKBMGLRAKUIZ-UHFFFAOYSA-N 1 2 291.311 1.666 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000775096525 723679581 /nfs/dbraw/zinc/67/95/81/723679581.db2.gz DEAMKMCIFHBVHW-MFKMUULPSA-N 1 2 293.279 1.317 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000775096525 723679582 /nfs/dbraw/zinc/67/95/82/723679582.db2.gz DEAMKMCIFHBVHW-MFKMUULPSA-N 1 2 293.279 1.317 20 5 CDBDLO CCN1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001173234413 912325066 /nfs/dbraw/zinc/32/50/66/912325066.db2.gz RESKVRNAFMCYKX-LBPRGKRZSA-N 1 2 291.351 1.690 20 5 CDBDLO CCN1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001173234413 912325083 /nfs/dbraw/zinc/32/50/83/912325083.db2.gz RESKVRNAFMCYKX-LBPRGKRZSA-N 1 2 291.351 1.690 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001227062185 906001531 /nfs/dbraw/zinc/00/15/31/906001531.db2.gz IJHIUFBCKUZVQZ-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001227062185 906001545 /nfs/dbraw/zinc/00/15/45/906001545.db2.gz IJHIUFBCKUZVQZ-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000842624843 937065588 /nfs/dbraw/zinc/06/55/88/937065588.db2.gz KNKOUIYLWMYOMH-CQSZACIVSA-N 1 2 290.323 1.588 20 5 CDBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000842624843 937065590 /nfs/dbraw/zinc/06/55/90/937065590.db2.gz KNKOUIYLWMYOMH-CQSZACIVSA-N 1 2 290.323 1.588 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1N ZINC001157467498 938497655 /nfs/dbraw/zinc/49/76/55/938497655.db2.gz WUKISNFHDGGYPO-UHFFFAOYSA-N 1 2 276.300 1.295 20 5 CDBDLO Cc1nc(NC2CN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001161318910 938888132 /nfs/dbraw/zinc/88/81/32/938888132.db2.gz ALIPYAGELOUFOF-UHFFFAOYSA-N 1 2 285.307 1.994 20 5 CDBDLO CCOc1cnc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162682762 939116008 /nfs/dbraw/zinc/11/60/08/939116008.db2.gz GPZMYKYWQBCJEX-NSHDSACASA-N 1 2 296.327 1.131 20 5 CDBDLO CCOc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162682762 939116011 /nfs/dbraw/zinc/11/60/11/939116011.db2.gz GPZMYKYWQBCJEX-NSHDSACASA-N 1 2 296.327 1.131 20 5 CDBDLO Nc1cc([N+](=O)[O-])cnc1NCc1ccc2[nH+]ccn2c1 ZINC001163140297 939211265 /nfs/dbraw/zinc/21/12/65/939211265.db2.gz AFHZLNZEXDJKME-UHFFFAOYSA-N 1 2 284.279 1.832 20 5 CDBDLO COc1cc(OC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001225440885 941859962 /nfs/dbraw/zinc/85/99/62/941859962.db2.gz JEOOKWAYLJIMAL-NSHDSACASA-N 1 2 282.296 1.313 20 5 CDBDLO COc1cc(OC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001225440885 941859966 /nfs/dbraw/zinc/85/99/66/941859966.db2.gz JEOOKWAYLJIMAL-NSHDSACASA-N 1 2 282.296 1.313 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879893 942720969 /nfs/dbraw/zinc/72/09/69/942720969.db2.gz VDVNNFKQFPJDAC-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879893 942720974 /nfs/dbraw/zinc/72/09/74/942720974.db2.gz VDVNNFKQFPJDAC-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000611535014 346814675 /nfs/dbraw/zinc/81/46/75/346814675.db2.gz VYDZVQRAKMGDHM-SNVBAGLBSA-N 1 2 293.323 1.324 20 5 CDBDLO Cc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000590377961 342540869 /nfs/dbraw/zinc/54/08/69/342540869.db2.gz AFDOZLCVJOVRAT-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000590377961 342540870 /nfs/dbraw/zinc/54/08/70/342540870.db2.gz AFDOZLCVJOVRAT-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140788826 342071677 /nfs/dbraw/zinc/07/16/77/342071677.db2.gz VGCRNGZPEYBXKA-MRVPVSSYSA-N 1 2 290.279 1.818 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609150153 342092410 /nfs/dbraw/zinc/09/24/10/342092410.db2.gz RMORQAYVQSFUHI-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609150153 342092411 /nfs/dbraw/zinc/09/24/11/342092411.db2.gz RMORQAYVQSFUHI-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594438065 342906105 /nfs/dbraw/zinc/90/61/05/342906105.db2.gz ZETAFYCLLIAWNU-YGRLFVJLSA-N 1 2 291.307 1.629 20 5 CDBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428341 343057540 /nfs/dbraw/zinc/05/75/40/343057540.db2.gz XWGDYBYCVIREPO-HOGDKLEQSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428341 343057543 /nfs/dbraw/zinc/05/75/43/343057543.db2.gz XWGDYBYCVIREPO-HOGDKLEQSA-N 1 2 288.344 1.933 20 5 CDBDLO Cc1noc(C[N@H+](CCO)C2CCC2)c1[N+](=O)[O-] ZINC000595457756 343068508 /nfs/dbraw/zinc/06/85/08/343068508.db2.gz CZYDIDGRODWTSZ-UHFFFAOYSA-N 1 2 255.274 1.238 20 5 CDBDLO Cc1noc(C[N@@H+](CCO)C2CCC2)c1[N+](=O)[O-] ZINC000595457756 343068511 /nfs/dbraw/zinc/06/85/11/343068511.db2.gz CZYDIDGRODWTSZ-UHFFFAOYSA-N 1 2 255.274 1.238 20 5 CDBDLO CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000084713793 342380504 /nfs/dbraw/zinc/38/05/04/342380504.db2.gz IXKVXTNOHPEOJP-LLVKDONJSA-N 1 2 292.339 1.613 20 5 CDBDLO CC[N@H+](CCC(=O)OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092379913 342411803 /nfs/dbraw/zinc/41/18/03/342411803.db2.gz WGSFKAJOKZNHDY-UHFFFAOYSA-N 1 2 282.296 1.685 20 5 CDBDLO CC[N@@H+](CCC(=O)OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092379913 342411804 /nfs/dbraw/zinc/41/18/04/342411804.db2.gz WGSFKAJOKZNHDY-UHFFFAOYSA-N 1 2 282.296 1.685 20 5 CDBDLO CCn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598986102 343934927 /nfs/dbraw/zinc/93/49/27/343934927.db2.gz LQLHIJOTJLCOJA-UHFFFAOYSA-N 1 2 279.275 1.635 20 5 CDBDLO CC[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(=O)OC ZINC000602802340 344592227 /nfs/dbraw/zinc/59/22/27/344592227.db2.gz ZBLLSJOPHFIEHV-LBPRGKRZSA-N 1 2 284.316 1.031 20 5 CDBDLO Cc1cnc(N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000610284223 346243434 /nfs/dbraw/zinc/24/34/34/346243434.db2.gz RFDBJFGNWDHFQR-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610615573 346323538 /nfs/dbraw/zinc/32/35/38/346323538.db2.gz RHANFOOYWCZWPS-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610615573 346323543 /nfs/dbraw/zinc/32/35/43/346323543.db2.gz RHANFOOYWCZWPS-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000067182141 349016050 /nfs/dbraw/zinc/01/60/50/349016050.db2.gz QYIVSSMTNQVJKB-WAYWQWQTSA-N 1 2 286.291 1.621 20 5 CDBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000121895667 187003510 /nfs/dbraw/zinc/00/35/10/187003510.db2.gz RZWMYQOHHVFRRJ-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000411836206 363350946 /nfs/dbraw/zinc/35/09/46/363350946.db2.gz VMDNTMUWFRAEID-LBPRGKRZSA-N 1 2 254.261 1.765 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000411836206 363350950 /nfs/dbraw/zinc/35/09/50/363350950.db2.gz VMDNTMUWFRAEID-LBPRGKRZSA-N 1 2 254.261 1.765 20 5 CDBDLO CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc[nH+]1 ZINC000360293697 356985927 /nfs/dbraw/zinc/98/59/27/356985927.db2.gz KLTNEIGIODTDQN-UHFFFAOYSA-N 1 2 275.268 1.636 20 5 CDBDLO CN(Cc1[nH+]ccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072979481 357860506 /nfs/dbraw/zinc/86/05/06/357860506.db2.gz PVOHBZMQXKKBMY-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO CSC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189463871 358014095 /nfs/dbraw/zinc/01/40/95/358014095.db2.gz OSNCAYYVVOFNQC-NSHDSACASA-N 1 2 298.364 1.382 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000361341027 358164141 /nfs/dbraw/zinc/16/41/41/358164141.db2.gz LMPUEMAXKKDQNQ-ZJUUUORDSA-N 1 2 293.298 1.587 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000361341027 358164146 /nfs/dbraw/zinc/16/41/46/358164146.db2.gz LMPUEMAXKKDQNQ-ZJUUUORDSA-N 1 2 293.298 1.587 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339001873 359268383 /nfs/dbraw/zinc/26/83/83/359268383.db2.gz ZPPMBZIXVKDNBI-CYBMUJFWSA-N 1 2 268.288 1.810 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339001873 359268387 /nfs/dbraw/zinc/26/83/87/359268387.db2.gz ZPPMBZIXVKDNBI-CYBMUJFWSA-N 1 2 268.288 1.810 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353131512 360237062 /nfs/dbraw/zinc/23/70/62/360237062.db2.gz VTTOKERHBURVQT-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408086141 291299856 /nfs/dbraw/zinc/29/98/56/291299856.db2.gz GNRODBUIRNAUAC-IUCAKERBSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408086141 291299860 /nfs/dbraw/zinc/29/98/60/291299860.db2.gz GNRODBUIRNAUAC-IUCAKERBSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275627699 193090539 /nfs/dbraw/zinc/09/05/39/193090539.db2.gz UZLNFWLUGKESDA-SNVBAGLBSA-N 1 2 291.311 1.453 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)n1 ZINC000271010421 366954809 /nfs/dbraw/zinc/95/48/09/366954809.db2.gz ZSESZFVUWKKYJV-UHFFFAOYSA-N 1 2 261.285 1.668 20 5 CDBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138448 367042469 /nfs/dbraw/zinc/04/24/69/367042469.db2.gz AZFDNLHHNAGOGE-FZMZJTMJSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138448 367042477 /nfs/dbraw/zinc/04/24/77/367042477.db2.gz AZFDNLHHNAGOGE-FZMZJTMJSA-N 1 2 296.323 1.055 20 5 CDBDLO Cc1cc(NCc2ccc(N)[nH+]c2)ncc1[N+](=O)[O-] ZINC000302750870 201541491 /nfs/dbraw/zinc/54/14/91/201541491.db2.gz HDEISPWTAZABHZ-UHFFFAOYSA-N 1 2 259.269 1.888 20 5 CDBDLO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCCC1 ZINC001580245180 1172380982 /nfs/dbraw/zinc/38/09/82/1172380982.db2.gz BUOUXSGEMZPWJJ-UHFFFAOYSA-N 1 2 279.296 1.302 20 5 CDBDLO Cn1ccnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331942654 204319724 /nfs/dbraw/zinc/31/97/24/204319724.db2.gz PLARRENMISMOMH-UHFFFAOYSA-N 1 2 290.327 1.362 20 5 CDBDLO CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208219 374257310 /nfs/dbraw/zinc/25/73/10/374257310.db2.gz MNBKPIQPRQVXDH-UHFFFAOYSA-N 1 2 265.313 1.221 20 5 CDBDLO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OCC ZINC000130987985 374345761 /nfs/dbraw/zinc/34/57/61/374345761.db2.gz RKFIPFJZPGSXQO-LLVKDONJSA-N 1 2 284.316 1.113 20 5 CDBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000280344455 374992896 /nfs/dbraw/zinc/99/28/96/374992896.db2.gz HWSDMPBYKMYDAH-IUODEOHRSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000280344455 374992907 /nfs/dbraw/zinc/99/29/07/374992907.db2.gz HWSDMPBYKMYDAH-IUODEOHRSA-N 1 2 292.335 1.975 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCOCC1 ZINC000332383948 375030825 /nfs/dbraw/zinc/03/08/25/375030825.db2.gz VOZHDDLPLUWLFP-UHFFFAOYSA-N 1 2 293.323 1.564 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCOCC1 ZINC000332383948 375030829 /nfs/dbraw/zinc/03/08/29/375030829.db2.gz VOZHDDLPLUWLFP-UHFFFAOYSA-N 1 2 293.323 1.564 20 5 CDBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCNC1=O ZINC000282208699 375071564 /nfs/dbraw/zinc/07/15/64/375071564.db2.gz DFTXVGBDKMZZPS-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCNC1=O ZINC000282208699 375071568 /nfs/dbraw/zinc/07/15/68/375071568.db2.gz DFTXVGBDKMZZPS-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO NC(=O)C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302011099 375161046 /nfs/dbraw/zinc/16/10/46/375161046.db2.gz YLPPZUNDZSDISX-UHFFFAOYSA-N 1 2 284.341 1.018 20 5 CDBDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131469751 375269534 /nfs/dbraw/zinc/26/95/34/375269534.db2.gz QTXYYYXTLWGPDX-SNVBAGLBSA-N 1 2 289.335 1.620 20 5 CDBDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131469751 375269544 /nfs/dbraw/zinc/26/95/44/375269544.db2.gz QTXYYYXTLWGPDX-SNVBAGLBSA-N 1 2 289.335 1.620 20 5 CDBDLO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352830294 375541704 /nfs/dbraw/zinc/54/17/04/375541704.db2.gz JHWXDCHPHVDRRX-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352830294 375541714 /nfs/dbraw/zinc/54/17/14/375541714.db2.gz JHWXDCHPHVDRRX-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000227769113 375609706 /nfs/dbraw/zinc/60/97/06/375609706.db2.gz KWCZZFWCXRPMIY-CYBMUJFWSA-N 1 2 278.308 1.679 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296394062 376085383 /nfs/dbraw/zinc/08/53/83/376085383.db2.gz YZQNMCQGWHTJOB-GHMZBOCLSA-N 1 2 277.324 1.785 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296394062 376085394 /nfs/dbraw/zinc/08/53/94/376085394.db2.gz YZQNMCQGWHTJOB-GHMZBOCLSA-N 1 2 277.324 1.785 20 5 CDBDLO COc1ccc(OCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000266530203 190264051 /nfs/dbraw/zinc/26/40/51/190264051.db2.gz LWVGXUXCDWUOAA-LLVKDONJSA-N 1 2 296.323 1.703 20 5 CDBDLO COc1ccc(OCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000266530203 190264052 /nfs/dbraw/zinc/26/40/52/190264052.db2.gz LWVGXUXCDWUOAA-LLVKDONJSA-N 1 2 296.323 1.703 20 5 CDBDLO CCOc1cc(C[N@H+](C)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000492721772 253280674 /nfs/dbraw/zinc/28/06/74/253280674.db2.gz LBGITLDDJRJMIY-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO CCOc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000492721772 253280677 /nfs/dbraw/zinc/28/06/77/253280677.db2.gz LBGITLDDJRJMIY-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505642282 254091851 /nfs/dbraw/zinc/09/18/51/254091851.db2.gz WJNODKFVZPWFAL-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000153635375 390891056 /nfs/dbraw/zinc/89/10/56/390891056.db2.gz OHIACOQHCBBILK-UHFFFAOYSA-N 1 2 275.268 1.948 20 5 CDBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1(C)C ZINC000549846557 392634533 /nfs/dbraw/zinc/63/45/33/392634533.db2.gz JRZRPKGDIPKOEF-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1(C)C ZINC000549846557 392634537 /nfs/dbraw/zinc/63/45/37/392634537.db2.gz JRZRPKGDIPKOEF-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420991072 392924631 /nfs/dbraw/zinc/92/46/31/392924631.db2.gz VPGGOUGKKDYBFR-SNVBAGLBSA-N 1 2 281.287 1.444 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420991072 392924640 /nfs/dbraw/zinc/92/46/40/392924640.db2.gz VPGGOUGKKDYBFR-SNVBAGLBSA-N 1 2 281.287 1.444 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423724308 392967030 /nfs/dbraw/zinc/96/70/30/392967030.db2.gz HUJWTQKOHKNXGH-NOZJJQNGSA-N 1 2 277.280 1.239 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277272535 393127796 /nfs/dbraw/zinc/12/77/96/393127796.db2.gz RTLRNBHKCZPIDG-WYRIXSBYSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277272535 393127802 /nfs/dbraw/zinc/12/78/02/393127802.db2.gz RTLRNBHKCZPIDG-WYRIXSBYSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C ZINC000231677256 140217173 /nfs/dbraw/zinc/21/71/73/140217173.db2.gz DDBCZSOFWFNCRK-GXSJLCMTSA-N 1 2 293.323 1.513 20 5 CDBDLO O=c1c([N+](=O)[O-])cccn1Cc1[nH]c2ccccc2[nH+]1 ZINC000102203127 147148034 /nfs/dbraw/zinc/14/80/34/147148034.db2.gz AEIMWESUBUCRSE-UHFFFAOYSA-N 1 2 270.248 1.681 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000305749150 149152797 /nfs/dbraw/zinc/15/27/97/149152797.db2.gz WWTPUABOLHKHJK-DGCLKSJQSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000305749150 149152801 /nfs/dbraw/zinc/15/28/01/149152801.db2.gz WWTPUABOLHKHJK-DGCLKSJQSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C)[nH+]1 ZINC000353929967 156165655 /nfs/dbraw/zinc/16/56/55/156165655.db2.gz FDZPZQPXGLCIKU-UHFFFAOYSA-N 1 2 261.241 1.582 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000373786011 160227089 /nfs/dbraw/zinc/22/70/89/160227089.db2.gz DVWYYPUFGDTOJW-SNVBAGLBSA-N 1 2 293.323 1.314 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000373786011 160227090 /nfs/dbraw/zinc/22/70/90/160227090.db2.gz DVWYYPUFGDTOJW-SNVBAGLBSA-N 1 2 293.323 1.314 20 5 CDBDLO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285703179 196372056 /nfs/dbraw/zinc/37/20/56/196372056.db2.gz LRSXDZCDISEEJV-SNVBAGLBSA-N 1 2 281.312 1.548 20 5 CDBDLO CCOC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000038600932 174149459 /nfs/dbraw/zinc/14/94/59/174149459.db2.gz GJTDVJYUEOCEJT-JTQLQIEISA-N 1 2 266.297 1.679 20 5 CDBDLO CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C)[NH3+] ZINC000399753184 270375283 /nfs/dbraw/zinc/37/52/83/270375283.db2.gz VJBIUDBOFHFPSO-PRHODGIISA-N 1 2 281.312 1.858 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000070979453 279208793 /nfs/dbraw/zinc/20/87/93/279208793.db2.gz PQPMQQXKXYKKOH-VOTSOKGWSA-N 1 2 286.291 1.990 20 5 CDBDLO NC(=O)C1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119818989 279372086 /nfs/dbraw/zinc/37/20/86/279372086.db2.gz XWFZMYMRJQHDPX-UHFFFAOYSA-N 1 2 269.688 1.356 20 5 CDBDLO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000574450065 295001381 /nfs/dbraw/zinc/00/13/81/295001381.db2.gz CSWHALZHKSJVHZ-SSDOTTSWSA-N 1 2 265.269 1.379 20 5 CDBDLO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]12 ZINC000186911244 295341187 /nfs/dbraw/zinc/34/11/87/295341187.db2.gz OJBXTDBTMUYVKS-MXWKQRLJSA-N 1 2 291.307 1.110 20 5 CDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286470286 297266681 /nfs/dbraw/zinc/26/66/81/297266681.db2.gz VTFSIIVMFRDNEA-CHWSQXEVSA-N 1 2 291.351 1.894 20 5 CDBDLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000576204885 317094709 /nfs/dbraw/zinc/09/47/09/317094709.db2.gz CRHVERLDEMOWQD-JTQLQIEISA-N 1 2 288.307 1.748 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000338572481 521279957 /nfs/dbraw/zinc/27/99/57/521279957.db2.gz BRRWZEHVTLPFIZ-UHFFFAOYSA-N 1 2 290.279 1.647 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000338572481 521279968 /nfs/dbraw/zinc/27/99/68/521279968.db2.gz BRRWZEHVTLPFIZ-UHFFFAOYSA-N 1 2 290.279 1.647 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338588906 522975368 /nfs/dbraw/zinc/97/53/68/522975368.db2.gz OIOSEMYUVJLJEL-CYBMUJFWSA-N 1 2 284.287 1.510 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338588906 522975380 /nfs/dbraw/zinc/97/53/80/522975380.db2.gz OIOSEMYUVJLJEL-CYBMUJFWSA-N 1 2 284.287 1.510 20 5 CDBDLO CC(C)[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232713796 535059375 /nfs/dbraw/zinc/05/93/75/535059375.db2.gz RFFBHJLCOJDXJA-JTQLQIEISA-N 1 2 253.258 1.222 20 5 CDBDLO Cc1nnc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000755145881 575106991 /nfs/dbraw/zinc/10/69/91/575106991.db2.gz BDEJEMGTNWZJLV-UFBFGSQYSA-N 1 2 292.295 1.670 20 5 CDBDLO COCC1(C)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000773270571 575796629 /nfs/dbraw/zinc/79/66/29/575796629.db2.gz HGFQRODIROYBHI-UHFFFAOYSA-N 1 2 268.317 1.497 20 5 CDBDLO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000909602194 620494082 /nfs/dbraw/zinc/49/40/82/620494082.db2.gz SPHWIQHZJKBWFX-DGCLKSJQSA-N 1 2 277.324 1.660 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000886145477 695508568 /nfs/dbraw/zinc/50/85/68/695508568.db2.gz ZPILTBCYUWYPIP-LLVKDONJSA-N 1 2 274.284 1.028 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000886145477 695508569 /nfs/dbraw/zinc/50/85/69/695508569.db2.gz ZPILTBCYUWYPIP-LLVKDONJSA-N 1 2 274.284 1.028 20 5 CDBDLO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000802141482 695841325 /nfs/dbraw/zinc/84/13/25/695841325.db2.gz RDZZPOADXXGNBB-SNVBAGLBSA-N 1 2 297.311 1.189 20 5 CDBDLO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000802141482 695841326 /nfs/dbraw/zinc/84/13/26/695841326.db2.gz RDZZPOADXXGNBB-SNVBAGLBSA-N 1 2 297.311 1.189 20 5 CDBDLO CNc1nccc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000848790677 695849217 /nfs/dbraw/zinc/84/92/17/695849217.db2.gz HHQBMUCPSYMXGW-UHFFFAOYSA-N 1 2 291.267 1.085 20 5 CDBDLO COc1ccc(C[C@H](C)[NH2+]Cc2ncon2)c([N+](=O)[O-])c1 ZINC001170299701 1162328908 /nfs/dbraw/zinc/32/89/08/1162328908.db2.gz VLDOXBKPZPBEOV-VIFPVBQESA-N 1 2 292.295 1.707 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001610478318 1165327121 /nfs/dbraw/zinc/32/71/21/1165327121.db2.gz KFIQSRHDCVRGCE-ZDUSSCGKSA-N 1 2 293.323 1.152 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001610478318 1165327126 /nfs/dbraw/zinc/32/71/26/1165327126.db2.gz KFIQSRHDCVRGCE-ZDUSSCGKSA-N 1 2 293.323 1.152 20 5 CDBDLO Cc1cnc(COC(=O)[C@H]2CCCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC001574172343 1170903837 /nfs/dbraw/zinc/90/38/37/1170903837.db2.gz DRWAHFMNTFDYTI-LLVKDONJSA-N 1 2 293.323 1.792 20 5 CDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CO ZINC000820632966 725358553 /nfs/dbraw/zinc/35/85/53/725358553.db2.gz UFCCDUZVTRQPAW-JTQLQIEISA-N 1 2 274.704 1.033 20 5 CDBDLO Nc1cc(COC(=O)Cc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000791948890 723729980 /nfs/dbraw/zinc/72/99/80/723729980.db2.gz AWWJORLGZURHDH-UHFFFAOYSA-N 1 2 287.275 1.858 20 5 CDBDLO Cc1nn(C[NH+]2CCC(C)(O)CC2)c(C)c1[N+](=O)[O-] ZINC000177190351 723783026 /nfs/dbraw/zinc/78/30/26/723783026.db2.gz ZMCKQEGUKXOKCX-UHFFFAOYSA-N 1 2 268.317 1.212 20 5 CDBDLO Cn1cc(Cn2c[nH+]c(C(C)(C)C)c2)c([N+](=O)[O-])n1 ZINC000882280728 724015848 /nfs/dbraw/zinc/01/58/48/724015848.db2.gz JACZHIWQKIANSJ-UHFFFAOYSA-N 1 2 263.301 1.871 20 5 CDBDLO COCC[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000134390328 724100971 /nfs/dbraw/zinc/10/09/71/724100971.db2.gz OZRUESAJWMFQEH-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO COCC[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000134390328 724100974 /nfs/dbraw/zinc/10/09/74/724100974.db2.gz OZRUESAJWMFQEH-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H]1C ZINC000787242601 724787208 /nfs/dbraw/zinc/78/72/08/724787208.db2.gz IXLBDEJAVMVBJO-KOLCDFICSA-N 1 2 296.327 1.249 20 5 CDBDLO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H]1C ZINC000787242601 724787209 /nfs/dbraw/zinc/78/72/09/724787209.db2.gz IXLBDEJAVMVBJO-KOLCDFICSA-N 1 2 296.327 1.249 20 5 CDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CO ZINC000820632966 725358551 /nfs/dbraw/zinc/35/85/51/725358551.db2.gz UFCCDUZVTRQPAW-JTQLQIEISA-N 1 2 274.704 1.033 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCNC(=O)C1 ZINC000787406385 725927214 /nfs/dbraw/zinc/92/72/14/725927214.db2.gz JRCLMQQQJZHJQN-XYOKQWHBSA-N 1 2 289.335 1.820 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCNC(=O)C1 ZINC000787406385 725927218 /nfs/dbraw/zinc/92/72/18/725927218.db2.gz JRCLMQQQJZHJQN-XYOKQWHBSA-N 1 2 289.335 1.820 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(O)cc([N+](=O)[O-])c1 ZINC001199801831 925868371 /nfs/dbraw/zinc/86/83/71/925868371.db2.gz KCPMUGGXEBENTK-UHFFFAOYSA-N 1 2 292.251 1.245 20 5 CDBDLO CCOC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168969815 927591072 /nfs/dbraw/zinc/59/10/72/927591072.db2.gz FQURNDSIITYCIL-UWVGGRQHSA-N 1 2 256.302 1.117 20 5 CDBDLO CN1CC[NH+](C(C)(C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC001115827827 937422258 /nfs/dbraw/zinc/42/22/58/937422258.db2.gz KVXBQHXUUCDHGG-UHFFFAOYSA-N 1 2 293.371 1.428 20 5 CDBDLO Cc1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1C ZINC000231885199 932023489 /nfs/dbraw/zinc/02/34/89/932023489.db2.gz HOPUIXQAJSVBJR-UHFFFAOYSA-N 1 2 275.312 1.630 20 5 CDBDLO O=[N+]([O-])c1cc(F)cnc1NCC1([NH+]2CCCC2)COC1 ZINC001157650735 938527008 /nfs/dbraw/zinc/52/70/08/938527008.db2.gz UQEBEFVQYTWSKS-UHFFFAOYSA-N 1 2 296.302 1.406 20 5 CDBDLO Cc1cc(O[C@@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001225663577 941896064 /nfs/dbraw/zinc/89/60/64/941896064.db2.gz RBFJCAZTOJEWRK-NSHDSACASA-N 1 2 281.312 1.398 20 5 CDBDLO Cc1cc(C)c(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001228238520 942283334 /nfs/dbraw/zinc/28/33/34/942283334.db2.gz WDPAENCGCDKJHT-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc(C)c(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001228238520 942283337 /nfs/dbraw/zinc/28/33/37/942283337.db2.gz WDPAENCGCDKJHT-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO Nc1[nH]c2cc(O[C@@H](C[N+](=O)[O-])c3cccnc3)ccc2[nH+]1 ZINC001230516784 942629596 /nfs/dbraw/zinc/62/95/96/942629596.db2.gz UMKSZLGDWFGIBZ-ZDUSSCGKSA-N 1 2 299.290 1.937 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230601851 942654896 /nfs/dbraw/zinc/65/48/96/942654896.db2.gz RIKLRQROKGFYRJ-SNVBAGLBSA-N 1 2 292.295 1.181 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230601851 942654899 /nfs/dbraw/zinc/65/48/99/942654899.db2.gz RIKLRQROKGFYRJ-SNVBAGLBSA-N 1 2 292.295 1.181 20 5 CDBDLO Cc1noc(C[NH2+][C@H](C)c2cnn(C)c2C)c1[N+](=O)[O-] ZINC001328394102 955284203 /nfs/dbraw/zinc/28/42/03/955284203.db2.gz MFXRPYLJUWLUCS-SSDOTTSWSA-N 1 2 279.300 1.784 20 5 CDBDLO CNc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc[nH+]1 ZINC001333670430 958496325 /nfs/dbraw/zinc/49/63/25/958496325.db2.gz HKFRRHWQCVAZNS-UHFFFAOYSA-N 1 2 285.307 1.989 20 5 CDBDLO CNc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]cn1 ZINC001333670430 958496333 /nfs/dbraw/zinc/49/63/33/958496333.db2.gz HKFRRHWQCVAZNS-UHFFFAOYSA-N 1 2 285.307 1.989 20 5 CDBDLO Cn1cc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)cn1 ZINC001334049998 958795451 /nfs/dbraw/zinc/79/54/51/958795451.db2.gz VRCWNQGVMWRZRF-ZDUSSCGKSA-N 1 2 260.297 1.376 20 5 CDBDLO C[N@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001320339720 959096973 /nfs/dbraw/zinc/09/69/73/959096973.db2.gz CHGQHOJAOUSEJT-UHFFFAOYSA-N 1 2 287.703 1.111 20 5 CDBDLO C[N@@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001320339720 959096989 /nfs/dbraw/zinc/09/69/89/959096989.db2.gz CHGQHOJAOUSEJT-UHFFFAOYSA-N 1 2 287.703 1.111 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1[nH+]ccn1C ZINC001347338355 965479307 /nfs/dbraw/zinc/47/93/07/965479307.db2.gz DWTXLQBSGNLPSZ-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO CC1(C)COCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609120415 342090893 /nfs/dbraw/zinc/09/08/93/342090893.db2.gz JMQHDGCXQIPGLW-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO CC1(C)COCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609120415 342090894 /nfs/dbraw/zinc/09/08/94/342090894.db2.gz JMQHDGCXQIPGLW-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000591150720 342618922 /nfs/dbraw/zinc/61/89/22/342618922.db2.gz WCBLXNLRKAWDQC-JTQLQIEISA-N 1 2 296.302 1.040 20 5 CDBDLO CCc1nn(C)c(-n2c[nH+]c(CCCO)c2)c1[N+](=O)[O-] ZINC000588817865 342222593 /nfs/dbraw/zinc/22/25/93/342222593.db2.gz BMBJXVNSMOCRDE-UHFFFAOYSA-N 1 2 279.300 1.001 20 5 CDBDLO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595467564 343071553 /nfs/dbraw/zinc/07/15/53/343071553.db2.gz NCBFFLBRVBAXTJ-UWVGGRQHSA-N 1 2 285.300 1.175 20 5 CDBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCc2[nH+]c[nH]c2C1 ZINC000596237592 343282940 /nfs/dbraw/zinc/28/29/40/343282940.db2.gz VCFQFTBLYCIZBT-UHFFFAOYSA-N 1 2 279.687 1.929 20 5 CDBDLO Cc1nn(C)c(SCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000090069588 342393547 /nfs/dbraw/zinc/39/35/47/342393547.db2.gz FAARDPRPSCCSLK-UHFFFAOYSA-N 1 2 286.357 1.061 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1CNCc1[nH]cc[nH+]1)OCCO2 ZINC000610150859 346214145 /nfs/dbraw/zinc/21/41/45/346214145.db2.gz AHGOMQVZVORUCY-UHFFFAOYSA-N 1 2 290.279 1.379 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ncc[nH]1)OCCO2 ZINC000610150859 346214148 /nfs/dbraw/zinc/21/41/48/346214148.db2.gz AHGOMQVZVORUCY-UHFFFAOYSA-N 1 2 290.279 1.379 20 5 CDBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000053140850 346377981 /nfs/dbraw/zinc/37/79/81/346377981.db2.gz FNUBMQVOQXBDAB-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000053140850 346377983 /nfs/dbraw/zinc/37/79/83/346377983.db2.gz FNUBMQVOQXBDAB-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO O=[N+]([O-])c1ccsc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000611413677 346780791 /nfs/dbraw/zinc/78/07/91/346780791.db2.gz LQYSXACVLFDWRL-SECBINFHSA-N 1 2 268.342 1.068 20 5 CDBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054173093 347817722 /nfs/dbraw/zinc/81/77/22/347817722.db2.gz SOWRYCZMJCDRQK-SNVBAGLBSA-N 1 2 283.353 1.709 20 5 CDBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054173093 347817723 /nfs/dbraw/zinc/81/77/23/347817723.db2.gz SOWRYCZMJCDRQK-SNVBAGLBSA-N 1 2 283.353 1.709 20 5 CDBDLO Cn1c[nH+]cc1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000273408720 192141470 /nfs/dbraw/zinc/14/14/70/192141470.db2.gz OAOBYMSZZRAXPW-UHFFFAOYSA-N 1 2 258.281 1.891 20 5 CDBDLO Cn1c2ccccc2[nH+]c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000060336891 348886227 /nfs/dbraw/zinc/88/62/27/348886227.db2.gz ZNNVUXCGMPBELN-UHFFFAOYSA-N 1 2 284.275 1.692 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000355257049 366023299 /nfs/dbraw/zinc/02/32/99/366023299.db2.gz PPSAUGKHPRTGOK-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCO1 ZINC000157033979 351582570 /nfs/dbraw/zinc/58/25/70/351582570.db2.gz OXQHFNUAPTVKJJ-BDAKNGLRSA-N 1 2 299.352 1.105 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157033979 351582573 /nfs/dbraw/zinc/58/25/73/351582573.db2.gz OXQHFNUAPTVKJJ-BDAKNGLRSA-N 1 2 299.352 1.105 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000070979275 357178543 /nfs/dbraw/zinc/17/85/43/357178543.db2.gz DDTLHWHTWCKGRG-UHFFFAOYSA-N 1 2 290.279 1.355 20 5 CDBDLO CNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228564 357798985 /nfs/dbraw/zinc/79/89/85/357798985.db2.gz QUIZJRJPSHWXQX-UHFFFAOYSA-N 1 2 263.297 1.305 20 5 CDBDLO CNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228564 357798989 /nfs/dbraw/zinc/79/89/89/357798989.db2.gz QUIZJRJPSHWXQX-UHFFFAOYSA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000103468619 358924055 /nfs/dbraw/zinc/92/40/55/358924055.db2.gz ONYMDSKENQLCIE-SNVBAGLBSA-N 1 2 295.364 1.971 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2cccc([N+](=O)[O-])c2=O)c1 ZINC000339743820 359432483 /nfs/dbraw/zinc/43/24/83/359432483.db2.gz WBNFLZYTMFLFGQ-UHFFFAOYSA-N 1 2 275.264 1.517 20 5 CDBDLO CCOC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CC ZINC000183581347 189363067 /nfs/dbraw/zinc/36/30/67/189363067.db2.gz VPMJGGGUWSRPBT-JQWIXIFHSA-N 1 2 298.343 1.359 20 5 CDBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000581080215 363964229 /nfs/dbraw/zinc/96/42/29/363964229.db2.gz MICVGKKMEGCOCL-SNVBAGLBSA-N 1 2 288.307 1.813 20 5 CDBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000581080215 363964234 /nfs/dbraw/zinc/96/42/34/363964234.db2.gz MICVGKKMEGCOCL-SNVBAGLBSA-N 1 2 288.307 1.813 20 5 CDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC000582067813 364066848 /nfs/dbraw/zinc/06/68/48/364066848.db2.gz LAVBKJFSHHGGEC-UHFFFAOYSA-N 1 2 289.295 1.686 20 5 CDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC(C)(C)C ZINC000174839853 364581636 /nfs/dbraw/zinc/58/16/36/364581636.db2.gz ZUQIWHLHPXPKDO-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC(C)(C)C ZINC000174839853 364581640 /nfs/dbraw/zinc/58/16/40/364581640.db2.gz ZUQIWHLHPXPKDO-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000090165870 367021807 /nfs/dbraw/zinc/02/18/07/367021807.db2.gz RUJQQPXORHGDSU-UHFFFAOYSA-N 1 2 262.269 1.949 20 5 CDBDLO CCOc1cc(C[N@H+](C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000276982715 193522064 /nfs/dbraw/zinc/52/20/64/193522064.db2.gz YMZLKGNGIHJCAU-UHFFFAOYSA-N 1 2 295.339 1.514 20 5 CDBDLO CCOc1cc(C[N@@H+](C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000276982715 193522066 /nfs/dbraw/zinc/52/20/66/193522066.db2.gz YMZLKGNGIHJCAU-UHFFFAOYSA-N 1 2 295.339 1.514 20 5 CDBDLO C[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1=O ZINC000289526172 197389495 /nfs/dbraw/zinc/38/94/95/197389495.db2.gz LPNMTZMHIGKUCH-ZDUSSCGKSA-N 1 2 280.280 1.269 20 5 CDBDLO CCC[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423731432 246011136 /nfs/dbraw/zinc/01/11/36/246011136.db2.gz OCJNXKQNJPNKNN-QMMMGPOBSA-N 1 2 267.285 1.627 20 5 CDBDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000299240159 374581006 /nfs/dbraw/zinc/58/10/06/374581006.db2.gz RJYKFEGSRSBJAD-NSHDSACASA-N 1 2 288.307 1.918 20 5 CDBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000274998930 374687848 /nfs/dbraw/zinc/68/78/48/374687848.db2.gz PIBIRXYRVWYGJX-ZYHUDNBSSA-N 1 2 296.327 1.065 20 5 CDBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000274998930 374687851 /nfs/dbraw/zinc/68/78/51/374687851.db2.gz PIBIRXYRVWYGJX-ZYHUDNBSSA-N 1 2 296.327 1.065 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277818697 374816497 /nfs/dbraw/zinc/81/64/97/374816497.db2.gz QPTVJDBRNBTHKG-YPMHNXCESA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277818697 374816503 /nfs/dbraw/zinc/81/65/03/374816503.db2.gz QPTVJDBRNBTHKG-YPMHNXCESA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277197863 374778143 /nfs/dbraw/zinc/77/81/43/374778143.db2.gz MHSZILZEIRHESE-MPBGBICISA-N 1 2 296.392 1.980 20 5 CDBDLO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277197863 374778149 /nfs/dbraw/zinc/77/81/49/374778149.db2.gz MHSZILZEIRHESE-MPBGBICISA-N 1 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CC[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154313130 632174870 /nfs/dbraw/zinc/17/48/70/632174870.db2.gz DCTFTTRRJCAJFY-OCCSQVGLSA-N 1 2 280.324 1.739 20 5 CDBDLO CC(C)(C)c1cn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000871988711 726133411 /nfs/dbraw/zinc/13/34/11/726133411.db2.gz FFASETUFGIRTQB-NSHDSACASA-N 1 2 293.327 1.346 20 5 CDBDLO CO[C@H](C)C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795748126 726179359 /nfs/dbraw/zinc/17/93/59/726179359.db2.gz KZWTUUKAYCJJNO-SECBINFHSA-N 1 2 295.295 1.427 20 5 CDBDLO CO[C@H](C)C[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795748126 726179361 /nfs/dbraw/zinc/17/93/61/726179361.db2.gz KZWTUUKAYCJJNO-SECBINFHSA-N 1 2 295.295 1.427 20 5 CDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCCC1 ZINC000124326345 726900135 /nfs/dbraw/zinc/90/01/35/726900135.db2.gz XLVKAOHVJJARFG-UHFFFAOYSA-N 1 2 263.253 1.556 20 5 CDBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000882113580 726957892 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COc1ccnc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC001161682788 938919967 /nfs/dbraw/zinc/91/99/67/938919967.db2.gz YEDWLTUSOFJEAL-UHFFFAOYSA-N 1 2 277.284 1.697 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001227185577 942145884 /nfs/dbraw/zinc/14/58/84/942145884.db2.gz UVVIIPPTYMBBCF-NSHDSACASA-N 1 2 296.323 1.703 20 5 CDBDLO CC[N@@H+]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228969875 942400285 /nfs/dbraw/zinc/40/02/85/942400285.db2.gz DJUCDBYVJKZUFI-VIFPVBQESA-N 1 2 268.269 1.479 20 5 CDBDLO CC[N@H+]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228969875 942400288 /nfs/dbraw/zinc/40/02/88/942400288.db2.gz DJUCDBYVJKZUFI-VIFPVBQESA-N 1 2 268.269 1.479 20 5 CDBDLO C[N@@H+]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228968403 942400973 /nfs/dbraw/zinc/40/09/73/942400973.db2.gz IZLNEHAECNCWKV-MRVPVSSYSA-N 1 2 254.242 1.089 20 5 CDBDLO C[N@H+]1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228968403 942400974 /nfs/dbraw/zinc/40/09/74/942400974.db2.gz 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/nfs/dbraw/zinc/03/74/37/342037437.db2.gz PHGCLEYJACCRLE-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO O=[N+]([O-])c1ccc(CCNc2ccc(CO)c[nH+]2)cc1 ZINC000590595789 342579581 /nfs/dbraw/zinc/57/95/81/342579581.db2.gz FVAJJLCEXRBBES-UHFFFAOYSA-N 1 2 273.292 1.559 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609150191 342092375 /nfs/dbraw/zinc/09/23/75/342092375.db2.gz VISSSKCRMYTKNK-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609150191 342092376 /nfs/dbraw/zinc/09/23/76/342092376.db2.gz VISSSKCRMYTKNK-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccco2)CC1 ZINC000198782062 342634553 /nfs/dbraw/zinc/63/45/53/342634553.db2.gz SFHQDVGDFHRFRI-UHFFFAOYSA-N 1 2 291.311 1.244 20 5 CDBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc[nH+]1 ZINC000619098247 349627063 /nfs/dbraw/zinc/62/70/63/349627063.db2.gz JAMMGSZNBQJENM-UHFFFAOYSA-N 1 2 260.253 1.311 20 5 CDBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2CO)c1[N+](=O)[O-] 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CDBDLO Cc1noc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595466703 343071827 /nfs/dbraw/zinc/07/18/27/343071827.db2.gz KHAMDOBVSKICQZ-VIFPVBQESA-N 1 2 255.274 1.094 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595860904 343173847 /nfs/dbraw/zinc/17/38/47/343173847.db2.gz MJTLIDNLRFHANA-IINYFYTJSA-N 1 2 280.324 1.751 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595860904 343173848 /nfs/dbraw/zinc/17/38/48/343173848.db2.gz MJTLIDNLRFHANA-IINYFYTJSA-N 1 2 280.324 1.751 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC000219967076 344903771 /nfs/dbraw/zinc/90/37/71/344903771.db2.gz PPCFNCCIOUYYHU-UHFFFAOYSA-N 1 2 263.297 1.116 20 5 CDBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cn[nH]c1 ZINC000610487443 346292307 /nfs/dbraw/zinc/29/23/07/346292307.db2.gz LRNQKEJVYOGZSO-UHFFFAOYSA-N 1 2 289.295 1.388 20 5 CDBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cn[nH]c1 ZINC000610487443 346292310 /nfs/dbraw/zinc/29/23/10/346292310.db2.gz LRNQKEJVYOGZSO-UHFFFAOYSA-N 1 2 289.295 1.388 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)cn1 ZINC000611254501 346721389 /nfs/dbraw/zinc/72/13/89/346721389.db2.gz RWYFUTDKKFYGPW-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000055697034 347850314 /nfs/dbraw/zinc/85/03/14/347850314.db2.gz VXWBZRDDFKCVGD-DGCLKSJQSA-N 1 2 286.291 1.154 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4c[nH]nc4C3)nc2c1 ZINC000618288414 349428327 /nfs/dbraw/zinc/42/83/27/349428327.db2.gz GNIFTSWGEYHCDU-UHFFFAOYSA-N 1 2 298.306 1.753 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4c[nH]nc4C3)nc2c1 ZINC000618288414 349428329 /nfs/dbraw/zinc/42/83/29/349428329.db2.gz GNIFTSWGEYHCDU-UHFFFAOYSA-N 1 2 298.306 1.753 20 5 CDBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000129784274 365978003 /nfs/dbraw/zinc/97/80/03/365978003.db2.gz ABQJDPCROCBOTJ-JTQLQIEISA-N 1 2 284.316 1.063 20 5 CDBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000129784274 365978009 /nfs/dbraw/zinc/97/80/09/365978009.db2.gz ABQJDPCROCBOTJ-JTQLQIEISA-N 1 2 284.316 1.063 20 5 CDBDLO COC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091861493 351260247 /nfs/dbraw/zinc/26/02/47/351260247.db2.gz ILVLAWUDFUGJOD-NSHDSACASA-N 1 2 266.297 1.911 20 5 CDBDLO COC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091861493 351260249 /nfs/dbraw/zinc/26/02/49/351260249.db2.gz ILVLAWUDFUGJOD-NSHDSACASA-N 1 2 266.297 1.911 20 5 CDBDLO CN(CC(=O)NCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000361811132 358487747 /nfs/dbraw/zinc/48/77/47/358487747.db2.gz CJDNXHAXUJPUQD-UHFFFAOYSA-N 1 2 289.295 1.071 20 5 CDBDLO CC(C)[C@@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232757366 140224452 /nfs/dbraw/zinc/22/44/52/140224452.db2.gz ONABYHPCPYIYCH-SECBINFHSA-N 1 2 267.285 1.470 20 5 CDBDLO COc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000360396249 357114468 /nfs/dbraw/zinc/11/44/68/357114468.db2.gz RSOQUVASYGTYLI-UHFFFAOYSA-N 1 2 291.267 1.648 20 5 CDBDLO COCc1cc([N+](=O)[O-])ccc1N1CCn2c[nH+]cc2C1 ZINC000290702195 357285594 /nfs/dbraw/zinc/28/55/94/357285594.db2.gz NNDNUMMNBZDFQA-UHFFFAOYSA-N 1 2 288.307 1.958 20 5 CDBDLO C[N@H+](CCOCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000337466968 358047828 /nfs/dbraw/zinc/04/78/28/358047828.db2.gz UFDYKGRLACOJGK-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO C[N@@H+](CCOCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000337466968 358047831 /nfs/dbraw/zinc/04/78/31/358047831.db2.gz UFDYKGRLACOJGK-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO C[C@H](O)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000291252927 358901714 /nfs/dbraw/zinc/90/17/14/358901714.db2.gz OBDQXHPBQLMREP-ZETCQYMHSA-N 1 2 260.240 1.686 20 5 CDBDLO C[C@H](O)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000291252927 358901715 /nfs/dbraw/zinc/90/17/15/358901715.db2.gz OBDQXHPBQLMREP-ZETCQYMHSA-N 1 2 260.240 1.686 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1[nH]cc[nH+]1 ZINC000135489789 358996532 /nfs/dbraw/zinc/99/65/32/358996532.db2.gz HUJBEYJIUSWBNC-UHFFFAOYSA-N 1 2 274.280 1.219 20 5 CDBDLO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2[nH+]ccn21 ZINC000450835187 359013303 /nfs/dbraw/zinc/01/33/03/359013303.db2.gz WMVDXBAJFIFKIT-NKWVEPMBSA-N 1 2 275.272 1.112 20 5 CDBDLO CCOC(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050067149 359290028 /nfs/dbraw/zinc/29/00/28/359290028.db2.gz PLKKZQDWCDAFHV-UHFFFAOYSA-N 1 2 266.297 1.632 20 5 CDBDLO CCOC(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050067149 359290032 /nfs/dbraw/zinc/29/00/32/359290032.db2.gz PLKKZQDWCDAFHV-UHFFFAOYSA-N 1 2 266.297 1.632 20 5 CDBDLO O=C1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246807537 360942654 /nfs/dbraw/zinc/94/26/54/360942654.db2.gz YLUXOHXPEHIAOT-UONOGXRCSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246807537 360942656 /nfs/dbraw/zinc/94/26/56/360942656.db2.gz YLUXOHXPEHIAOT-UONOGXRCSA-N 1 2 289.335 1.838 20 5 CDBDLO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262271287 296027399 /nfs/dbraw/zinc/02/73/99/296027399.db2.gz VVHCETMBGRATSQ-MWLCHTKSSA-N 1 2 293.323 1.642 20 5 CDBDLO Cc1nc(N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268484476 364789315 /nfs/dbraw/zinc/78/93/15/364789315.db2.gz LXXKADBDACSEQW-UHFFFAOYSA-N 1 2 280.328 1.067 20 5 CDBDLO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181775080 365043140 /nfs/dbraw/zinc/04/31/40/365043140.db2.gz NMLHNBZNXYVLOZ-UHFFFAOYSA-N 1 2 295.339 1.762 20 5 CDBDLO COc1cc(N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000270933711 366946203 /nfs/dbraw/zinc/94/62/03/366946203.db2.gz LDUZYLJRLWEHNN-UHFFFAOYSA-N 1 2 276.296 1.973 20 5 CDBDLO CNC(=O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270807236 366932991 /nfs/dbraw/zinc/93/29/91/366932991.db2.gz VXGKYYFYDLAOMR-SECBINFHSA-N 1 2 251.286 1.334 20 5 CDBDLO CNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270807236 366933001 /nfs/dbraw/zinc/93/30/01/366933001.db2.gz VXGKYYFYDLAOMR-SECBINFHSA-N 1 2 251.286 1.334 20 5 CDBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774659 367021607 /nfs/dbraw/zinc/02/16/07/367021607.db2.gz ODALFCZJSGSUBX-UHFFFAOYSA-N 1 2 283.303 1.690 20 5 CDBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774659 367021611 /nfs/dbraw/zinc/02/16/11/367021611.db2.gz ODALFCZJSGSUBX-UHFFFAOYSA-N 1 2 283.303 1.690 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138560 367044539 /nfs/dbraw/zinc/04/45/39/367044539.db2.gz AZFDNLHHNAGOGE-BXUZGUMPSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138560 367044542 /nfs/dbraw/zinc/04/45/42/367044542.db2.gz AZFDNLHHNAGOGE-BXUZGUMPSA-N 1 2 296.323 1.055 20 5 CDBDLO Cc1nc(NCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000295620325 370525257 /nfs/dbraw/zinc/52/52/57/370525257.db2.gz ZQVZIQHKIWXRBH-UHFFFAOYSA-N 1 2 262.273 1.392 20 5 CDBDLO COC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272948868 373604145 /nfs/dbraw/zinc/60/41/45/373604145.db2.gz OKXNNPYMSFBQDB-CYBMUJFWSA-N 1 2 294.307 1.515 20 5 CDBDLO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423729656 246008570 /nfs/dbraw/zinc/00/85/70/246008570.db2.gz MVWDTAKVEAJKFV-VHSXEESVSA-N 1 2 279.296 1.627 20 5 CDBDLO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCC1 ZINC000423969947 246259880 /nfs/dbraw/zinc/25/98/80/246259880.db2.gz WIUNNIYKMGNZBK-LLVKDONJSA-N 1 2 293.323 1.548 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376693031 374566031 /nfs/dbraw/zinc/56/60/31/374566031.db2.gz DNGRUBUKANIITP-SNVBAGLBSA-N 1 2 286.291 1.992 20 5 CDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000274998911 374688283 /nfs/dbraw/zinc/68/82/83/374688283.db2.gz PIBIRXYRVWYGJX-CMPLNLGQSA-N 1 2 296.327 1.065 20 5 CDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000274998911 374688287 /nfs/dbraw/zinc/68/82/87/374688287.db2.gz PIBIRXYRVWYGJX-CMPLNLGQSA-N 1 2 296.327 1.065 20 5 CDBDLO Cc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276709972 374743938 /nfs/dbraw/zinc/74/39/38/374743938.db2.gz ORHHDAZQVZIFJX-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277479214 374789300 /nfs/dbraw/zinc/78/93/00/374789300.db2.gz MPECRZIZLDFGCF-WLRWDXFRSA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277479214 374789307 /nfs/dbraw/zinc/78/93/07/374789307.db2.gz MPECRZIZLDFGCF-WLRWDXFRSA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@H]1C[N@H+](CCSc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000331352417 374937940 /nfs/dbraw/zinc/93/79/40/374937940.db2.gz OQGZDJVCZCNDNQ-JTQLQIEISA-N 1 2 283.353 1.803 20 5 CDBDLO C[C@H]1C[N@@H+](CCSc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000331352417 374937947 /nfs/dbraw/zinc/93/79/47/374937947.db2.gz OQGZDJVCZCNDNQ-JTQLQIEISA-N 1 2 283.353 1.803 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC(O)C1 ZINC000332455108 375032074 /nfs/dbraw/zinc/03/20/74/375032074.db2.gz NIXMSVDLFMMGAV-UHFFFAOYSA-N 1 2 252.270 1.256 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC(O)C1 ZINC000332455108 375032080 /nfs/dbraw/zinc/03/20/80/375032080.db2.gz NIXMSVDLFMMGAV-UHFFFAOYSA-N 1 2 252.270 1.256 20 5 CDBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCNC1=O ZINC000282455713 375086714 /nfs/dbraw/zinc/08/67/14/375086714.db2.gz STMDEUJLFVCTJJ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCNC1=O ZINC000282455713 375086717 /nfs/dbraw/zinc/08/67/17/375086717.db2.gz STMDEUJLFVCTJJ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351971101 375053662 /nfs/dbraw/zinc/05/36/62/375053662.db2.gz ORAPAXFULMVPAW-NSHDSACASA-N 1 2 279.296 1.053 20 5 CDBDLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351971101 375053670 /nfs/dbraw/zinc/05/36/70/375053670.db2.gz ORAPAXFULMVPAW-NSHDSACASA-N 1 2 279.296 1.053 20 5 CDBDLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262318520 190052839 /nfs/dbraw/zinc/05/28/39/190052839.db2.gz DVOPDZHNKNHZRC-PSASIEDQSA-N 1 2 279.296 1.171 20 5 CDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1[nH]cc[nH+]1 ZINC000140649933 376959051 /nfs/dbraw/zinc/95/90/51/376959051.db2.gz CKDMZZIOPPERND-SSDOTTSWSA-N 1 2 264.241 1.792 20 5 CDBDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000266864700 190285953 /nfs/dbraw/zinc/28/59/53/190285953.db2.gz LVHNPBQQYMDKJI-JTQLQIEISA-N 1 2 287.323 1.983 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000175225836 379670117 /nfs/dbraw/zinc/67/01/17/379670117.db2.gz XUUMVIRHOXAWNC-UHFFFAOYSA-N 1 2 297.274 1.386 20 5 CDBDLO CCOC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000453011564 252249565 /nfs/dbraw/zinc/24/95/65/252249565.db2.gz ICMMCLXDVPFHGZ-UHFFFAOYSA-N 1 2 293.323 1.644 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266894688 391011003 /nfs/dbraw/zinc/01/10/03/391011003.db2.gz GEOCFPSCSCEDMC-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266894688 391011007 /nfs/dbraw/zinc/01/10/07/391011007.db2.gz GEOCFPSCSCEDMC-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO Cc1nc(NC(C)(C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000413555423 391239863 /nfs/dbraw/zinc/23/98/63/391239863.db2.gz YLWCBBWVWOXYNR-UHFFFAOYSA-N 1 2 295.343 1.216 20 5 CDBDLO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714037 391775171 /nfs/dbraw/zinc/77/51/71/391775171.db2.gz YOJRUVOAQOKPJX-JTQLQIEISA-N 1 2 265.313 1.503 20 5 CDBDLO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714037 391775173 /nfs/dbraw/zinc/77/51/73/391775173.db2.gz YOJRUVOAQOKPJX-JTQLQIEISA-N 1 2 265.313 1.503 20 5 CDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000548742020 392509291 /nfs/dbraw/zinc/50/92/91/392509291.db2.gz WLBFUVBBEHRTHN-VIFPVBQESA-N 1 2 290.283 1.408 20 5 CDBDLO Cn1ncc2c1nc(NCc1ccc([N+](=O)[O-])cc1)[nH+]c2N ZINC000302899194 393202642 /nfs/dbraw/zinc/20/26/42/393202642.db2.gz SCHWPHBBGSBGDR-UHFFFAOYSA-N 1 2 299.294 1.466 20 5 CDBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037270548 393308896 /nfs/dbraw/zinc/30/88/96/393308896.db2.gz UPONIGGRFKHEMY-UHFFFAOYSA-N 1 2 285.731 1.768 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037270548 393308898 /nfs/dbraw/zinc/30/88/98/393308898.db2.gz UPONIGGRFKHEMY-UHFFFAOYSA-N 1 2 285.731 1.768 20 5 CDBDLO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000236193625 140238537 /nfs/dbraw/zinc/23/85/37/140238537.db2.gz LCZGWSSCLFJGLD-UHFFFAOYSA-N 1 2 265.269 1.510 20 5 CDBDLO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262269674 149042970 /nfs/dbraw/zinc/04/29/70/149042970.db2.gz VPLDFYXAQKUHHZ-ZACCUICWSA-N 1 2 291.307 1.313 20 5 CDBDLO C[C@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349566343 154141867 /nfs/dbraw/zinc/14/18/67/154141867.db2.gz SHOGDSWDABHECD-NSHDSACASA-N 1 2 295.339 1.220 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000317445103 260228455 /nfs/dbraw/zinc/22/84/55/260228455.db2.gz MZFZDJWLWCORFV-SKDRFNHKSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000317445103 260228456 /nfs/dbraw/zinc/22/84/56/260228456.db2.gz MZFZDJWLWCORFV-SKDRFNHKSA-N 1 2 286.715 1.033 20 5 CDBDLO CC1(O)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330453010 276171090 /nfs/dbraw/zinc/17/10/90/276171090.db2.gz LIHKVTYWMDJHJP-UHFFFAOYSA-N 1 2 266.297 1.647 20 5 CDBDLO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282520774 279234197 /nfs/dbraw/zinc/23/41/97/279234197.db2.gz YDHARRRRIKEQMG-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282520774 279234198 /nfs/dbraw/zinc/23/41/98/279234198.db2.gz YDHARRRRIKEQMG-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO Cc1cc(=O)n(CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515672536 280905032 /nfs/dbraw/zinc/90/50/32/280905032.db2.gz CUKVXJWFZMGEJD-VXGBXAGGSA-N 1 2 295.339 1.174 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000522275576 281095895 /nfs/dbraw/zinc/09/58/95/281095895.db2.gz PPLFSFDLBGBHAC-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000522275576 281095896 /nfs/dbraw/zinc/09/58/96/281095896.db2.gz PPLFSFDLBGBHAC-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO O=C(Cn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000582819106 325048667 /nfs/dbraw/zinc/04/86/67/325048667.db2.gz NFUYMCHZMDECNM-UHFFFAOYSA-N 1 2 294.698 1.761 20 5 CDBDLO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000291837933 528827697 /nfs/dbraw/zinc/82/76/97/528827697.db2.gz GOABZEZPUNLFCR-SNVBAGLBSA-N 1 2 295.339 1.759 20 5 CDBDLO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000291837933 528827701 /nfs/dbraw/zinc/82/77/01/528827701.db2.gz GOABZEZPUNLFCR-SNVBAGLBSA-N 1 2 295.339 1.759 20 5 CDBDLO CC[N@H+](CC(=O)NC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674426 576788715 /nfs/dbraw/zinc/78/87/15/576788715.db2.gz WSXODPAQDRDIIH-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CC[N@@H+](CC(=O)NC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674426 576788716 /nfs/dbraw/zinc/78/87/16/576788716.db2.gz WSXODPAQDRDIIH-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000748268322 576903509 /nfs/dbraw/zinc/90/35/09/576903509.db2.gz SDJWJRZMFPHCHM-GFCCVEGCSA-N 1 2 296.327 1.019 20 5 CDBDLO CCn1cnc2c1CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000933256162 617379892 /nfs/dbraw/zinc/37/98/92/617379892.db2.gz KHWBRVAAILLVSF-UHFFFAOYSA-N 1 2 287.323 1.765 20 5 CDBDLO CCn1cnc2c1CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000933256162 617379894 /nfs/dbraw/zinc/37/98/94/617379894.db2.gz KHWBRVAAILLVSF-UHFFFAOYSA-N 1 2 287.323 1.765 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895246321 619491663 /nfs/dbraw/zinc/49/16/63/619491663.db2.gz MYMWFGPOLLPAAN-DGCLKSJQSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000895246321 619491665 /nfs/dbraw/zinc/49/16/65/619491665.db2.gz MYMWFGPOLLPAAN-DGCLKSJQSA-N 1 2 293.371 1.344 20 5 CDBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246892 619493348 /nfs/dbraw/zinc/49/33/48/619493348.db2.gz QXOUJWOLVXHDEZ-PWSUYJOCSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246892 619493350 /nfs/dbraw/zinc/49/33/50/619493350.db2.gz QXOUJWOLVXHDEZ-PWSUYJOCSA-N 1 2 279.344 1.036 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000311501275 728896290 /nfs/dbraw/zinc/89/62/90/728896290.db2.gz AGNWGBPFQXPNQY-UHFFFAOYSA-N 1 2 269.276 1.431 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000311501275 728896291 /nfs/dbraw/zinc/89/62/91/728896291.db2.gz AGNWGBPFQXPNQY-UHFFFAOYSA-N 1 2 269.276 1.431 20 5 CDBDLO C=C=CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816699269 729032089 /nfs/dbraw/zinc/03/20/89/729032089.db2.gz GEJCOVBDIZOKPQ-UHFFFAOYSA-N 1 2 284.275 1.851 20 5 CDBDLO CC(=O)OC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000851865671 729319898 /nfs/dbraw/zinc/31/98/98/729319898.db2.gz WWHMDOCWLGFGCL-UHFFFAOYSA-N 1 2 283.284 1.419 20 5 CDBDLO Cc1noc(C[N@H+]2CCOCC[C@@H]2C)c1[N+](=O)[O-] ZINC000851908177 729464354 /nfs/dbraw/zinc/46/43/54/729464354.db2.gz ZOVDISUDNPLRFX-QMMMGPOBSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@@H+]2CCOCC[C@@H]2C)c1[N+](=O)[O-] ZINC000851908177 729464356 /nfs/dbraw/zinc/46/43/56/729464356.db2.gz ZOVDISUDNPLRFX-QMMMGPOBSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000877465572 729850482 /nfs/dbraw/zinc/85/04/82/729850482.db2.gz BJCHEONRGHZHBB-DGCLKSJQSA-N 1 2 294.351 1.793 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000877465572 729850483 /nfs/dbraw/zinc/85/04/83/729850483.db2.gz BJCHEONRGHZHBB-DGCLKSJQSA-N 1 2 294.351 1.793 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276.296 1.693 20 5 CDBDLO COc1cc(N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000107039918 186156186 /nfs/dbraw/zinc/15/61/86/186156186.db2.gz MLDOKCRVYVLWAV-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000271437821 191138309 /nfs/dbraw/zinc/13/83/09/191138309.db2.gz NUJYBOXGVWWSGV-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000271437821 191138311 /nfs/dbraw/zinc/13/83/11/191138311.db2.gz NUJYBOXGVWWSGV-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153727714 188100161 /nfs/dbraw/zinc/10/01/61/188100161.db2.gz DEQKCQNXXIJULA-NSHDSACASA-N 1 2 288.307 1.857 20 5 CDBDLO C[NH+](C)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000457286633 366109032 /nfs/dbraw/zinc/10/90/32/366109032.db2.gz IFSPHPULDMHOGZ-UHFFFAOYSA-N 1 2 296.308 1.958 20 5 CDBDLO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000279785819 363298810 /nfs/dbraw/zinc/29/88/10/363298810.db2.gz NZXCZNZTAQYBLG-NSHDSACASA-N 1 2 266.297 1.679 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336843352 356296516 /nfs/dbraw/zinc/29/65/16/356296516.db2.gz WPRNVZKJAXANSG-LLVKDONJSA-N 1 2 281.287 1.444 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336843352 356296521 /nfs/dbraw/zinc/29/65/21/356296521.db2.gz WPRNVZKJAXANSG-LLVKDONJSA-N 1 2 281.287 1.444 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070979366 357178596 /nfs/dbraw/zinc/17/85/96/357178596.db2.gz YKOCXOLALPNMQZ-UHFFFAOYSA-N 1 2 260.253 1.590 20 5 CDBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C[NH3+] ZINC000262022979 357355876 /nfs/dbraw/zinc/35/58/76/357355876.db2.gz YNNQCHFRKFKUKD-SKDRFNHKSA-N 1 2 293.323 1.500 20 5 CDBDLO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000188931843 357954580 /nfs/dbraw/zinc/95/45/80/357954580.db2.gz UTGSWDWDEBKJHQ-UHFFFAOYSA-N 1 2 295.339 1.714 20 5 CDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000611008736 358317556 /nfs/dbraw/zinc/31/75/56/358317556.db2.gz IPXSYQZSCFQQIJ-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000611008736 358317561 /nfs/dbraw/zinc/31/75/61/358317561.db2.gz IPXSYQZSCFQQIJ-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO CNc1ccc(Nc2nc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000339671797 359425852 /nfs/dbraw/zinc/42/58/52/359425852.db2.gz SXMMMSAEFSHJJH-UHFFFAOYSA-N 1 2 259.269 1.900 20 5 CDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000274250099 360053472 /nfs/dbraw/zinc/05/34/72/360053472.db2.gz ZNSFYOHNICJOMM-ZDUSSCGKSA-N 1 2 298.364 1.604 20 5 CDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000274250099 360053478 /nfs/dbraw/zinc/05/34/78/360053478.db2.gz ZNSFYOHNICJOMM-ZDUSSCGKSA-N 1 2 298.364 1.604 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000353592001 364878268 /nfs/dbraw/zinc/87/82/68/364878268.db2.gz ZANXRBJHFOLIKM-SNVBAGLBSA-N 1 2 266.297 1.978 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000353592001 364878278 /nfs/dbraw/zinc/87/82/78/364878278.db2.gz ZANXRBJHFOLIKM-SNVBAGLBSA-N 1 2 266.297 1.978 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249586701 364922139 /nfs/dbraw/zinc/92/21/39/364922139.db2.gz UCRLDTAWWTXKNY-ZWNOBZJWSA-N 1 2 277.324 1.681 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249586701 364922142 /nfs/dbraw/zinc/92/21/42/364922142.db2.gz UCRLDTAWWTXKNY-ZWNOBZJWSA-N 1 2 277.324 1.681 20 5 CDBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000270731446 366926273 /nfs/dbraw/zinc/92/62/73/366926273.db2.gz UNRDTHKFXXMDHM-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000270731446 366926274 /nfs/dbraw/zinc/92/62/74/366926274.db2.gz UNRDTHKFXXMDHM-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO COc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1[N+](=O)[O-] ZINC000414304318 241147772 /nfs/dbraw/zinc/14/77/72/241147772.db2.gz OOEXITUHHNQKJC-UHFFFAOYSA-N 1 2 290.323 1.935 20 5 CDBDLO O=C1CCc2cc([N+](=O)[O-])c(-n3cc[nH+]c3)cc2N1 ZINC000170639302 366969411 /nfs/dbraw/zinc/96/94/11/366969411.db2.gz GHXDIVJZQOQUJZ-UHFFFAOYSA-N 1 2 258.237 1.665 20 5 CDBDLO Cc1nn(C)c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000301212747 368570057 /nfs/dbraw/zinc/57/00/57/368570057.db2.gz VZSJBCNNMCXYBL-ONGXEEELSA-N 1 2 297.359 1.158 20 5 CDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375944018 374525917 /nfs/dbraw/zinc/52/59/17/374525917.db2.gz YPXQXEPTNRKZNX-WYRIXSBYSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375944018 374525923 /nfs/dbraw/zinc/52/59/23/374525923.db2.gz YPXQXEPTNRKZNX-WYRIXSBYSA-N 1 2 282.365 1.938 20 5 CDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCn1cc[nH+]c1 ZINC000124365634 374782008 /nfs/dbraw/zinc/78/20/08/374782008.db2.gz GHPINTUBKFHNSG-UHFFFAOYSA-N 1 2 286.247 1.088 20 5 CDBDLO O=[N+]([O-])c1cccnc1NCC1([NH+]2CCOCC2)CC1 ZINC000277446276 374788177 /nfs/dbraw/zinc/78/81/77/374788177.db2.gz NRGZHPGUAQNAGU-UHFFFAOYSA-N 1 2 278.312 1.267 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330423651 374851148 /nfs/dbraw/zinc/85/11/48/374851148.db2.gz IKCRFIPYQIFXMX-SNVBAGLBSA-N 1 2 252.270 1.521 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330423651 374851152 /nfs/dbraw/zinc/85/11/52/374851152.db2.gz IKCRFIPYQIFXMX-SNVBAGLBSA-N 1 2 252.270 1.521 20 5 CDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000428366643 247288154 /nfs/dbraw/zinc/28/81/54/247288154.db2.gz YADMBPHEAODDQU-LLVKDONJSA-N 1 2 286.291 1.536 20 5 CDBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]CC1 ZINC000357222662 375893042 /nfs/dbraw/zinc/89/30/42/375893042.db2.gz HAWYCCFKSBCYJZ-UHFFFAOYSA-N 1 2 293.323 1.420 20 5 CDBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1[nH]cc[nH+]1 ZINC000140489199 376811095 /nfs/dbraw/zinc/81/10/95/376811095.db2.gz PIICEJMOKDURJU-SECBINFHSA-N 1 2 277.284 1.538 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172300144 377431605 /nfs/dbraw/zinc/43/16/05/377431605.db2.gz GRAUHGVJMIFVCY-LLVKDONJSA-N 1 2 298.314 1.707 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172300144 377431613 /nfs/dbraw/zinc/43/16/13/377431613.db2.gz GRAUHGVJMIFVCY-LLVKDONJSA-N 1 2 298.314 1.707 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172882220 377786480 /nfs/dbraw/zinc/78/64/80/377786480.db2.gz FITCKGLGKIUYKC-ZDUSSCGKSA-N 1 2 266.297 1.442 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172882220 377786486 /nfs/dbraw/zinc/78/64/86/377786486.db2.gz FITCKGLGKIUYKC-ZDUSSCGKSA-N 1 2 266.297 1.442 20 5 CDBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000452762732 252164775 /nfs/dbraw/zinc/16/47/75/252164775.db2.gz YGTAJDQSYCUYHU-UHFFFAOYSA-N 1 2 275.268 1.708 20 5 CDBDLO Cn1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000289376301 197319117 /nfs/dbraw/zinc/31/91/17/197319117.db2.gz KUCFLHHWVMUEJL-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000289376301 197319119 /nfs/dbraw/zinc/31/91/19/197319119.db2.gz KUCFLHHWVMUEJL-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO COCC[NH+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505605353 254090899 /nfs/dbraw/zinc/09/08/99/254090899.db2.gz GJTPCUVVMZBWKE-UHFFFAOYSA-N 1 2 286.303 1.829 20 5 CDBDLO CC(C)OC(=O)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000451601368 390635168 /nfs/dbraw/zinc/63/51/68/390635168.db2.gz GROQHDONAVRCIK-LBPRGKRZSA-N 1 2 298.343 1.357 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1c([N+](=O)[O-])ncn1C ZINC000268989673 391479238 /nfs/dbraw/zinc/47/92/38/391479238.db2.gz UJSVVMOBMZPSBC-UHFFFAOYSA-N 1 2 264.289 1.051 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000193975336 392105815 /nfs/dbraw/zinc/10/58/15/392105815.db2.gz SOUUOSHDHUDFCP-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000193975336 392105826 /nfs/dbraw/zinc/10/58/26/392105826.db2.gz SOUUOSHDHUDFCP-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC(n2cc[nH+]c2)C1 ZINC000523689956 392892186 /nfs/dbraw/zinc/89/21/86/392892186.db2.gz HGVUVUYQRJTXEN-UHFFFAOYSA-N 1 2 278.293 1.550 20 5 CDBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449643764 393137329 /nfs/dbraw/zinc/13/73/29/393137329.db2.gz CCZRSSMKJFNVSL-SECBINFHSA-N 1 2 299.277 1.569 20 5 CDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc[nH+]cc1 ZINC000180806635 148163322 /nfs/dbraw/zinc/16/33/22/148163322.db2.gz ORROAPNEZAVTOM-UHFFFAOYSA-N 1 2 293.304 1.932 20 5 CDBDLO Cc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000315119494 149257594 /nfs/dbraw/zinc/25/75/94/149257594.db2.gz PPJKDVNKANYDIR-UHFFFAOYSA-N 1 2 290.279 1.235 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000343291415 152106426 /nfs/dbraw/zinc/10/64/26/152106426.db2.gz YTFMBUHLLDWZCG-UHFFFAOYSA-N 1 2 266.282 1.320 20 5 CDBDLO CCOC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704427 155379841 /nfs/dbraw/zinc/37/98/41/155379841.db2.gz FLYMGRFEEHFBBV-ZDUSSCGKSA-N 1 2 296.323 1.187 20 5 CDBDLO CCOC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704427 155379843 /nfs/dbraw/zinc/37/98/43/155379843.db2.gz FLYMGRFEEHFBBV-ZDUSSCGKSA-N 1 2 296.323 1.187 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000349929640 154274491 /nfs/dbraw/zinc/27/44/91/154274491.db2.gz CGDUMHYZOJXMEU-UHFFFAOYSA-N 1 2 275.268 1.650 20 5 CDBDLO Cc1[nH]c2ccc(Cn3cccc([N+](=O)[O-])c3=O)cc2[nH+]1 ZINC000358863011 158056120 /nfs/dbraw/zinc/05/61/20/158056120.db2.gz QHDJREYLMVSAKD-UHFFFAOYSA-N 1 2 284.275 1.990 20 5 CDBDLO Cc1[nH]c2cc(Cn3cccc([N+](=O)[O-])c3=O)ccc2[nH+]1 ZINC000358863011 158056124 /nfs/dbraw/zinc/05/61/24/158056124.db2.gz QHDJREYLMVSAKD-UHFFFAOYSA-N 1 2 284.275 1.990 20 5 CDBDLO C[C@H](c1nnnn1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285167570 196211904 /nfs/dbraw/zinc/21/19/04/196211904.db2.gz AXCQAGPLVVBNFX-SNVBAGLBSA-N 1 2 290.327 1.354 20 5 CDBDLO C[C@H](c1nnnn1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285167570 196211906 /nfs/dbraw/zinc/21/19/06/196211906.db2.gz AXCQAGPLVVBNFX-SNVBAGLBSA-N 1 2 290.327 1.354 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103469763 270235040 /nfs/dbraw/zinc/23/50/40/270235040.db2.gz OIKQSGUSMOOOSK-GFCCVEGCSA-N 1 2 281.287 1.444 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103469763 270235042 /nfs/dbraw/zinc/23/50/42/270235042.db2.gz OIKQSGUSMOOOSK-GFCCVEGCSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000180433927 316010167 /nfs/dbraw/zinc/01/01/67/316010167.db2.gz VEMYNMARKHTHFW-VIFPVBQESA-N 1 2 273.296 1.818 20 5 CDBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000563356272 316267001 /nfs/dbraw/zinc/26/70/01/316267001.db2.gz WATQRVPCKDFVJI-UHFFFAOYSA-N 1 2 279.340 1.826 20 5 CDBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000563356272 316267004 /nfs/dbraw/zinc/26/70/04/316267004.db2.gz WATQRVPCKDFVJI-UHFFFAOYSA-N 1 2 279.340 1.826 20 5 CDBDLO CN1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000578903782 324055374 /nfs/dbraw/zinc/05/53/74/324055374.db2.gz ACQJAFITHQUUQJ-NSHDSACASA-N 1 2 293.323 1.353 20 5 CDBDLO CN1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000578903782 324055377 /nfs/dbraw/zinc/05/53/77/324055377.db2.gz ACQJAFITHQUUQJ-NSHDSACASA-N 1 2 293.323 1.353 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c([N+](=O)[O-])ncn1C ZINC000049235957 524964781 /nfs/dbraw/zinc/96/47/81/524964781.db2.gz OHDCPVVFIQWECH-QMMMGPOBSA-N 1 2 250.262 1.025 20 5 CDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000339204607 527470557 /nfs/dbraw/zinc/47/05/57/527470557.db2.gz IDAGAPMWTVOPNI-VIFPVBQESA-N 1 2 289.295 1.286 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000433748672 535322172 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C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895246893 619492886 /nfs/dbraw/zinc/49/28/86/619492886.db2.gz QXOUJWOLVXHDEZ-ZYHUDNBSSA-N 1 2 279.344 1.036 20 5 CDBDLO COc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000902776102 625360653 /nfs/dbraw/zinc/36/06/53/625360653.db2.gz GJMALGRRXJMMHD-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C ZINC000905852605 627022626 /nfs/dbraw/zinc/02/26/26/627022626.db2.gz JQJIHMHQJPDGCV-RKDXNWHRSA-N 1 2 276.300 1.530 20 5 CDBDLO Cn1cc(C[N@@H+]2CCc3cccc(N)c3C2)c([N+](=O)[O-])n1 ZINC001579963867 1172310419 /nfs/dbraw/zinc/31/04/19/1172310419.db2.gz ABFXFLOVTGRHIL-UHFFFAOYSA-N 1 2 287.323 1.469 20 5 CDBDLO Cn1cc(C[N@H+]2CCc3cccc(N)c3C2)c([N+](=O)[O-])n1 ZINC001579963867 1172310427 /nfs/dbraw/zinc/31/04/27/1172310427.db2.gz ABFXFLOVTGRHIL-UHFFFAOYSA-N 1 2 287.323 1.469 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@H](n3cccn3)C2)c(C)c1[N+](=O)[O-] ZINC000812294356 735344026 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/nfs/dbraw/zinc/47/84/80/734478480.db2.gz BOTIYAVSYFEFHI-UHFFFAOYSA-N 1 2 293.323 1.268 20 5 CDBDLO CO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC1(C)C ZINC000840126500 734507375 /nfs/dbraw/zinc/50/73/75/734507375.db2.gz UXVXZAHSGOKZBS-GFCCVEGCSA-N 1 2 282.344 1.804 20 5 CDBDLO CO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC1(C)C ZINC000840126500 734507377 /nfs/dbraw/zinc/50/73/77/734507377.db2.gz UXVXZAHSGOKZBS-GFCCVEGCSA-N 1 2 282.344 1.804 20 5 CDBDLO Cc1nn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000793740458 734554228 /nfs/dbraw/zinc/55/42/28/734554228.db2.gz DCGJAVHAQKGFLT-CYBMUJFWSA-N 1 2 294.355 1.806 20 5 CDBDLO Cc1nn(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000793740458 734554230 /nfs/dbraw/zinc/55/42/30/734554230.db2.gz DCGJAVHAQKGFLT-CYBMUJFWSA-N 1 2 294.355 1.806 20 5 CDBDLO CC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194118 734696972 /nfs/dbraw/zinc/69/69/72/734696972.db2.gz BCWFCZLUXIIOTN-UHFFFAOYSA-N 1 2 289.247 1.526 20 5 CDBDLO 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O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](CF)C1 ZINC001331035433 956780102 /nfs/dbraw/zinc/78/01/02/956780102.db2.gz DOYVEUPKUGSUGT-SECBINFHSA-N 1 2 295.270 1.752 20 5 CDBDLO O=[N+]([O-])c1ccc2ncnc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000589606164 342509641 /nfs/dbraw/zinc/50/96/41/342509641.db2.gz DANHDNWLPLNNOU-UHFFFAOYSA-N 1 2 296.290 1.755 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132947 342091723 /nfs/dbraw/zinc/09/17/23/342091723.db2.gz YLIXNNUVZWQEMG-JTQLQIEISA-N 1 2 276.300 1.366 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000047151016 342097382 /nfs/dbraw/zinc/09/73/82/342097382.db2.gz WSWXTVILVRUIMD-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO Cc1noc(C[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595307364 343031766 /nfs/dbraw/zinc/03/17/66/343031766.db2.gz TUALCIYPETUWLU-QMMMGPOBSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595307364 343031767 /nfs/dbraw/zinc/03/17/67/343031767.db2.gz TUALCIYPETUWLU-QMMMGPOBSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@H+]2CCCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000595387036 343052577 /nfs/dbraw/zinc/05/25/77/343052577.db2.gz NDAYLNQYKBGCIP-QMMMGPOBSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@@H+]2CCCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000595387036 343052578 /nfs/dbraw/zinc/05/25/78/343052578.db2.gz NDAYLNQYKBGCIP-QMMMGPOBSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595451225 343066038 /nfs/dbraw/zinc/06/60/38/343066038.db2.gz XTNDYCCOZIGLJP-IONNQARKSA-N 1 2 255.274 1.094 20 5 CDBDLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595451225 343066040 /nfs/dbraw/zinc/06/60/40/343066040.db2.gz XTNDYCCOZIGLJP-IONNQARKSA-N 1 2 255.274 1.094 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCSC[C@H]1CO ZINC000343715122 362506930 /nfs/dbraw/zinc/50/69/30/362506930.db2.gz HYGWCYIHKIRYBL-SECBINFHSA-N 1 2 286.328 1.644 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC[C@H]1CO ZINC000343715122 362506938 /nfs/dbraw/zinc/50/69/38/362506938.db2.gz HYGWCYIHKIRYBL-SECBINFHSA-N 1 2 286.328 1.644 20 5 CDBDLO Cc1ccc(NC(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000344140484 362544238 /nfs/dbraw/zinc/54/42/38/362544238.db2.gz FWKWTABLXIPXGQ-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO C[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293510025 362571451 /nfs/dbraw/zinc/57/14/51/362571451.db2.gz OGKWCISHFBVADC-UHFFFAOYSA-N 1 2 291.229 1.531 20 5 CDBDLO C[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293510025 362571466 /nfs/dbraw/zinc/57/14/66/362571466.db2.gz OGKWCISHFBVADC-UHFFFAOYSA-N 1 2 291.229 1.531 20 5 CDBDLO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1[nH]cc[nH+]1 ZINC000222961903 345536175 /nfs/dbraw/zinc/53/61/75/345536175.db2.gz KIXGQXPWWVPKIH-ZCFIWIBFSA-N 1 2 293.258 1.530 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609569303 345812574 /nfs/dbraw/zinc/81/25/74/345812574.db2.gz RFIYGBODSVNCAW-UHFFFAOYSA-N 1 2 288.263 1.221 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611101059 346608288 /nfs/dbraw/zinc/60/82/88/346608288.db2.gz XJODXDBJXHBUII-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611101059 346608291 /nfs/dbraw/zinc/60/82/91/346608291.db2.gz XJODXDBJXHBUII-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO CC[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000616136183 349307349 /nfs/dbraw/zinc/30/73/49/349307349.db2.gz PNYYGWYGCIBVBI-UHFFFAOYSA-N 1 2 278.268 1.043 20 5 CDBDLO CC[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000616136183 349307350 /nfs/dbraw/zinc/30/73/50/349307350.db2.gz PNYYGWYGCIBVBI-UHFFFAOYSA-N 1 2 278.268 1.043 20 5 CDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454331117 252342713 /nfs/dbraw/zinc/34/27/13/252342713.db2.gz QOSLPVHPOSPRCV-QMMMGPOBSA-N 1 2 277.284 1.630 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000157034252 351582815 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C[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000046483385 357143806 /nfs/dbraw/zinc/14/38/06/357143806.db2.gz PBXARKMALSBGAK-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO CSC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189463848 358014113 /nfs/dbraw/zinc/01/41/13/358014113.db2.gz OSNCAYYVVOFNQC-LLVKDONJSA-N 1 2 298.364 1.382 20 5 CDBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000294771435 199175499 /nfs/dbraw/zinc/17/54/99/199175499.db2.gz KGOLUXKYNSEGFD-UHFFFAOYSA-N 1 2 273.296 1.880 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC000288071281 359152529 /nfs/dbraw/zinc/15/25/29/359152529.db2.gz GWNIWPUYOCNCRN-UHFFFAOYSA-N 1 2 278.316 1.818 20 5 CDBDLO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009762 359272768 /nfs/dbraw/zinc/27/27/68/359272768.db2.gz IRXLEJPBCZITLF-NSHDSACASA-N 1 2 252.270 1.521 20 5 CDBDLO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009762 359272771 /nfs/dbraw/zinc/27/27/71/359272771.db2.gz IRXLEJPBCZITLF-NSHDSACASA-N 1 2 252.270 1.521 20 5 CDBDLO C[N@H+](CCc1cnccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064494 359282672 /nfs/dbraw/zinc/28/26/72/359282672.db2.gz IFWZPNWNGPTBRD-UHFFFAOYSA-N 1 2 288.307 1.765 20 5 CDBDLO C[N@@H+](CCc1cnccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064494 359282675 /nfs/dbraw/zinc/28/26/75/359282675.db2.gz IFWZPNWNGPTBRD-UHFFFAOYSA-N 1 2 288.307 1.765 20 5 CDBDLO CSCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235052913 359714621 /nfs/dbraw/zinc/71/46/21/359714621.db2.gz AZWUDLUEEWDIMM-MRVPVSSYSA-N 1 2 285.325 1.319 20 5 CDBDLO COc1ccc(C[NH2+][C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000050419440 359798862 /nfs/dbraw/zinc/79/88/62/359798862.db2.gz CXEBIMQDSOLART-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO CN(Cc1c[nH+]cn1C)Cc1ccccc1[N+](=O)[O-] ZINC000177004453 189020285 /nfs/dbraw/zinc/02/02/85/189020285.db2.gz ABUJAIMNFQBKEZ-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cn1cnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000581142395 363970963 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Cc1nonc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282560721 375092572 /nfs/dbraw/zinc/09/25/72/375092572.db2.gz YJYACNZXDACSFQ-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1nonc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282560721 375092581 /nfs/dbraw/zinc/09/25/81/375092581.db2.gz YJYACNZXDACSFQ-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO O=C1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2N1 ZINC000132256049 375426980 /nfs/dbraw/zinc/42/69/80/375426980.db2.gz NEPJXOVJWHSCCK-KGLIPLIRSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2N1 ZINC000132256049 375426987 /nfs/dbraw/zinc/42/69/87/375426987.db2.gz NEPJXOVJWHSCCK-KGLIPLIRSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000493373840 375447365 /nfs/dbraw/zinc/44/73/65/375447365.db2.gz VPKFLCPFRHOQLO-WAYWQWQTSA-N 1 2 286.291 1.690 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493445871 375454067 /nfs/dbraw/zinc/45/40/67/375454067.db2.gz USUDXQZETHFQHA-QWRGUYRKSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493445871 375454073 /nfs/dbraw/zinc/45/40/73/375454073.db2.gz USUDXQZETHFQHA-QWRGUYRKSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493445870 375454390 /nfs/dbraw/zinc/45/43/90/375454390.db2.gz USUDXQZETHFQHA-MNOVXSKESA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000493445870 375454392 /nfs/dbraw/zinc/45/43/92/375454392.db2.gz USUDXQZETHFQHA-MNOVXSKESA-N 1 2 291.307 1.792 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1C ZINC000426911978 247076286 /nfs/dbraw/zinc/07/62/86/247076286.db2.gz PEXPXRDSDJTXQF-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO Cn1c(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000354634043 375735773 /nfs/dbraw/zinc/73/57/73/375735773.db2.gz PAAFFVKEAHFHPW-UHFFFAOYSA-N 1 2 299.290 1.511 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347395112 376082372 /nfs/dbraw/zinc/08/23/72/376082372.db2.gz COFWPWKFHGMKRD-UHFFFAOYSA-N 1 2 298.306 1.908 20 5 CDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1c[nH+]c[nH]1 ZINC000446307896 250283905 /nfs/dbraw/zinc/28/39/05/250283905.db2.gz OOYCDVDJAJWNNK-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1c[nH]c[nH+]1 ZINC000446307896 250283909 /nfs/dbraw/zinc/28/39/09/250283909.db2.gz OOYCDVDJAJWNNK-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000493125612 253377340 /nfs/dbraw/zinc/37/73/40/253377340.db2.gz PMYRZILYQPJLEX-OWOJBTEDSA-N 1 2 299.290 1.311 20 5 CDBDLO CN1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413104390 391157931 /nfs/dbraw/zinc/15/79/31/391157931.db2.gz HEAJJEZPZSIHQS-SNVBAGLBSA-N 1 2 286.291 1.786 20 5 CDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363820951 391237443 /nfs/dbraw/zinc/23/74/43/391237443.db2.gz KJGFYUPILCZIBA-MFKMUULPSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363820951 391237446 /nfs/dbraw/zinc/23/74/46/391237446.db2.gz KJGFYUPILCZIBA-MFKMUULPSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000286008798 392010217 /nfs/dbraw/zinc/01/02/17/392010217.db2.gz DZQKQQGMORJYIX-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000488288731 392233301 /nfs/dbraw/zinc/23/33/01/392233301.db2.gz UGVZDYIJZXBEAU-UHFFFAOYSA-N 1 2 291.311 1.292 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NC(C)C ZINC000430220978 393093174 /nfs/dbraw/zinc/09/31/74/393093174.db2.gz RFKDGHLJGYJBNV-UHFFFAOYSA-N 1 2 295.339 1.560 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000430220978 393093183 /nfs/dbraw/zinc/09/31/83/393093183.db2.gz RFKDGHLJGYJBNV-UHFFFAOYSA-N 1 2 295.339 1.560 20 5 CDBDLO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000235310531 140234253 /nfs/dbraw/zinc/23/42/53/140234253.db2.gz CJGBQOJKDQKKRA-LDYMZIIASA-N 1 2 279.296 1.627 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183480932 148302922 /nfs/dbraw/zinc/30/29/22/148302922.db2.gz YTOTZGOGPYPNKW-UHFFFAOYSA-N 1 2 289.251 1.228 20 5 CDBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000343279371 152098972 /nfs/dbraw/zinc/09/89/72/152098972.db2.gz YLSAMWYAWUEUAG-JTQLQIEISA-N 1 2 274.284 1.682 20 5 CDBDLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000343309578 152114141 /nfs/dbraw/zinc/11/41/41/152114141.db2.gz MHUYILGGACJQTB-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000371110507 292286888 /nfs/dbraw/zinc/28/68/88/292286888.db2.gz ZDPZODYDTVTAPJ-LBPRGKRZSA-N 1 2 292.339 1.209 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccon1 ZINC000349235016 154071451 /nfs/dbraw/zinc/07/14/51/154071451.db2.gz FOQQCRTZCHGWAQ-QMMMGPOBSA-N 1 2 290.279 1.533 20 5 CDBDLO Cn1c(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000350146683 154340091 /nfs/dbraw/zinc/34/00/91/154340091.db2.gz MCXFCMABLVAXHT-UHFFFAOYSA-N 1 2 285.263 1.833 20 5 CDBDLO Nc1c([N+](=O)[O-])cnn1Cc1[nH+]ccn1CC(F)(F)F ZINC000353727500 156044671 /nfs/dbraw/zinc/04/46/71/156044671.db2.gz XDZFRVJOKCQWQT-UHFFFAOYSA-N 1 2 290.205 1.181 20 5 CDBDLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)cc([N+](=O)[O-])c1C ZINC000359484623 158261241 /nfs/dbraw/zinc/26/12/41/158261241.db2.gz QKUDJRMIVLNSSB-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)cc([N+](=O)[O-])c1C ZINC000359484623 158261244 /nfs/dbraw/zinc/26/12/44/158261244.db2.gz QKUDJRMIVLNSSB-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO C[C@@H](c1nnnn1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285167567 196212512 /nfs/dbraw/zinc/21/25/12/196212512.db2.gz AXCQAGPLVVBNFX-JTQLQIEISA-N 1 2 290.327 1.354 20 5 CDBDLO C[C@@H](c1nnnn1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285167567 196212514 /nfs/dbraw/zinc/21/25/14/196212514.db2.gz AXCQAGPLVVBNFX-JTQLQIEISA-N 1 2 290.327 1.354 20 5 CDBDLO CSc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000070991737 176020204 /nfs/dbraw/zinc/02/02/04/176020204.db2.gz WGZWLGDZDCPHIM-UHFFFAOYSA-N 1 2 292.320 1.970 20 5 CDBDLO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440968504 279236234 /nfs/dbraw/zinc/23/62/34/279236234.db2.gz WBRBMFLSFIRTHB-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440968504 279236236 /nfs/dbraw/zinc/23/62/36/279236236.db2.gz WBRBMFLSFIRTHB-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO O=C(NCCCF)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154164667 289196771 /nfs/dbraw/zinc/19/67/71/289196771.db2.gz WETSKMWCYNHHNM-UHFFFAOYSA-N 1 2 292.270 1.870 20 5 CDBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000347304339 316049138 /nfs/dbraw/zinc/04/91/38/316049138.db2.gz NVIUGNFBWQNGRT-UDGJJRABSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000347304339 316049145 /nfs/dbraw/zinc/04/91/45/316049145.db2.gz NVIUGNFBWQNGRT-UDGJJRABSA-N 1 2 292.335 1.690 20 5 CDBDLO Cc1ccn(CCCn2cc[nH+]c2)c(=O)c1[N+](=O)[O-] ZINC000354318195 525600948 /nfs/dbraw/zinc/60/09/48/525600948.db2.gz UJAQITXZROXXNX-UHFFFAOYSA-N 1 2 262.269 1.352 20 5 CDBDLO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581198 526571901 /nfs/dbraw/zinc/57/19/01/526571901.db2.gz PVMWRHKTPIKWHZ-VIFPVBQESA-N 1 2 279.296 1.629 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338586064 527348765 /nfs/dbraw/zinc/34/87/65/527348765.db2.gz XGHXKHAYMNCNQN-LBPRGKRZSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338586064 527348771 /nfs/dbraw/zinc/34/87/71/527348771.db2.gz XGHXKHAYMNCNQN-LBPRGKRZSA-N 1 2 254.261 1.501 20 5 CDBDLO Cc1nn(C[N@H+]2CCCOC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000772826358 575757181 /nfs/dbraw/zinc/75/71/81/575757181.db2.gz YBSDEMZLYJIIRY-VIFPVBQESA-N 1 2 268.317 1.476 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCOC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000772826358 575757182 /nfs/dbraw/zinc/75/71/82/575757182.db2.gz YBSDEMZLYJIIRY-VIFPVBQESA-N 1 2 268.317 1.476 20 5 CDBDLO CCOC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000760920945 576525388 /nfs/dbraw/zinc/52/53/88/576525388.db2.gz YGAPCFPZMYTVJT-LLVKDONJSA-N 1 2 298.343 1.359 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895246641 619492313 /nfs/dbraw/zinc/49/23/13/619492313.db2.gz OOTRGYCENRVFSG-WCQYABFASA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895246641 619492315 /nfs/dbraw/zinc/49/23/15/619492315.db2.gz OOTRGYCENRVFSG-WCQYABFASA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1noc(C[N@H+]2CCOC[C@H](C)C2)c1[N+](=O)[O-] ZINC000851866535 736483825 /nfs/dbraw/zinc/48/38/25/736483825.db2.gz RDEICNPLGOONSI-MRVPVSSYSA-N 1 2 255.274 1.360 20 5 CDBDLO Cc1noc(C[N@@H+]2CCOC[C@H](C)C2)c1[N+](=O)[O-] ZINC000851866535 736483832 /nfs/dbraw/zinc/48/38/32/736483832.db2.gz RDEICNPLGOONSI-MRVPVSSYSA-N 1 2 255.274 1.360 20 5 CDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ccsc1=O ZINC000800865761 737086206 /nfs/dbraw/zinc/08/62/06/737086206.db2.gz JQBUTDLWDYBRJY-UHFFFAOYSA-N 1 2 293.348 1.950 20 5 CDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ccsc1=O ZINC000800865761 737086213 /nfs/dbraw/zinc/08/62/13/737086213.db2.gz JQBUTDLWDYBRJY-UHFFFAOYSA-N 1 2 293.348 1.950 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000041063097 737255637 /nfs/dbraw/zinc/25/56/37/737255637.db2.gz ZYKNKAGDBKDTFM-UHFFFAOYSA-N 1 2 294.698 1.875 20 5 CDBDLO COC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000931330287 737849054 /nfs/dbraw/zinc/84/90/54/737849054.db2.gz FBXHDAQGCXDBSV-GFCCVEGCSA-N 1 2 264.281 1.036 20 5 CDBDLO COC(=O)[C@@H]1C[N@@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000931330287 737849055 /nfs/dbraw/zinc/84/90/55/737849055.db2.gz FBXHDAQGCXDBSV-GFCCVEGCSA-N 1 2 264.281 1.036 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nncn1C ZINC000788586560 738266035 /nfs/dbraw/zinc/26/60/35/738266035.db2.gz DDERRIPWHSJCST-DTWKUNHWSA-N 1 2 290.327 1.717 20 5 CDBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886286028 738229967 /nfs/dbraw/zinc/22/99/67/738229967.db2.gz ZLYQUVBPRJXFNV-PHIMTYICSA-N 1 2 279.296 1.373 20 5 CDBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886286028 738229976 /nfs/dbraw/zinc/22/99/76/738229976.db2.gz ZLYQUVBPRJXFNV-PHIMTYICSA-N 1 2 279.296 1.373 20 5 CDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000852432918 738305102 /nfs/dbraw/zinc/30/51/02/738305102.db2.gz QONRWPVVCSDFRZ-SNVBAGLBSA-N 1 2 297.336 1.683 20 5 CDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000852432918 738305107 /nfs/dbraw/zinc/30/51/07/738305107.db2.gz QONRWPVVCSDFRZ-SNVBAGLBSA-N 1 2 297.336 1.683 20 5 CDBDLO Cc1[nH+]ccn1CC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000776858680 928523001 /nfs/dbraw/zinc/52/30/01/928523001.db2.gz HGHOGAQAXVKRHE-UHFFFAOYSA-N 1 2 288.263 1.056 20 5 CDBDLO COCCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000863270143 929527019 /nfs/dbraw/zinc/52/70/19/929527019.db2.gz YEHWSMZFGIYNNB-UHFFFAOYSA-N 1 2 282.344 1.806 20 5 CDBDLO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001116398183 937445868 /nfs/dbraw/zinc/44/58/68/937445868.db2.gz PGJRDCNLCVDAKR-LLVKDONJSA-N 1 2 288.307 1.711 20 5 CDBDLO CC(C)n1c[nH+]cc1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001161564737 938913683 /nfs/dbraw/zinc/91/36/83/938913683.db2.gz DCCFTDXZGDRRFC-UHFFFAOYSA-N 1 2 276.300 1.962 20 5 CDBDLO Nc1ccnc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000311449652 941327500 /nfs/dbraw/zinc/32/75/00/941327500.db2.gz IUBVKEJPYIOUOQ-UHFFFAOYSA-N 1 2 262.273 1.271 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000316272675 941478470 /nfs/dbraw/zinc/47/84/70/941478470.db2.gz GVCNDMJXUMUBNH-JOYOIKCWSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000316272675 941478472 /nfs/dbraw/zinc/47/84/72/941478472.db2.gz GVCNDMJXUMUBNH-JOYOIKCWSA-N 1 2 286.715 1.033 20 5 CDBDLO COc1cc(OC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001225440884 941859806 /nfs/dbraw/zinc/85/98/06/941859806.db2.gz JEOOKWAYLJIMAL-LLVKDONJSA-N 1 2 282.296 1.313 20 5 CDBDLO COc1cc(OC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001225440884 941859809 /nfs/dbraw/zinc/85/98/09/941859809.db2.gz JEOOKWAYLJIMAL-LLVKDONJSA-N 1 2 282.296 1.313 20 5 CDBDLO COC(=O)c1cc(OC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228767947 942372660 /nfs/dbraw/zinc/37/26/60/942372660.db2.gz GBTWHEBJROALKM-UHFFFAOYSA-N 1 2 294.307 1.853 20 5 CDBDLO COC(=O)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254585818 947539559 /nfs/dbraw/zinc/53/95/59/947539559.db2.gz XESWUAHFIHVNFI-TZMCWYRMSA-N 1 2 290.319 1.603 20 5 CDBDLO COC[C@H]1COCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612403 947555585 /nfs/dbraw/zinc/55/55/85/947555585.db2.gz VZKXEALAMOGROA-CABCVRRESA-N 1 2 292.335 1.409 20 5 CDBDLO COC[C@H]1COCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612403 947555597 /nfs/dbraw/zinc/55/55/97/947555597.db2.gz VZKXEALAMOGROA-CABCVRRESA-N 1 2 292.335 1.409 20 5 CDBDLO CCN(OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001303822704 956124403 /nfs/dbraw/zinc/12/44/03/956124403.db2.gz DGUQATOKHLURNF-UHFFFAOYSA-N 1 2 290.279 1.804 20 5 CDBDLO CC(C)N1CC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001319938637 958802986 /nfs/dbraw/zinc/80/29/86/958802986.db2.gz JWZMATNFFQLWBH-CQSZACIVSA-N 1 2 289.335 1.920 20 5 CDBDLO CC(C)N1CC[C@@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001319938637 958802996 /nfs/dbraw/zinc/80/29/96/958802996.db2.gz JWZMATNFFQLWBH-CQSZACIVSA-N 1 2 289.335 1.920 20 5 CDBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1CN(C)CC[N@@H+]1C ZINC001337266815 961068833 /nfs/dbraw/zinc/06/88/33/961068833.db2.gz GEKXHOUGOWEJBW-VHSXEESVSA-N 1 2 284.385 1.703 20 5 CDBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1CN(C)CC[N@H+]1C ZINC001337266815 961068856 /nfs/dbraw/zinc/06/88/56/961068856.db2.gz GEKXHOUGOWEJBW-VHSXEESVSA-N 1 2 284.385 1.703 20 5 CDBDLO CN(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001346226930 964996358 /nfs/dbraw/zinc/99/63/58/964996358.db2.gz YPHFELJUMRXQQP-GFCCVEGCSA-N 1 2 271.748 1.809 20 5 CDBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000601191768 342488453 /nfs/dbraw/zinc/48/84/53/342488453.db2.gz NKOYBEOQGCAGPW-QMMMGPOBSA-N 1 2 262.273 1.774 20 5 CDBDLO Cc1nn(C)c(Nc2c[nH+]cc(N(C)C)c2)c1[N+](=O)[O-] ZINC000601214211 342508524 /nfs/dbraw/zinc/50/85/24/342508524.db2.gz SZXQJTZIVAHWTR-UHFFFAOYSA-N 1 2 276.300 1.841 20 5 CDBDLO Cc1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000594052424 342872659 /nfs/dbraw/zinc/87/26/59/342872659.db2.gz HJAQVIJJSCFIHL-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000594052424 342872660 /nfs/dbraw/zinc/87/26/60/342872660.db2.gz HJAQVIJJSCFIHL-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000595297930 343027474 /nfs/dbraw/zinc/02/74/74/343027474.db2.gz LAZNJMLCRNTMKO-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000595297930 343027475 /nfs/dbraw/zinc/02/74/75/343027475.db2.gz LAZNJMLCRNTMKO-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO Cc1noc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465930 343071198 /nfs/dbraw/zinc/07/11/98/343071198.db2.gz GKUHSFAIQARFHA-ZANVPECISA-N 1 2 297.311 1.271 20 5 CDBDLO Cc1noc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465930 343071201 /nfs/dbraw/zinc/07/12/01/343071201.db2.gz GKUHSFAIQARFHA-ZANVPECISA-N 1 2 297.311 1.271 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH+]1CCOCC1 ZINC000076664396 342322956 /nfs/dbraw/zinc/32/29/56/342322956.db2.gz QEOJNQCLGFLODG-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1CN1CCn2c[nH+]cc2C1 ZINC000595489364 343075847 /nfs/dbraw/zinc/07/58/47/343075847.db2.gz HWUQODZOPYBSRM-UHFFFAOYSA-N 1 2 276.271 1.946 20 5 CDBDLO O=c1[nH]ccc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000596184004 343251001 /nfs/dbraw/zinc/25/10/01/343251001.db2.gz CWDZMIDENSHOCM-UHFFFAOYSA-N 1 2 277.284 1.784 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596246396 343286248 /nfs/dbraw/zinc/28/62/48/343286248.db2.gz DJJSOTDMKRJINR-LBPRGKRZSA-N 1 2 292.339 1.291 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1SCC[NH+]1CCOCC1 ZINC000092584546 342418040 /nfs/dbraw/zinc/41/80/40/342418040.db2.gz FIWILXBTFJNNHJ-UHFFFAOYSA-N 1 2 283.353 1.723 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451118619 362403398 /nfs/dbraw/zinc/40/33/98/362403398.db2.gz YLDMITWMJOEVFT-NSHDSACASA-N 1 2 256.281 1.652 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@](C)(F)C1 ZINC000451118619 362403403 /nfs/dbraw/zinc/40/34/03/362403403.db2.gz YLDMITWMJOEVFT-NSHDSACASA-N 1 2 256.281 1.652 20 5 CDBDLO Cc1ccnc(N2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000609669992 345988696 /nfs/dbraw/zinc/98/86/96/345988696.db2.gz GZQHVZDNXSNUOF-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO CC(C)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862956 348798373 /nfs/dbraw/zinc/79/83/73/348798373.db2.gz ASZMACOLELCOLP-UHFFFAOYSA-N 1 2 279.340 1.893 20 5 CDBDLO CC(C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862956 348798377 /nfs/dbraw/zinc/79/83/77/348798377.db2.gz ASZMACOLELCOLP-UHFFFAOYSA-N 1 2 279.340 1.893 20 5 CDBDLO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000057223213 348833965 /nfs/dbraw/zinc/83/39/65/348833965.db2.gz WQNPNTWJVJMZMG-MWLCHTKSSA-N 1 2 287.279 1.179 20 5 CDBDLO CN(C)c1cc[nH+]c(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000619790249 350850592 /nfs/dbraw/zinc/85/05/92/350850592.db2.gz GADMTSCVOVRWAK-UHFFFAOYSA-N 1 2 276.256 1.031 20 5 CDBDLO COc1cccc(N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134912402 356461290 /nfs/dbraw/zinc/46/12/90/356461290.db2.gz QQAJBMVJZBQHGD-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979246 357178779 /nfs/dbraw/zinc/17/87/79/357178779.db2.gz UCNPYSOBHZGLQU-UHFFFAOYSA-N 1 2 290.279 1.599 20 5 CDBDLO Cc1c(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000048556266 357189915 /nfs/dbraw/zinc/18/99/15/357189915.db2.gz PJMRVFGFYYWDFA-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1c(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000048556266 357189920 /nfs/dbraw/zinc/18/99/20/357189920.db2.gz PJMRVFGFYYWDFA-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO C[C@H](CF)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360607093 357594998 /nfs/dbraw/zinc/59/49/98/357594998.db2.gz JIHUZNKWIXDQPP-SECBINFHSA-N 1 2 292.270 1.868 20 5 CDBDLO CC(C)[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1[nH]cc[nH+]1 ZINC000291178160 358887993 /nfs/dbraw/zinc/88/79/93/358887993.db2.gz ROZWLJWRAIFNNZ-MRVPVSSYSA-N 1 2 264.289 1.861 20 5 CDBDLO C[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCOCC1 ZINC000104590994 358959667 /nfs/dbraw/zinc/95/96/67/358959667.db2.gz VAMXJGNMAHKVSL-VHSXEESVSA-N 1 2 297.311 1.027 20 5 CDBDLO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262024183 359124241 /nfs/dbraw/zinc/12/42/41/359124241.db2.gz ATLBNNKXMZUDLV-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000340223661 359612564 /nfs/dbraw/zinc/61/25/64/359612564.db2.gz YSNZPRIFPLPPNX-JTQLQIEISA-N 1 2 283.715 1.569 20 5 CDBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000340223661 359612569 /nfs/dbraw/zinc/61/25/69/359612569.db2.gz YSNZPRIFPLPPNX-JTQLQIEISA-N 1 2 283.715 1.569 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2)n1 ZINC000166708717 360232672 /nfs/dbraw/zinc/23/26/72/360232672.db2.gz KYUHNXNFMXSQHG-UHFFFAOYSA-N 1 2 291.267 1.085 20 5 CDBDLO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272344802 367684231 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CCc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000282497272 375090656 /nfs/dbraw/zinc/09/06/56/375090656.db2.gz QNDKXFWWIZWLAL-UHFFFAOYSA-N 1 2 289.339 1.950 20 5 CDBDLO Cc1c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000282123488 375067301 /nfs/dbraw/zinc/06/73/01/375067301.db2.gz JQADSUZHYJWYLO-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1c(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000282123488 375067307 /nfs/dbraw/zinc/06/73/07/375067307.db2.gz JQADSUZHYJWYLO-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000058434924 375757649 /nfs/dbraw/zinc/75/76/49/375757649.db2.gz QKZLNIXEDGXHOQ-SNVBAGLBSA-N 1 2 269.276 1.476 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000058434924 375757655 /nfs/dbraw/zinc/75/76/55/375757655.db2.gz QKZLNIXEDGXHOQ-SNVBAGLBSA-N 1 2 269.276 1.476 20 5 CDBDLO CCOC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296347708 375832889 /nfs/dbraw/zinc/83/28/89/375832889.db2.gz UQZHBWDLUQYDNE-NSHDSACASA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1[nH]cc[nH+]1 ZINC000141013482 377232890 /nfs/dbraw/zinc/23/28/90/377232890.db2.gz FPMDIEQPLZPMMU-ZCFIWIBFSA-N 1 2 250.214 1.402 20 5 CDBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000269996592 377822630 /nfs/dbraw/zinc/82/26/30/377822630.db2.gz QMBVDRHSFKJFQI-UHFFFAOYSA-N 1 2 274.284 1.325 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000547805259 377838578 /nfs/dbraw/zinc/83/85/78/377838578.db2.gz QWXPSVGZDKGWQY-UHFFFAOYSA-N 1 2 280.309 1.362 20 5 CDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000491883406 253112362 /nfs/dbraw/zinc/11/23/62/253112362.db2.gz GXWGIWBZDHYELX-SNAWJCMRSA-N 1 2 298.302 1.888 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c2nonc21 ZINC000290744742 285132543 /nfs/dbraw/zinc/13/25/43/285132543.db2.gz RWTDHUVXYNUWRJ-UHFFFAOYSA-N 1 2 286.251 1.348 20 5 CDBDLO CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1[nH]cc[nH+]1 ZINC000288271438 197040990 /nfs/dbraw/zinc/04/09/90/197040990.db2.gz XDLYWWKUXDWWLF-SECBINFHSA-N 1 2 278.272 1.168 20 5 CDBDLO Cc1cccc(C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000035352068 391212264 /nfs/dbraw/zinc/21/22/64/391212264.db2.gz IHRPPXXFWGLAHR-UHFFFAOYSA-N 1 2 263.297 1.291 20 5 CDBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]1 ZINC000592248430 392097238 /nfs/dbraw/zinc/09/72/38/392097238.db2.gz ZOSGZYINQKJKGI-LLVKDONJSA-N 1 2 293.323 1.370 20 5 CDBDLO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000262275128 131207646 /nfs/dbraw/zinc/20/76/46/131207646.db2.gz WICVNPMFJIIGOK-SECBINFHSA-N 1 2 293.323 1.500 20 5 CDBDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459785887 392506505 /nfs/dbraw/zinc/50/65/05/392506505.db2.gz AMSSLIQQUNNWQV-NWDGAFQWSA-N 1 2 288.250 1.376 20 5 CDBDLO Cc1nn(C)c(NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000265144982 131554336 /nfs/dbraw/zinc/55/43/36/131554336.db2.gz RJAJFIWNVZVEIM-VIFPVBQESA-N 1 2 278.316 1.581 20 5 CDBDLO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449703819 393139809 /nfs/dbraw/zinc/13/98/09/393139809.db2.gz GOYMKSILUVXFQS-LBPRGKRZSA-N 1 2 293.323 1.418 20 5 CDBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000330685023 393144915 /nfs/dbraw/zinc/14/49/15/393144915.db2.gz KXVAKSOMPIUIGC-TVQRCGJNSA-N 1 2 266.297 1.958 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000230012958 140206305 /nfs/dbraw/zinc/20/63/05/140206305.db2.gz HQCIDUQILVUXDN-GWCFXTLKSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000230012958 140206307 /nfs/dbraw/zinc/20/63/07/140206307.db2.gz HQCIDUQILVUXDN-GWCFXTLKSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC[NH2+]1 ZINC000235391009 140234258 /nfs/dbraw/zinc/23/42/58/140234258.db2.gz LTGPAUUIYOUCOI-ZDUSSCGKSA-N 1 2 279.296 1.771 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346457522 153195526 /nfs/dbraw/zinc/19/55/26/153195526.db2.gz OTQXLZOYJRIFOC-NEPJUHHUSA-N 1 2 289.335 1.962 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346457522 153195527 /nfs/dbraw/zinc/19/55/27/153195527.db2.gz OTQXLZOYJRIFOC-NEPJUHHUSA-N 1 2 289.335 1.962 20 5 CDBDLO CCc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000359113213 158129127 /nfs/dbraw/zinc/12/91/27/158129127.db2.gz DJVOONSGIYVLHW-UHFFFAOYSA-N 1 2 274.280 1.810 20 5 CDBDLO CCc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000359113213 158129130 /nfs/dbraw/zinc/12/91/30/158129130.db2.gz DJVOONSGIYVLHW-UHFFFAOYSA-N 1 2 274.280 1.810 20 5 CDBDLO Cc1cccc(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000006524549 170209854 /nfs/dbraw/zinc/20/98/54/170209854.db2.gz NRXNJMYWQOVFHV-UHFFFAOYSA-N 1 2 288.307 1.920 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncc[nH]1 ZINC000285299185 196244287 /nfs/dbraw/zinc/24/42/87/196244287.db2.gz LAPWZBXJLBWIJC-UHFFFAOYSA-N 1 2 260.297 1.992 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncc[nH]1 ZINC000285299185 196244289 /nfs/dbraw/zinc/24/42/89/196244289.db2.gz LAPWZBXJLBWIJC-UHFFFAOYSA-N 1 2 260.297 1.992 20 5 CDBDLO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000044498278 175184861 /nfs/dbraw/zinc/18/48/61/175184861.db2.gz VQLVPHKBPUBRLM-VIFPVBQESA-N 1 2 299.352 1.107 20 5 CDBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000522189253 281091701 /nfs/dbraw/zinc/09/17/01/281091701.db2.gz SZLRJHYNJNDVMB-UHFFFAOYSA-N 1 2 277.284 1.330 20 5 CDBDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000547298563 289762243 /nfs/dbraw/zinc/76/22/43/289762243.db2.gz ROTXFVZNGGPAMG-ZDUSSCGKSA-N 1 2 296.323 1.761 20 5 CDBDLO CCn1ncnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583641401 325214958 /nfs/dbraw/zinc/21/49/58/325214958.db2.gz OSHSFIXZHGWJPP-GFCCVEGCSA-N 1 2 287.323 1.983 20 5 CDBDLO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657682 533945406 /nfs/dbraw/zinc/94/54/06/533945406.db2.gz IUIVKPJGXWBSIO-GWCFXTLKSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657682 533945415 /nfs/dbraw/zinc/94/54/15/533945415.db2.gz IUIVKPJGXWBSIO-GWCFXTLKSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067387011 525128049 /nfs/dbraw/zinc/12/80/49/525128049.db2.gz YPNFPFWVHIVBQC-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067387011 525128055 /nfs/dbraw/zinc/12/80/55/525128055.db2.gz YPNFPFWVHIVBQC-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC[NH2+]C1 ZINC000235708750 525218020 /nfs/dbraw/zinc/21/80/20/525218020.db2.gz DTEUMTKNPNMNEY-ZDUSSCGKSA-N 1 2 279.296 1.629 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761080665 576544691 /nfs/dbraw/zinc/54/46/91/576544691.db2.gz VCQDYLNMKLOCOV-LBPRGKRZSA-N 1 2 279.340 1.610 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761080665 576544692 /nfs/dbraw/zinc/54/46/92/576544692.db2.gz VCQDYLNMKLOCOV-LBPRGKRZSA-N 1 2 279.340 1.610 20 5 CDBDLO CC(C)C1(O)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773893129 575843845 /nfs/dbraw/zinc/84/38/45/575843845.db2.gz LGQLNHQMAJIIQS-CYBMUJFWSA-N 1 2 280.324 1.331 20 5 CDBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000765146147 575989203 /nfs/dbraw/zinc/98/92/03/575989203.db2.gz IBMNBIILIMGIDD-UHFFFAOYSA-N 1 2 260.244 1.726 20 5 CDBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000759161281 577156026 /nfs/dbraw/zinc/15/60/26/577156026.db2.gz UFUGYEZCWVMRKR-CYBMUJFWSA-N 1 2 290.327 1.628 20 5 CDBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000759161281 577156028 /nfs/dbraw/zinc/15/60/28/577156028.db2.gz UFUGYEZCWVMRKR-CYBMUJFWSA-N 1 2 290.327 1.628 20 5 CDBDLO COc1cc([N+](=O)[O-])cnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000891784105 617588574 /nfs/dbraw/zinc/58/85/74/617588574.db2.gz SETVRQGESXVYNS-SECBINFHSA-N 1 2 277.284 1.696 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000895802399 619852283 /nfs/dbraw/zinc/85/22/83/619852283.db2.gz RVOMMICMGZNPCW-LBPRGKRZSA-N 1 2 294.355 1.700 20 5 CDBDLO Cc1noc(COC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1[N+](=O)[O-] ZINC000923892389 621670153 /nfs/dbraw/zinc/67/01/53/621670153.db2.gz WWUPGJLKNQVPPK-JTQLQIEISA-N 1 2 297.311 1.807 20 5 CDBDLO Cc1noc(COC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000923892389 621670156 /nfs/dbraw/zinc/67/01/56/621670156.db2.gz WWUPGJLKNQVPPK-JTQLQIEISA-N 1 2 297.311 1.807 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H]3CO)c2)cc1 ZINC000902634123 625069862 /nfs/dbraw/zinc/06/98/62/625069862.db2.gz ZULDQSYPUCFUIU-AWEZNQCLSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H]3CO)c2)cc1 ZINC000902634123 625069863 /nfs/dbraw/zinc/06/98/63/625069863.db2.gz ZULDQSYPUCFUIU-AWEZNQCLSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931997625 739803533 /nfs/dbraw/zinc/80/35/33/739803533.db2.gz LPIRDUIQHZEXHG-SNVBAGLBSA-N 1 2 294.307 1.495 20 5 CDBDLO C[N@H+](CCc1nccs1)Cn1nccc1[N+](=O)[O-] ZINC000157161425 740565245 /nfs/dbraw/zinc/56/52/45/740565245.db2.gz CFJQXIJZFLXXJY-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO C[N@@H+](CCc1nccs1)Cn1nccc1[N+](=O)[O-] ZINC000157161425 740565248 /nfs/dbraw/zinc/56/52/48/740565248.db2.gz CFJQXIJZFLXXJY-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO CC(C)[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000173481493 740728419 /nfs/dbraw/zinc/72/84/19/740728419.db2.gz UJZMGOVADDBQPT-JTQLQIEISA-N 1 2 270.358 1.822 20 5 CDBDLO CC(C)[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000173481493 740728425 /nfs/dbraw/zinc/72/84/25/740728425.db2.gz UJZMGOVADDBQPT-JTQLQIEISA-N 1 2 270.358 1.822 20 5 CDBDLO C[N@@H+](Cc1ccon1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583971 741055440 /nfs/dbraw/zinc/05/54/40/741055440.db2.gz HVQPBKNDWRGWLC-ZDUSSCGKSA-N 1 2 277.280 1.748 20 5 CDBDLO C[N@H+](Cc1ccon1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583971 741055442 /nfs/dbraw/zinc/05/54/42/741055442.db2.gz HVQPBKNDWRGWLC-ZDUSSCGKSA-N 1 2 277.280 1.748 20 5 CDBDLO C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929245453 741466807 /nfs/dbraw/zinc/46/68/07/741466807.db2.gz VDHRUNQSHOAJTC-UHFFFAOYSA-N 1 2 289.129 1.781 20 5 CDBDLO C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929245453 741466813 /nfs/dbraw/zinc/46/68/13/741466813.db2.gz VDHRUNQSHOAJTC-UHFFFAOYSA-N 1 2 289.129 1.781 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(CO)CC2)cc1F ZINC000313648469 741918690 /nfs/dbraw/zinc/91/86/90/741918690.db2.gz YXFGCWFXVPKDRG-UHFFFAOYSA-N 1 2 284.287 1.053 20 5 CDBDLO Cc1nonc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785861766 739491543 /nfs/dbraw/zinc/49/15/43/739491543.db2.gz KDTZHURDNZHDMJ-UHFFFAOYSA-N 1 2 292.299 1.320 20 5 CDBDLO C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835468096 739508437 /nfs/dbraw/zinc/50/84/37/739508437.db2.gz YJUQEBYKARBKKX-NSHDSACASA-N 1 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/nfs/dbraw/zinc/35/43/42/742354342.db2.gz DHWDAXVNTGEBPK-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncon1 ZINC001254531702 936399203 /nfs/dbraw/zinc/39/92/03/936399203.db2.gz HEMGJUPNPMPLFA-VIFPVBQESA-N 1 2 262.269 1.699 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC001169129634 927743845 /nfs/dbraw/zinc/74/38/45/927743845.db2.gz AWZXENCZJKLTDH-HQJQHLMTSA-N 1 2 299.714 1.564 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(F)c2C)C[NH2+]1 ZINC001169137476 927751944 /nfs/dbraw/zinc/75/19/44/927751944.db2.gz YAZHWPRVKCVLIS-PELKAZGASA-N 1 2 297.286 1.358 20 5 CDBDLO CCc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001156537889 938380835 /nfs/dbraw/zinc/38/08/35/938380835.db2.gz BOKCXMOVIYITLR-UHFFFAOYSA-N 1 2 274.280 1.810 20 5 CDBDLO CCc1[nH]cc(CNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001156537889 938380837 /nfs/dbraw/zinc/38/08/37/938380837.db2.gz BOKCXMOVIYITLR-UHFFFAOYSA-N 1 2 274.280 1.810 20 5 CDBDLO CCN(c1ncc([N+](=O)[O-])cc1F)C1C[NH+](C)C1 ZINC001157455516 938494389 /nfs/dbraw/zinc/49/43/89/938494389.db2.gz NLNSZHABQXIYPN-UHFFFAOYSA-N 1 2 254.265 1.269 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233755468 943650096 /nfs/dbraw/zinc/65/00/96/943650096.db2.gz ZLBNDEBWHYPKFB-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233755468 943650098 /nfs/dbraw/zinc/65/00/98/943650098.db2.gz ZLBNDEBWHYPKFB-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCn3ncnc3C1)C2 ZINC001254595927 947546251 /nfs/dbraw/zinc/54/62/51/947546251.db2.gz AJJXWFCOABJPFF-ZDUSSCGKSA-N 1 2 285.307 1.169 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCn3ncnc3C1)C2 ZINC001254595927 947546260 /nfs/dbraw/zinc/54/62/60/947546260.db2.gz AJJXWFCOABJPFF-ZDUSSCGKSA-N 1 2 285.307 1.169 20 5 CDBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603282 947554439 /nfs/dbraw/zinc/55/44/39/947554439.db2.gz LOXZXYJUPOJIJN-HZMBPMFUSA-N 1 2 289.335 1.225 20 5 CDBDLO C[C@H]1C(=O)N(C)CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603282 947554450 /nfs/dbraw/zinc/55/44/50/947554450.db2.gz LOXZXYJUPOJIJN-HZMBPMFUSA-N 1 2 289.335 1.225 20 5 CDBDLO C[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC001326024133 954187359 /nfs/dbraw/zinc/18/73/59/954187359.db2.gz YWDCJEBWTVDNGK-SECBINFHSA-N 1 2 279.300 1.863 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1c(C)cncc1[N+](=O)[O-] ZINC001330114317 956282192 /nfs/dbraw/zinc/28/21/92/956282192.db2.gz HOYZZBZLXAVVTR-GFCCVEGCSA-N 1 2 294.355 1.243 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1c(C)cncc1[N+](=O)[O-] ZINC001330114317 956282200 /nfs/dbraw/zinc/28/22/00/956282200.db2.gz HOYZZBZLXAVVTR-GFCCVEGCSA-N 1 2 294.355 1.243 20 5 CDBDLO Cn1c[nH+]cc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340802298 963133801 /nfs/dbraw/zinc/13/38/01/963133801.db2.gz RILURRZYYOBDMP-UHFFFAOYSA-N 1 2 258.281 1.844 20 5 CDBDLO O=[N+]([O-])c1sccc1N1CC(n2cc[nH+]c2)C1 ZINC000601128854 342473776 /nfs/dbraw/zinc/47/37/76/342473776.db2.gz FAPNZPGJYPFBFW-UHFFFAOYSA-N 1 2 250.283 1.914 20 5 CDBDLO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590402317 342543811 /nfs/dbraw/zinc/54/38/11/342543811.db2.gz CQJQVRRBKCMQOQ-SKDRFNHKSA-N 1 2 293.323 1.465 20 5 CDBDLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000340582746 361853994 /nfs/dbraw/zinc/85/39/94/361853994.db2.gz BJDOUEJBDQTCMR-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000340582746 361854002 /nfs/dbraw/zinc/85/40/02/361854002.db2.gz BJDOUEJBDQTCMR-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO CC(C)(NC(=O)Cc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000593734090 342830583 /nfs/dbraw/zinc/83/05/83/342830583.db2.gz PTMWTRVNRPXJRU-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCC1 ZINC000600826071 342251831 /nfs/dbraw/zinc/25/18/31/342251831.db2.gz 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CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187610960 390860665 /nfs/dbraw/zinc/86/06/65/390860665.db2.gz HPQJVHIEQJXRKC-UHFFFAOYSA-N 1 2 295.339 1.762 20 5 CDBDLO CCN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1=O ZINC000495254879 391907287 /nfs/dbraw/zinc/90/72/87/391907287.db2.gz PRHVCUOABPYLBD-LBPRGKRZSA-N 1 2 291.351 1.956 20 5 CDBDLO CCN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1=O ZINC000495254879 391907292 /nfs/dbraw/zinc/90/72/92/391907292.db2.gz PRHVCUOABPYLBD-LBPRGKRZSA-N 1 2 291.351 1.956 20 5 CDBDLO CO[C@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000487997847 391944585 /nfs/dbraw/zinc/94/45/85/391944585.db2.gz GNSRNRUCTBEWTG-UWVGGRQHSA-N 1 2 272.326 1.502 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595402015 392564312 /nfs/dbraw/zinc/56/43/12/392564312.db2.gz RGKJDBKQXJYQSM-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595402015 392564316 /nfs/dbraw/zinc/56/43/16/392564316.db2.gz RGKJDBKQXJYQSM-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581615 140241467 /nfs/dbraw/zinc/24/14/67/140241467.db2.gz LWADUIPAEAKHSE-QMMMGPOBSA-N 1 2 265.269 1.381 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356081469 397607418 /nfs/dbraw/zinc/60/74/18/397607418.db2.gz INGWPBLNXWTSJG-UHFFFAOYSA-N 1 2 291.311 1.167 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356081469 397607420 /nfs/dbraw/zinc/60/74/20/397607420.db2.gz INGWPBLNXWTSJG-UHFFFAOYSA-N 1 2 291.311 1.167 20 5 CDBDLO COCC[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000349764325 154209355 /nfs/dbraw/zinc/20/93/55/154209355.db2.gz NBKZTWCJGRFJGO-UHFFFAOYSA-N 1 2 295.339 1.064 20 5 CDBDLO COCCC[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339110003 292342517 /nfs/dbraw/zinc/34/25/17/292342517.db2.gz DOCKKLIMFVSEIX-UHFFFAOYSA-N 1 2 284.312 1.131 20 5 CDBDLO COCCC[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339110003 292342519 /nfs/dbraw/zinc/34/25/19/292342519.db2.gz DOCKKLIMFVSEIX-UHFFFAOYSA-N 1 2 284.312 1.131 20 5 CDBDLO CCN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000190161081 279290791 /nfs/dbraw/zinc/29/07/91/279290791.db2.gz XBQPDLLBLMFSQW-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO CCN1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000190161081 279290792 /nfs/dbraw/zinc/29/07/92/279290792.db2.gz XBQPDLLBLMFSQW-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO Cc1c(C(=O)NCCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000134491466 279779806 /nfs/dbraw/zinc/77/98/06/279779806.db2.gz HOWQQIMWDAUWES-UHFFFAOYSA-N 1 2 274.280 1.599 20 5 CDBDLO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000106364607 289295846 /nfs/dbraw/zinc/29/58/46/289295846.db2.gz DETRBXBHQJDAPG-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO O=c1c([N+](=O)[O-])cc(Cl)cn1CCn1cc[nH+]c1 ZINC000158673698 289315226 /nfs/dbraw/zinc/31/52/26/289315226.db2.gz YHBYPIWBSPPDOP-UHFFFAOYSA-N 1 2 268.660 1.307 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015109021 303295180 /nfs/dbraw/zinc/29/51/80/303295180.db2.gz JOCWLYNARXMFRI-LBPRGKRZSA-N 1 2 263.297 1.435 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015109021 303295181 /nfs/dbraw/zinc/29/51/81/303295181.db2.gz JOCWLYNARXMFRI-LBPRGKRZSA-N 1 2 263.297 1.435 20 5 CDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH+]1 ZINC000566683572 316657746 /nfs/dbraw/zinc/65/77/46/316657746.db2.gz GAYBJMCUFDSZAY-UHFFFAOYSA-N 1 2 278.272 1.015 20 5 CDBDLO CNc1c(C(=O)NCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000161483297 522540410 /nfs/dbraw/zinc/54/04/10/522540410.db2.gz ORRRWBFYNLAWHH-UHFFFAOYSA-N 1 2 289.295 1.300 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000336955388 526460662 /nfs/dbraw/zinc/46/06/62/526460662.db2.gz YLHOYMJCKYUJSY-UHFFFAOYSA-N 1 2 299.290 1.772 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761069292 576540862 /nfs/dbraw/zinc/54/08/62/576540862.db2.gz JSLLPGLQWPLXAN-GFCCVEGCSA-N 1 2 279.340 1.610 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761069292 576540863 /nfs/dbraw/zinc/54/08/63/576540863.db2.gz JSLLPGLQWPLXAN-GFCCVEGCSA-N 1 2 279.340 1.610 20 5 CDBDLO Cn1cnnc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520321 576580537 /nfs/dbraw/zinc/58/05/37/576580537.db2.gz ADQIMNUHLJWTFI-UHFFFAOYSA-N 1 2 281.703 1.667 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCNC(=O)C1 ZINC000743844742 576657165 /nfs/dbraw/zinc/65/71/65/576657165.db2.gz VZTJLNLIOYCCKB-SNVBAGLBSA-N 1 2 263.297 1.478 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCNC(=O)C1 ZINC000743844742 576657166 /nfs/dbraw/zinc/65/71/66/576657166.db2.gz VZTJLNLIOYCCKB-SNVBAGLBSA-N 1 2 263.297 1.478 20 5 CDBDLO COCC1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895975128 619931001 /nfs/dbraw/zinc/93/10/01/619931001.db2.gz PETOMNAHGFJNRQ-UHFFFAOYSA-N 1 2 277.280 1.814 20 5 CDBDLO C[C@H](O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000792204627 752143176 /nfs/dbraw/zinc/14/31/76/752143176.db2.gz SQIMIAXESFMADQ-VIFPVBQESA-N 1 2 291.263 1.318 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000886300783 749754564 /nfs/dbraw/zinc/75/45/64/749754564.db2.gz PNCIUKCZKYGCIC-JGRMJRGVSA-N 1 2 295.364 1.475 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000886300783 749754575 /nfs/dbraw/zinc/75/45/75/749754575.db2.gz PNCIUKCZKYGCIC-JGRMJRGVSA-N 1 2 295.364 1.475 20 5 CDBDLO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000819366873 751019814 /nfs/dbraw/zinc/01/98/14/751019814.db2.gz ASMOUUWWFWNBFS-QPUJVOFHSA-N 1 2 294.336 1.831 20 5 CDBDLO CCOC1CC([N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000808212614 751313740 /nfs/dbraw/zinc/31/37/40/751313740.db2.gz SLQVHQCSPGFPPA-UHFFFAOYSA-N 1 2 254.290 1.248 20 5 CDBDLO CCOC1CC([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000808212614 751313746 /nfs/dbraw/zinc/31/37/46/751313746.db2.gz SLQVHQCSPGFPPA-UHFFFAOYSA-N 1 2 254.290 1.248 20 5 CDBDLO Cc1c(C[NH2+]Cc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000873011037 753365308 /nfs/dbraw/zinc/36/53/08/753365308.db2.gz QDTOCWGICCADOX-UHFFFAOYSA-N 1 2 287.323 1.731 20 5 CDBDLO [NH3+]Cc1nc(=O)[nH]n1-c1cc(Cl)ccc1C=C[N+](=O)[O-] ZINC001168761448 923277844 /nfs/dbraw/zinc/27/78/44/923277844.db2.gz PZTSBNHVWCLEHJ-ONEGZZNKSA-N 1 2 295.686 1.332 20 5 CDBDLO CC(C)c1nnc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169033603 927642323 /nfs/dbraw/zinc/64/23/23/927642323.db2.gz CHWNPOZXOGHFRV-NWDGAFQWSA-N 1 2 293.371 1.663 20 5 CDBDLO CC(C)c1nnc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169033603 927642328 /nfs/dbraw/zinc/64/23/28/927642328.db2.gz CHWNPOZXOGHFRV-NWDGAFQWSA-N 1 2 293.371 1.663 20 5 CDBDLO C[NH+](C)/C=C/c1cc(NC2CC(=O)C2)ncc1[N+](=O)[O-] ZINC001156619141 938395714 /nfs/dbraw/zinc/39/57/14/938395714.db2.gz ZQUOULUICGMNLT-ONEGZZNKSA-N 1 2 276.296 1.666 20 5 CDBDLO COc1cc(NCc2cc[nH+]c(N)c2)ncc1[N+](=O)[O-] ZINC001156756708 938414924 /nfs/dbraw/zinc/41/49/24/938414924.db2.gz DQXHEVJCVAUCKP-UHFFFAOYSA-N 1 2 275.268 1.588 20 5 CDBDLO Cc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001164488541 939478236 /nfs/dbraw/zinc/47/82/36/939478236.db2.gz GHLZWDRFYWEWJM-UHFFFAOYSA-N 1 2 272.255 1.343 20 5 CDBDLO COc1cc(N2CC[NH2+]CC(F)(F)C2)ncc1[N+](=O)[O-] ZINC001164493481 939478734 /nfs/dbraw/zinc/47/87/34/939478734.db2.gz YNRLIFNJGRDSDH-UHFFFAOYSA-N 1 2 288.254 1.043 20 5 CDBDLO COc1ccc(COC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001223650883 941689603 /nfs/dbraw/zinc/68/96/03/941689603.db2.gz NXCAITWUCDVDHO-UHFFFAOYSA-N 1 2 252.270 1.434 20 5 CDBDLO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001231262138 942839084 /nfs/dbraw/zinc/83/90/84/942839084.db2.gz DEPAIWAWPYOVTD-SECBINFHSA-N 1 2 290.279 1.594 20 5 CDBDLO COC(=O)c1ccc(OC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234051315 943727587 /nfs/dbraw/zinc/72/75/87/943727587.db2.gz OPZNYSXVQLQOQL-UHFFFAOYSA-N 1 2 294.307 1.853 20 5 CDBDLO COC[C@H]1COCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612404 947555201 /nfs/dbraw/zinc/55/52/01/947555201.db2.gz VZKXEALAMOGROA-GJZGRUSLSA-N 1 2 292.335 1.409 20 5 CDBDLO COC[C@H]1COCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612404 947555214 /nfs/dbraw/zinc/55/52/14/947555214.db2.gz VZKXEALAMOGROA-GJZGRUSLSA-N 1 2 292.335 1.409 20 5 CDBDLO Cc1[nH]c(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[nH+]c1C ZINC001307214688 956379903 /nfs/dbraw/zinc/37/99/03/956379903.db2.gz PSMVMSHETZEWGV-UHFFFAOYSA-N 1 2 289.295 1.646 20 5 CDBDLO C[NH+](C)CCONC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001330819214 956649397 /nfs/dbraw/zinc/64/93/97/956649397.db2.gz KRQYWHIENFOKEH-UHFFFAOYSA-N 1 2 295.339 1.482 20 5 CDBDLO Cc1nc(NCc2cc(N(C)C)cc[nH+]2)ncc1[N+](=O)[O-] ZINC001333838010 958642064 /nfs/dbraw/zinc/64/20/64/958642064.db2.gz HEWZJHQBIFDUJM-UHFFFAOYSA-N 1 2 288.311 1.766 20 5 CDBDLO COC(=O)c1cnc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000590568456 342576196 /nfs/dbraw/zinc/57/61/96/342576196.db2.gz SYCWKHVDOQFNOQ-SSDOTTSWSA-N 1 2 291.267 1.673 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029485 342087023 /nfs/dbraw/zinc/08/70/23/342087023.db2.gz REHJAPLZUFRYLP-UHFFFAOYSA-N 1 2 299.286 1.893 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000590781193 342594416 /nfs/dbraw/zinc/59/44/16/342594416.db2.gz VCUDNQFLSXECTL-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132948 342091672 /nfs/dbraw/zinc/09/16/72/342091672.db2.gz YLIXNNUVZWQEMG-SNVBAGLBSA-N 1 2 276.300 1.366 20 5 CDBDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093813430 361945316 /nfs/dbraw/zinc/94/53/16/361945316.db2.gz BQIRYCIQZOBBGO-AWEZNQCLSA-N 1 2 294.307 1.685 20 5 CDBDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093813430 361945323 /nfs/dbraw/zinc/94/53/23/361945323.db2.gz BQIRYCIQZOBBGO-AWEZNQCLSA-N 1 2 294.307 1.685 20 5 CDBDLO Cc1noc(C[N@H+](C)CCc2cnccn2)c1[N+](=O)[O-] ZINC000595410919 343051379 /nfs/dbraw/zinc/05/13/79/343051379.db2.gz VQFUUDRLZYGUHP-UHFFFAOYSA-N 1 2 277.284 1.356 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCc2cnccn2)c1[N+](=O)[O-] ZINC000595410919 343051380 /nfs/dbraw/zinc/05/13/80/343051380.db2.gz VQFUUDRLZYGUHP-UHFFFAOYSA-N 1 2 277.284 1.356 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1CN1CCn2c[nH+]cc2C1 ZINC000595493114 343076372 /nfs/dbraw/zinc/07/63/72/343076372.db2.gz CZXKDGFBWNSLTH-UHFFFAOYSA-N 1 2 276.271 1.946 20 5 CDBDLO CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000092546944 342417717 /nfs/dbraw/zinc/41/77/17/342417717.db2.gz LMYVHGISFVAUFB-GFCCVEGCSA-N 1 2 281.312 1.825 20 5 CDBDLO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436976659 362246635 /nfs/dbraw/zinc/24/66/35/362246635.db2.gz AHOQPXDJWDBNFK-UHFFFAOYSA-N 1 2 295.339 1.714 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1csnn1 ZINC000602844989 344622926 /nfs/dbraw/zinc/62/29/26/344622926.db2.gz WUVKILDTKGXEFN-SSDOTTSWSA-N 1 2 282.329 1.302 20 5 CDBDLO O=[N+]([O-])c1c(-n2c[nH+]c(CCCO)c2)nc2sccn21 ZINC000609494716 345050248 /nfs/dbraw/zinc/05/02/48/345050248.db2.gz LHJCAZLSMHUYJD-UHFFFAOYSA-N 1 2 293.308 1.415 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611413596 346780638 /nfs/dbraw/zinc/78/06/38/346780638.db2.gz GYUNMUKJYIUANY-SNVBAGLBSA-N 1 2 283.353 1.567 20 5 CDBDLO Cc1nn(C)c(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000036749319 362939290 /nfs/dbraw/zinc/93/92/90/362939290.db2.gz NXDPKIKCRHUWGP-UHFFFAOYSA-N 1 2 264.289 1.335 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093819939 351348765 /nfs/dbraw/zinc/34/87/65/351348765.db2.gz GXRRDMPBVZHTJW-CQSZACIVSA-N 1 2 278.308 1.913 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093819939 351348770 /nfs/dbraw/zinc/34/87/70/351348770.db2.gz GXRRDMPBVZHTJW-CQSZACIVSA-N 1 2 278.308 1.913 20 5 CDBDLO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153727811 188099972 /nfs/dbraw/zinc/09/99/72/188099972.db2.gz DEQKCQNXXIJULA-LLVKDONJSA-N 1 2 288.307 1.857 20 5 CDBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000154608143 188153778 /nfs/dbraw/zinc/15/37/78/188153778.db2.gz JZLZYBQWXSZNDU-UHFFFAOYSA-N 1 2 295.343 1.048 20 5 CDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000154608143 188153780 /nfs/dbraw/zinc/15/37/80/188153780.db2.gz JZLZYBQWXSZNDU-UHFFFAOYSA-N 1 2 295.343 1.048 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000164867719 356305232 /nfs/dbraw/zinc/30/52/32/356305232.db2.gz NUGJQBPQPXGZNH-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cn2)c[nH+]1 ZINC000273630151 192237892 /nfs/dbraw/zinc/23/78/92/192237892.db2.gz QDHFCSCDKYTBFF-UHFFFAOYSA-N 1 2 274.284 1.458 20 5 CDBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1[nH]cc[nH+]1 ZINC000070990460 357187237 /nfs/dbraw/zinc/18/72/37/357187237.db2.gz AJWQQSCRRGTKRG-UHFFFAOYSA-N 1 2 292.320 1.726 20 5 CDBDLO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]12 ZINC000186911281 357704531 /nfs/dbraw/zinc/70/45/31/357704531.db2.gz OJBXTDBTMUYVKS-GMTAPVOTSA-N 1 2 291.307 1.110 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](C)[NH+]1CCOCC1 ZINC000192451144 358204374 /nfs/dbraw/zinc/20/43/74/358204374.db2.gz IOOYHIXXSVJDQS-RKDXNWHRSA-N 1 2 286.357 1.572 20 5 CDBDLO COC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341637984 358756793 /nfs/dbraw/zinc/75/67/93/358756793.db2.gz KNXAILZCASIEPZ-GFCCVEGCSA-N 1 2 290.323 1.806 20 5 CDBDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1 ZINC000290945597 358789688 /nfs/dbraw/zinc/78/96/88/358789688.db2.gz PENQHEWOQWMCLU-UHFFFAOYSA-N 1 2 286.291 1.756 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1CO ZINC000338908358 359204100 /nfs/dbraw/zinc/20/41/00/359204100.db2.gz RREUBAVBIYPLJZ-LLVKDONJSA-N 1 2 266.297 1.647 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000338908358 359204105 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Cn1cnc([N+](=O)[O-])c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345689698 361398387 /nfs/dbraw/zinc/39/83/87/361398387.db2.gz JAIFURWJFFACHR-NSHDSACASA-N 1 2 289.295 1.381 20 5 CDBDLO Cc1cccc2[nH+]c(CNc3ncc([N+](=O)[O-])cn3)cn21 ZINC000302094043 201340535 /nfs/dbraw/zinc/34/05/35/201340535.db2.gz IEURXUXWYJEQBJ-UHFFFAOYSA-N 1 2 284.279 1.953 20 5 CDBDLO Cc1n[nH]c(C(=O)NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000456861695 364798940 /nfs/dbraw/zinc/79/89/40/364798940.db2.gz PDCNDLGYTDITRK-UHFFFAOYSA-N 1 2 289.295 1.568 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160401947 364994303 /nfs/dbraw/zinc/99/43/03/364994303.db2.gz OVZHVQBBSZDNOG-LBPRGKRZSA-N 1 2 292.339 1.291 20 5 CDBDLO COc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000279857216 367165911 /nfs/dbraw/zinc/16/59/11/367165911.db2.gz SGWUPDXUCQOOJZ-ZDUSSCGKSA-N 1 2 298.314 1.945 20 5 CDBDLO COc1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000279857216 367165914 /nfs/dbraw/zinc/16/59/14/367165914.db2.gz 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O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286930807 397994648 /nfs/dbraw/zinc/99/46/48/397994648.db2.gz NJMPAYUENODSJO-CYBMUJFWSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286930807 397994651 /nfs/dbraw/zinc/99/46/51/397994651.db2.gz NJMPAYUENODSJO-CYBMUJFWSA-N 1 2 268.288 1.891 20 5 CDBDLO Cc1nn(C)c(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000071899526 176293635 /nfs/dbraw/zinc/29/36/35/176293635.db2.gz UFOVKGPXDKGSSC-UHFFFAOYSA-N 1 2 290.327 1.675 20 5 CDBDLO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000045428733 423792429 /nfs/dbraw/zinc/79/24/29/423792429.db2.gz DHMXTCZIMMQFJN-UHFFFAOYSA-N 1 2 283.353 1.823 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000131496749 279678065 /nfs/dbraw/zinc/67/80/65/279678065.db2.gz UFONECXXWNXFMD-UHFFFAOYSA-N 1 2 291.267 1.142 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000131273477 280369969 /nfs/dbraw/zinc/36/99/69/280369969.db2.gz 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O=[N+]([O-])c1ccnn1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000768914392 576316827 /nfs/dbraw/zinc/31/68/27/576316827.db2.gz ZUOCSOZELARJAU-UHFFFAOYSA-N 1 2 296.327 1.020 20 5 CDBDLO Cc1cnc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000742430164 576602668 /nfs/dbraw/zinc/60/26/68/576602668.db2.gz ZYQBBYSIEAPVMH-UHFFFAOYSA-N 1 2 262.269 1.409 20 5 CDBDLO COC(=O)C(C)(C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096432 576975848 /nfs/dbraw/zinc/97/58/48/576975848.db2.gz OCJWUZLAOGTQLE-LBPRGKRZSA-N 1 2 296.323 1.512 20 5 CDBDLO COC(=O)C(C)(C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096432 576975849 /nfs/dbraw/zinc/97/58/49/576975849.db2.gz OCJWUZLAOGTQLE-LBPRGKRZSA-N 1 2 296.323 1.512 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000750720051 577001544 /nfs/dbraw/zinc/00/15/44/577001544.db2.gz LNKKXYYRXRSFIS-AWEZNQCLSA-N 1 2 288.307 1.410 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000750720051 577001545 /nfs/dbraw/zinc/00/15/45/577001545.db2.gz LNKKXYYRXRSFIS-AWEZNQCLSA-N 1 2 288.307 1.410 20 5 CDBDLO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000894427031 618881019 /nfs/dbraw/zinc/88/10/19/618881019.db2.gz FVSYCWOTBPNULB-GARJFASQSA-N 1 2 297.359 1.238 20 5 CDBDLO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000894427031 618881020 /nfs/dbraw/zinc/88/10/20/618881020.db2.gz FVSYCWOTBPNULB-GARJFASQSA-N 1 2 297.359 1.238 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC([NH+]2CCCC2)C1 ZINC000898616492 621817015 /nfs/dbraw/zinc/81/70/15/621817015.db2.gz LGPUSIVFANUYKW-UHFFFAOYSA-N 1 2 281.337 1.577 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000899872347 622502532 /nfs/dbraw/zinc/50/25/32/622502532.db2.gz ZJUDWONUNWJSHP-UHFFFAOYSA-N 1 2 286.335 1.727 20 5 CDBDLO CSCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000902392860 624757714 /nfs/dbraw/zinc/75/77/14/624757714.db2.gz KWEUSCQIWPFCFY-UHFFFAOYSA-N 1 2 270.358 1.824 20 5 CDBDLO O=[N+]([O-])CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000905280525 626735104 /nfs/dbraw/zinc/73/51/04/626735104.db2.gz QTGSYYWBDPIPOC-QMMMGPOBSA-N 1 2 260.215 1.958 20 5 CDBDLO COc1cc(C[N@H+](C)CC[N+](=O)[O-])cc(OC)c1 ZINC000929341162 753845502 /nfs/dbraw/zinc/84/55/02/753845502.db2.gz NNMQOBFTOKAONO-UHFFFAOYSA-N 1 2 254.286 1.412 20 5 CDBDLO COc1cc(C[N@@H+](C)CC[N+](=O)[O-])cc(OC)c1 ZINC000929341162 753845507 /nfs/dbraw/zinc/84/55/07/753845507.db2.gz NNMQOBFTOKAONO-UHFFFAOYSA-N 1 2 254.286 1.412 20 5 CDBDLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852288046 754079154 /nfs/dbraw/zinc/07/91/54/754079154.db2.gz JZPBKQQMCRYHBG-ZDUSSCGKSA-N 1 2 276.296 1.483 20 5 CDBDLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852288046 754079158 /nfs/dbraw/zinc/07/91/58/754079158.db2.gz JZPBKQQMCRYHBG-ZDUSSCGKSA-N 1 2 276.296 1.483 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2)c1C ZINC000887718171 754299228 /nfs/dbraw/zinc/29/92/28/754299228.db2.gz TXZNAVQQHVFOHF-UHFFFAOYSA-N 1 2 288.307 1.838 20 5 CDBDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000816890613 754517254 /nfs/dbraw/zinc/51/72/54/754517254.db2.gz QPPUPQWGLASRQG-VIFPVBQESA-N 1 2 274.280 1.738 20 5 CDBDLO CSC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000872627925 756673602 /nfs/dbraw/zinc/67/36/02/756673602.db2.gz MZVNSCCKXFOMMK-UHFFFAOYSA-N 1 2 270.358 1.885 20 5 CDBDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000851873635 756899586 /nfs/dbraw/zinc/89/95/86/756899586.db2.gz HEHHDOPQAZQYBK-LBPRGKRZSA-N 1 2 276.296 1.483 20 5 CDBDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000851873635 756899587 /nfs/dbraw/zinc/89/95/87/756899587.db2.gz HEHHDOPQAZQYBK-LBPRGKRZSA-N 1 2 276.296 1.483 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776279632 758604519 /nfs/dbraw/zinc/60/45/19/758604519.db2.gz WYWGAIYFLZFNJR-ZWNOBZJWSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776279632 758604533 /nfs/dbraw/zinc/60/45/33/758604533.db2.gz WYWGAIYFLZFNJR-ZWNOBZJWSA-N 1 2 266.297 1.349 20 5 CDBDLO O=C(CCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000110177829 758825367 /nfs/dbraw/zinc/82/53/67/758825367.db2.gz PHNZWCLFKQMRJV-UHFFFAOYSA-N 1 2 278.243 1.959 20 5 CDBDLO Cc1nc(Cl)nc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001156756011 938414434 /nfs/dbraw/zinc/41/44/34/938414434.db2.gz NSTVCWYKDLOFHR-UHFFFAOYSA-N 1 2 294.702 1.936 20 5 CDBDLO O=[N+]([O-])c1cc(F)cnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319687 938887858 /nfs/dbraw/zinc/88/78/58/938887858.db2.gz ZHDUJDNLPZLGIE-UHFFFAOYSA-N 1 2 289.270 1.825 20 5 CDBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCC[NH2+]C1 ZINC001218284377 941051867 /nfs/dbraw/zinc/05/18/67/941051867.db2.gz QRRLJIIHIWZIBY-MRVPVSSYSA-N 1 2 254.242 1.137 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCn1cc[nH+]c1)C2 ZINC001222128777 941568172 /nfs/dbraw/zinc/56/81/72/941568172.db2.gz FVQAFQXUZCOOJI-CQSZACIVSA-N 1 2 273.292 1.975 20 5 CDBDLO COCC[NH+]1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225620413 941889168 /nfs/dbraw/zinc/88/91/68/941889168.db2.gz QSDIYGXDODYDEO-UHFFFAOYSA-N 1 2 296.323 1.790 20 5 CDBDLO Cc1cccc(OC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001225635476 941892091 /nfs/dbraw/zinc/89/20/91/941892091.db2.gz HYGZXYDPFSOBAM-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cccc(OC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001225635476 941892096 /nfs/dbraw/zinc/89/20/96/941892096.db2.gz HYGZXYDPFSOBAM-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO C[C@H](C[N+](C)(C)C)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226785219 942070048 /nfs/dbraw/zinc/07/00/48/942070048.db2.gz LXYWOAWMJPJWHQ-SSDOTTSWSA-O 1 2 268.366 1.115 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001228836697 942382238 /nfs/dbraw/zinc/38/22/38/942382238.db2.gz BRLDTYJLMJKSQS-ZDUSSCGKSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001228836697 942382243 /nfs/dbraw/zinc/38/22/43/942382243.db2.gz BRLDTYJLMJKSQS-ZDUSSCGKSA-N 1 2 266.297 1.613 20 5 CDBDLO CC(C)[NH+]1CC(Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230593826 942651542 /nfs/dbraw/zinc/65/15/42/942651542.db2.gz BMXNLBHCLJIFBC-UHFFFAOYSA-N 1 2 276.296 1.943 20 5 CDBDLO COC(=O)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001254572473 947533160 /nfs/dbraw/zinc/53/31/60/947533160.db2.gz OMIFUJFNJACIIG-OCCSQVGLSA-N 1 2 292.335 1.849 20 5 CDBDLO CCn1c2ccccc2nc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001335897753 955081244 /nfs/dbraw/zinc/08/12/44/955081244.db2.gz ODAXXVNFDGOALC-JTQLQIEISA-N 1 2 262.313 1.984 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC001333159260 958116965 /nfs/dbraw/zinc/11/69/65/958116965.db2.gz PAKPTGFFRFSYMG-SNVBAGLBSA-N 1 2 265.317 1.138 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC001333159260 958116972 /nfs/dbraw/zinc/11/69/72/958116972.db2.gz PAKPTGFFRFSYMG-SNVBAGLBSA-N 1 2 265.317 1.138 20 5 CDBDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001348840116 966199931 /nfs/dbraw/zinc/19/99/31/966199931.db2.gz DLFAUPXWLIYPGS-LBPRGKRZSA-N 1 2 279.296 1.172 20 5 CDBDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001348840116 966199941 /nfs/dbraw/zinc/19/99/41/966199941.db2.gz DLFAUPXWLIYPGS-LBPRGKRZSA-N 1 2 279.296 1.172 20 5 CDBDLO CC[N@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000048041029 341999013 /nfs/dbraw/zinc/99/90/13/341999013.db2.gz JYVBKPLTRUVRMZ-UHFFFAOYSA-N 1 2 265.313 1.505 20 5 CDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000048041029 341999014 /nfs/dbraw/zinc/99/90/14/341999014.db2.gz JYVBKPLTRUVRMZ-UHFFFAOYSA-N 1 2 265.313 1.505 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131210 342091362 /nfs/dbraw/zinc/09/13/62/342091362.db2.gz KKJOEPOJRMQGJX-JTQLQIEISA-N 1 2 289.295 1.597 20 5 CDBDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000591138740 342618217 /nfs/dbraw/zinc/61/82/17/342618217.db2.gz FBDCDFIOOOFTNF-VIFPVBQESA-N 1 2 284.291 1.262 20 5 CDBDLO CCCC[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000048048276 342154035 /nfs/dbraw/zinc/15/40/35/342154035.db2.gz GJTATNWYVFYVGY-UHFFFAOYSA-N 1 2 265.313 1.682 20 5 CDBDLO CCCC[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000048048276 342154036 /nfs/dbraw/zinc/15/40/36/342154036.db2.gz GJTATNWYVFYVGY-UHFFFAOYSA-N 1 2 265.313 1.682 20 5 CDBDLO C[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070268802 361886843 /nfs/dbraw/zinc/88/68/43/361886843.db2.gz JGHDLNGBAOMHAN-UHFFFAOYSA-N 1 2 295.364 1.461 20 5 CDBDLO Cc1[nH]c(C(=O)NCCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000075158463 342309182 /nfs/dbraw/zinc/30/91/82/342309182.db2.gz SQNNPCMDLHPXKG-UHFFFAOYSA-N 1 2 274.280 1.599 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000595705696 343127696 /nfs/dbraw/zinc/12/76/96/343127696.db2.gz VFDWAWHPRYTWPB-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000595705696 343127698 /nfs/dbraw/zinc/12/76/98/343127698.db2.gz VFDWAWHPRYTWPB-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000436965728 362164658 /nfs/dbraw/zinc/16/46/58/362164658.db2.gz KDQXFQJGOMHFMV-NXEZZACHSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000436965728 362164663 /nfs/dbraw/zinc/16/46/63/362164663.db2.gz KDQXFQJGOMHFMV-NXEZZACHSA-N 1 2 293.323 1.513 20 5 CDBDLO CCc1nn(C)c(NC[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091454348 342403708 /nfs/dbraw/zinc/40/37/08/342403708.db2.gz BSQPPOGFPSOCGR-SNVBAGLBSA-N 1 2 292.343 1.835 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093360460 342427913 /nfs/dbraw/zinc/42/79/13/342427913.db2.gz ULUWSRDIFVQWCS-JTQLQIEISA-N 1 2 293.323 1.258 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093360460 342427914 /nfs/dbraw/zinc/42/79/14/342427914.db2.gz ULUWSRDIFVQWCS-JTQLQIEISA-N 1 2 293.323 1.258 20 5 CDBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c[nH+]1 ZINC000536574849 282325793 /nfs/dbraw/zinc/32/57/93/282325793.db2.gz HYFVBAWNOKMTCK-UHFFFAOYSA-N 1 2 261.237 1.874 20 5 CDBDLO CC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602763228 344584231 /nfs/dbraw/zinc/58/42/31/344584231.db2.gz OKZLEPYJBRZEHS-UHFFFAOYSA-N 1 2 263.297 1.306 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000602789729 344600943 /nfs/dbraw/zinc/60/09/43/344600943.db2.gz ZQVRUPMFQULIJY-JTQLQIEISA-N 1 2 298.343 1.372 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000602789729 344600944 /nfs/dbraw/zinc/60/09/44/344600944.db2.gz ZQVRUPMFQULIJY-JTQLQIEISA-N 1 2 298.343 1.372 20 5 CDBDLO CCN(CC)C(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000053064769 345629982 /nfs/dbraw/zinc/62/99/82/345629982.db2.gz WOESXXQXXNOKLO-UHFFFAOYSA-N 1 2 279.340 1.895 20 5 CDBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000053064769 345629985 /nfs/dbraw/zinc/62/99/85/345629985.db2.gz WOESXXQXXNOKLO-UHFFFAOYSA-N 1 2 279.340 1.895 20 5 CDBDLO C[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104693271 186014844 /nfs/dbraw/zinc/01/48/44/186014844.db2.gz WMLBWKBFPWGAJA-NSHDSACASA-N 1 2 293.323 1.184 20 5 CDBDLO C[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104693271 186014846 /nfs/dbraw/zinc/01/48/46/186014846.db2.gz WMLBWKBFPWGAJA-NSHDSACASA-N 1 2 293.323 1.184 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122717398 187047382 /nfs/dbraw/zinc/04/73/82/187047382.db2.gz BFZXJRKEGOMBJZ-VIFPVBQESA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122717398 187047383 /nfs/dbraw/zinc/04/73/83/187047383.db2.gz BFZXJRKEGOMBJZ-VIFPVBQESA-N 1 2 286.719 1.386 20 5 CDBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590762369 358512333 /nfs/dbraw/zinc/51/23/33/358512333.db2.gz WBOMUUSDAPOKCA-PRHODGIISA-N 1 2 276.296 1.426 20 5 CDBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590762369 358512335 /nfs/dbraw/zinc/51/23/35/358512335.db2.gz WBOMUUSDAPOKCA-PRHODGIISA-N 1 2 276.296 1.426 20 5 CDBDLO CCc1nn(C)c(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000566641493 358250860 /nfs/dbraw/zinc/25/08/60/358250860.db2.gz YYCWCLKXOBLFOA-UHFFFAOYSA-N 1 2 276.300 1.149 20 5 CDBDLO Cn1cnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193066304 358261958 /nfs/dbraw/zinc/26/19/58/358261958.db2.gz WZKMSHUCRBWXFP-ZDUSSCGKSA-N 1 2 287.323 1.891 20 5 CDBDLO CC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000058874725 358697885 /nfs/dbraw/zinc/69/78/85/358697885.db2.gz IHMQXWYBGNMVNF-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042393154 283396714 /nfs/dbraw/zinc/39/67/14/283396714.db2.gz PRODQWNGVIDOHK-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042393154 283396716 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C[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000149074089 364666821 /nfs/dbraw/zinc/66/68/21/364666821.db2.gz NUIVFIHOCNMCMZ-UHFFFAOYSA-N 1 2 283.715 1.636 20 5 CDBDLO Cc1[nH]nc(C(=O)Nc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000264280307 364863584 /nfs/dbraw/zinc/86/35/84/364863584.db2.gz UUJDZYSPGNTUBI-UHFFFAOYSA-N 1 2 290.283 1.340 20 5 CDBDLO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181964344 365059842 /nfs/dbraw/zinc/05/98/42/365059842.db2.gz ZNOUJMLZTBNEDK-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181964344 365059847 /nfs/dbraw/zinc/05/98/47/365059847.db2.gz ZNOUJMLZTBNEDK-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000270460419 366884235 /nfs/dbraw/zinc/88/42/35/366884235.db2.gz AAZIHVQEHDRTPQ-STQMWFEESA-N 1 2 293.323 1.010 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000270460419 366884238 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CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000895802236 619852417 /nfs/dbraw/zinc/85/24/17/619852417.db2.gz PSUSSMANRSFAFP-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1nccc(C)c1[N+](=O)[O-] ZINC000895804342 619853180 /nfs/dbraw/zinc/85/31/80/619853180.db2.gz KAMKVJCXTJFXSR-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001170344027 1162348211 /nfs/dbraw/zinc/34/82/11/1162348211.db2.gz AFRYYCCNBCIJBC-UHFFFAOYSA-N 1 2 294.286 1.743 20 5 CDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802014195 770881719 /nfs/dbraw/zinc/88/17/19/770881719.db2.gz JUDDLFGWBRGDSZ-STQMWFEESA-N 1 2 284.287 1.035 20 5 CDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802014195 770881721 /nfs/dbraw/zinc/88/17/21/770881721.db2.gz JUDDLFGWBRGDSZ-STQMWFEESA-N 1 2 284.287 1.035 20 5 CDBDLO CONC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000877786252 771072657 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C[C@@H]1CCN(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000840077792 772596596 /nfs/dbraw/zinc/59/65/96/772596596.db2.gz JJVJPBDBHSTIOW-GFCCVEGCSA-N 1 2 291.351 1.895 20 5 CDBDLO C[C@@H]1CCN(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000840077792 772596598 /nfs/dbraw/zinc/59/65/98/772596598.db2.gz JJVJPBDBHSTIOW-GFCCVEGCSA-N 1 2 291.351 1.895 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337919 772881028 /nfs/dbraw/zinc/88/10/28/772881028.db2.gz DVNAPTUSBITYOP-PHIMTYICSA-N 1 2 275.308 1.793 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337919 772881030 /nfs/dbraw/zinc/88/10/30/772881030.db2.gz DVNAPTUSBITYOP-PHIMTYICSA-N 1 2 275.308 1.793 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001173231807 912328184 /nfs/dbraw/zinc/32/81/84/912328184.db2.gz DDWUVTGZGOAQDW-VXGBXAGGSA-N 1 2 291.351 1.688 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001173231807 912328159 /nfs/dbraw/zinc/32/81/59/912328159.db2.gz DDWUVTGZGOAQDW-VXGBXAGGSA-N 1 2 291.351 1.688 20 5 CDBDLO COCC[NH+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000885935357 930773999 /nfs/dbraw/zinc/77/39/99/930773999.db2.gz IZXKHLNOXZNTHY-UHFFFAOYSA-N 1 2 269.301 1.085 20 5 CDBDLO Nc1cc([N+](=O)[O-])cnc1NCCc1cn2ccccc2[nH+]1 ZINC001158145817 938587366 /nfs/dbraw/zinc/58/73/66/938587366.db2.gz WURFKTPUUWRDPL-UHFFFAOYSA-N 1 2 298.306 1.874 20 5 CDBDLO Nc1nc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC001158145542 938587378 /nfs/dbraw/zinc/58/73/78/938587378.db2.gz QNUGSZTUQVGHMS-UHFFFAOYSA-N 1 2 298.306 1.874 20 5 CDBDLO Cc1nc(Nc2nccnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001160244852 938776543 /nfs/dbraw/zinc/77/65/43/938776543.db2.gz PVRVZHMMTCVTIH-UHFFFAOYSA-N 1 2 260.257 1.291 20 5 CDBDLO CC[NH+]1CC(OCc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001223513377 941683483 /nfs/dbraw/zinc/68/34/83/941683483.db2.gz AOAPPUUIDVELPJ-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001231262172 942839469 /nfs/dbraw/zinc/83/94/69/942839469.db2.gz DEPAIWAWPYOVTD-VIFPVBQESA-N 1 2 290.279 1.594 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233701749 943643390 /nfs/dbraw/zinc/64/33/90/943643390.db2.gz FAOQQWXYCCGGBM-JTQLQIEISA-N 1 2 297.267 1.212 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233701749 943643393 /nfs/dbraw/zinc/64/33/93/943643393.db2.gz FAOQQWXYCCGGBM-JTQLQIEISA-N 1 2 297.267 1.212 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001327728504 955018030 /nfs/dbraw/zinc/01/80/30/955018030.db2.gz RQKBZVPRJBCLST-VXGBXAGGSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001327728504 955018041 /nfs/dbraw/zinc/01/80/41/955018041.db2.gz RQKBZVPRJBCLST-VXGBXAGGSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1oncc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001308000483 956459438 /nfs/dbraw/zinc/45/94/38/956459438.db2.gz TZSBVYWHQZFNBY-CQSZACIVSA-N 1 2 291.307 1.889 20 5 CDBDLO CCNC(=O)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591140252 342618301 /nfs/dbraw/zinc/61/83/01/342618301.db2.gz ZSVXCOBYVGMIKO-UHFFFAOYSA-N 1 2 288.307 1.715 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594438064 342905828 /nfs/dbraw/zinc/90/58/28/342905828.db2.gz ZETAFYCLLIAWNU-QMTHXVAHSA-N 1 2 291.307 1.629 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2ccc(NCCCCO)[nH+]c2)cn1 ZINC000600789942 342249443 /nfs/dbraw/zinc/24/94/43/342249443.db2.gz VDTNEVGUUWLQST-UHFFFAOYSA-N 1 2 288.307 1.658 20 5 CDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076824306 342323589 /nfs/dbraw/zinc/32/35/89/342323589.db2.gz UWXZKZWLCQLEHE-XAAFQQQXSA-N 1 2 296.392 1.979 20 5 CDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076824306 342323590 /nfs/dbraw/zinc/32/35/90/342323590.db2.gz UWXZKZWLCQLEHE-XAAFQQQXSA-N 1 2 296.392 1.979 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000595703740 343126889 /nfs/dbraw/zinc/12/68/89/343126889.db2.gz HKZFKZFPVMWJLZ-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000595703740 343126890 /nfs/dbraw/zinc/12/68/90/343126890.db2.gz HKZFKZFPVMWJLZ-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO COC(=O)c1ccnc(N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000598626987 343847943 /nfs/dbraw/zinc/84/79/43/343847943.db2.gz BRNYSFFGYSCKNU-SSDOTTSWSA-N 1 2 291.267 1.673 20 5 CDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1[N+](=O)[O-] ZINC000598947085 343927368 /nfs/dbraw/zinc/92/73/68/343927368.db2.gz JNNMQTARVUUJGG-SNVBAGLBSA-N 1 2 286.291 1.536 20 5 CDBDLO O=C(CCCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541158 347412171 /nfs/dbraw/zinc/41/21/71/347412171.db2.gz YWGQUYNQXGZHRB-UHFFFAOYSA-N 1 2 290.279 1.916 20 5 CDBDLO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000312305080 350765927 /nfs/dbraw/zinc/76/59/27/350765927.db2.gz XTEMKGZELLKMCM-LBPRGKRZSA-N 1 2 282.296 1.515 20 5 CDBDLO Cc1ccc2[nH+]c(Cn3cc([N+](=O)[O-])cn3)cn2c1 ZINC000060817124 358478775 /nfs/dbraw/zinc/47/87/75/358478775.db2.gz NZEGSHBOBANODW-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC000341051385 366308566 /nfs/dbraw/zinc/30/85/66/366308566.db2.gz RAQOZAZGNDUYNQ-UHFFFAOYSA-N 1 2 260.297 1.927 20 5 CDBDLO Cc1c[nH+]c(CNCc2ccc([N+](=O)[O-])cc2)n1C ZINC000341051385 366308571 /nfs/dbraw/zinc/30/85/71/366308571.db2.gz RAQOZAZGNDUYNQ-UHFFFAOYSA-N 1 2 260.297 1.927 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncccc1[N+](=O)[O-] ZINC000048289370 356775580 /nfs/dbraw/zinc/77/55/80/356775580.db2.gz GZCZVORKJPSPJG-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073419352 356936895 /nfs/dbraw/zinc/93/68/95/356936895.db2.gz YIEFUNURDWWREV-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073419352 356936897 /nfs/dbraw/zinc/93/68/97/356936897.db2.gz YIEFUNURDWWREV-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000106883950 357284506 /nfs/dbraw/zinc/28/45/06/357284506.db2.gz KCWVBHZCSYXKEG-LLVKDONJSA-N 1 2 293.323 1.562 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCOC1 ZINC000106883950 357284508 /nfs/dbraw/zinc/28/45/08/357284508.db2.gz KCWVBHZCSYXKEG-LLVKDONJSA-N 1 2 293.323 1.562 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008706 358317731 /nfs/dbraw/zinc/31/77/31/358317731.db2.gz HIQMLINXNGJNIQ-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000611008706 358317735 /nfs/dbraw/zinc/31/77/35/358317735.db2.gz HIQMLINXNGJNIQ-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008706 358317741 /nfs/dbraw/zinc/31/77/41/358317741.db2.gz HIQMLINXNGJNIQ-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000611008706 358317746 /nfs/dbraw/zinc/31/77/46/358317746.db2.gz HIQMLINXNGJNIQ-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO Cc1[nH]c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000339181568 359303647 /nfs/dbraw/zinc/30/36/47/359303647.db2.gz CTRUWUGOAVLQBM-UHFFFAOYSA-N 1 2 289.295 1.468 20 5 CDBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413216158 363633832 /nfs/dbraw/zinc/63/38/32/363633832.db2.gz BTZJJAGBUMBLJM-ZANVPECISA-N 1 2 273.292 1.960 20 5 CDBDLO CN(Cc1[nH+]ccn1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339053259 359279761 /nfs/dbraw/zinc/27/97/61/359279761.db2.gz ISJYVIITRZKVAH-UHFFFAOYSA-N 1 2 276.296 1.666 20 5 CDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064460 359283494 /nfs/dbraw/zinc/28/34/94/359283494.db2.gz GNBWMKOPSASZMO-WDEREUQCSA-N 1 2 279.340 1.825 20 5 CDBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000575095222 360797157 /nfs/dbraw/zinc/79/71/57/360797157.db2.gz CIEBQBMXROWQLC-TZMCWYRMSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000575095222 360797163 /nfs/dbraw/zinc/79/71/63/360797163.db2.gz CIEBQBMXROWQLC-TZMCWYRMSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N(C)Cc1[nH+]ccn1C ZINC000270950745 239015757 /nfs/dbraw/zinc/01/57/57/239015757.db2.gz OLNTUCDLYQHYIW-UHFFFAOYSA-N 1 2 261.285 1.668 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275258647 367027437 /nfs/dbraw/zinc/02/74/37/367027437.db2.gz QXIPPHNVLOHSCX-UHFFFAOYSA-N 1 2 281.287 1.556 20 5 CDBDLO COC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192807235 372051196 /nfs/dbraw/zinc/05/11/96/372051196.db2.gz QGLBSNBPKWGYQI-UHFFFAOYSA-N 1 2 295.295 1.028 20 5 CDBDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192807235 372051198 /nfs/dbraw/zinc/05/11/98/372051198.db2.gz QGLBSNBPKWGYQI-UHFFFAOYSA-N 1 2 295.295 1.028 20 5 CDBDLO Cc1c(CC(=O)NCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000269586792 372470893 /nfs/dbraw/zinc/47/08/93/372470893.db2.gz BNFLZBXBXHAJKJ-UHFFFAOYSA-N 1 2 288.307 1.496 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273799 374462838 /nfs/dbraw/zinc/46/28/38/374462838.db2.gz OCSKMANTTWFGLV-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273799 374462842 /nfs/dbraw/zinc/46/28/42/374462842.db2.gz OCSKMANTTWFGLV-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000376691614 374567306 /nfs/dbraw/zinc/56/73/06/374567306.db2.gz SVRZSMJKBZLSIY-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000376691614 374567311 /nfs/dbraw/zinc/56/73/11/374567311.db2.gz SVRZSMJKBZLSIY-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154771313 374749061 /nfs/dbraw/zinc/74/90/61/374749061.db2.gz BGUCFJQLXIYTTH-ONGXEEELSA-N 1 2 266.301 1.121 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154771313 374749069 /nfs/dbraw/zinc/74/90/69/374749069.db2.gz BGUCFJQLXIYTTH-ONGXEEELSA-N 1 2 266.301 1.121 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000093054816 374726155 /nfs/dbraw/zinc/72/61/55/374726155.db2.gz HGLPATGZPZLCLE-AWEZNQCLSA-N 1 2 291.351 1.860 20 5 CDBDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000093054816 374726157 /nfs/dbraw/zinc/72/61/57/374726157.db2.gz HGLPATGZPZLCLE-AWEZNQCLSA-N 1 2 291.351 1.860 20 5 CDBDLO CSC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332698776 375045354 /nfs/dbraw/zinc/04/53/54/375045354.db2.gz UIMPBIIZWKAZMN-LLVKDONJSA-N 1 2 283.353 1.072 20 5 CDBDLO CSC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332698776 375045357 /nfs/dbraw/zinc/04/53/57/375045357.db2.gz UIMPBIIZWKAZMN-LLVKDONJSA-N 1 2 283.353 1.072 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000282155244 375067533 /nfs/dbraw/zinc/06/75/33/375067533.db2.gz GDZZBJFNKYOHOE-UHFFFAOYSA-N 1 2 261.285 1.547 20 5 CDBDLO Cc1ccc2[nH+]c(Cn3cnc([N+](=O)[O-])n3)cn2c1 ZINC000048603259 375331002 /nfs/dbraw/zinc/33/10/02/375331002.db2.gz DMIWPOAWGMVDGS-UHFFFAOYSA-N 1 2 258.241 1.191 20 5 CDBDLO CCc1nn(C)c(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000428128621 247247608 /nfs/dbraw/zinc/24/76/08/247247608.db2.gz CARSHSQRGHQYAR-UHFFFAOYSA-N 1 2 264.289 1.250 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cn1cc[nH+]c1 ZINC000267022213 379386431 /nfs/dbraw/zinc/38/64/31/379386431.db2.gz CZBZCYLNDZLBDR-SECBINFHSA-N 1 2 277.284 1.186 20 5 CDBDLO Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000174358092 379460909 /nfs/dbraw/zinc/46/09/09/379460909.db2.gz NIDKQLRMATZUKA-GFCCVEGCSA-N 1 2 279.296 1.172 20 5 CDBDLO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000174358092 379460917 /nfs/dbraw/zinc/46/09/17/379460917.db2.gz NIDKQLRMATZUKA-GFCCVEGCSA-N 1 2 279.296 1.172 20 5 CDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCc1[nH]cc[nH+]1 ZINC000279204270 194330962 /nfs/dbraw/zinc/33/09/62/194330962.db2.gz NEOSJGNONYHFJL-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492915752 253324753 /nfs/dbraw/zinc/32/47/53/253324753.db2.gz XOLGVPYVUGHALF-DAXSKMNVSA-N 1 2 286.291 1.658 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnnn1C ZINC000288329561 197052593 /nfs/dbraw/zinc/05/25/93/197052593.db2.gz ANKWGDQLRFFHOP-UHFFFAOYSA-N 1 2 291.311 1.412 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)C2CC2)c(F)c1 ZINC000285909189 390186435 /nfs/dbraw/zinc/18/64/35/390186435.db2.gz HIRQPBZMCIPJGX-UHFFFAOYSA-N 1 2 272.251 1.830 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)C2CC2)c(F)c1 ZINC000285909189 390186437 /nfs/dbraw/zinc/18/64/37/390186437.db2.gz HIRQPBZMCIPJGX-UHFFFAOYSA-N 1 2 272.251 1.830 20 5 CDBDLO CC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]CC1 ZINC000262372340 390911275 /nfs/dbraw/zinc/91/12/75/390911275.db2.gz LWGPYKCDDGECLM-UHFFFAOYSA-N 1 2 279.296 1.172 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356634618 391083615 /nfs/dbraw/zinc/08/36/15/391083615.db2.gz LUAVPPHFWCFLNO-UHFFFAOYSA-N 1 2 276.252 1.262 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC000189782340 130021803 /nfs/dbraw/zinc/02/18/03/130021803.db2.gz WDBVWQBHJWUFNG-DTWKUNHWSA-N 1 2 276.300 1.530 20 5 CDBDLO COc1cccc(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000193862486 392076208 /nfs/dbraw/zinc/07/62/08/392076208.db2.gz KAAWEKNJANCIMW-UHFFFAOYSA-N 1 2 290.279 1.230 20 5 CDBDLO CCC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000132366709 393216093 /nfs/dbraw/zinc/21/60/93/393216093.db2.gz SEGIIDPVMVMOHG-LLVKDONJSA-N 1 2 268.317 1.292 20 5 CDBDLO CCC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000132366709 393216095 /nfs/dbraw/zinc/21/60/95/393216095.db2.gz SEGIIDPVMVMOHG-LLVKDONJSA-N 1 2 268.317 1.292 20 5 CDBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000230013636 140205576 /nfs/dbraw/zinc/20/55/76/140205576.db2.gz OGTRGVYEVDYXSY-ZWNOBZJWSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000230013636 140205577 /nfs/dbraw/zinc/20/55/77/140205577.db2.gz OGTRGVYEVDYXSY-ZWNOBZJWSA-N 1 2 280.324 1.485 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266073549 397609685 /nfs/dbraw/zinc/60/96/85/397609685.db2.gz MKNNUKDTLZFNSM-NSHDSACASA-N 1 2 288.307 1.539 20 5 CDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])o1 ZINC000178389674 148057150 /nfs/dbraw/zinc/05/71/50/148057150.db2.gz QUCZOQJSUDYKGG-UHFFFAOYSA-N 1 2 286.247 1.766 20 5 CDBDLO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357025551 157633600 /nfs/dbraw/zinc/63/36/00/157633600.db2.gz AINUTUFCPNXFFV-NSHDSACASA-N 1 2 295.339 1.746 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000359630987 158317478 /nfs/dbraw/zinc/31/74/78/158317478.db2.gz ZBFOHMXGKIRLRE-NSHDSACASA-N 1 2 294.286 1.291 20 5 CDBDLO Cc1cc[nH+]c(C)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000362396520 159138351 /nfs/dbraw/zinc/13/83/51/159138351.db2.gz OCDJPXXGRMIFOL-UHFFFAOYSA-N 1 2 289.295 1.832 20 5 CDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C)cc[nH+]c1C ZINC000362394994 159138516 /nfs/dbraw/zinc/13/85/16/159138516.db2.gz GNIPTZGMGNOGOG-UHFFFAOYSA-N 1 2 289.295 1.750 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363870412 159348771 /nfs/dbraw/zinc/34/87/71/159348771.db2.gz VEYMRNAXPXEWPR-ZDUSSCGKSA-N 1 2 291.307 1.540 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363870412 159348774 /nfs/dbraw/zinc/34/87/74/159348774.db2.gz VEYMRNAXPXEWPR-ZDUSSCGKSA-N 1 2 291.307 1.540 20 5 CDBDLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000284486405 196068137 /nfs/dbraw/zinc/06/81/37/196068137.db2.gz FYMWZNJKUBTGKD-VHSXEESVSA-N 1 2 272.326 1.238 20 5 CDBDLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000284486405 196068139 /nfs/dbraw/zinc/06/81/39/196068139.db2.gz FYMWZNJKUBTGKD-VHSXEESVSA-N 1 2 272.326 1.238 20 5 CDBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000078543607 177352350 /nfs/dbraw/zinc/35/23/50/177352350.db2.gz UIJRZZYVQSJPLN-LLVKDONJSA-N 1 2 296.346 1.782 20 5 CDBDLO C[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]1 ZINC000235702148 280127540 /nfs/dbraw/zinc/12/75/40/280127540.db2.gz DLPNWLYNMZNGNO-IUCAKERBSA-N 1 2 279.296 1.627 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118853523 280363912 /nfs/dbraw/zinc/36/39/12/280363912.db2.gz FDILPPZKMWFUMT-UHFFFAOYSA-N 1 2 258.281 1.876 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118853523 280363915 /nfs/dbraw/zinc/36/39/15/280363915.db2.gz FDILPPZKMWFUMT-UHFFFAOYSA-N 1 2 258.281 1.876 20 5 CDBDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000566186632 316505839 /nfs/dbraw/zinc/50/58/39/316505839.db2.gz OJNPBGXLYOKWPH-ZYHUDNBSSA-N 1 2 286.715 1.752 20 5 CDBDLO Cn1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000575126053 316963117 /nfs/dbraw/zinc/96/31/17/316963117.db2.gz ZSTPHXRLXCQRIT-UHFFFAOYSA-N 1 2 286.295 1.494 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000576303789 317114534 /nfs/dbraw/zinc/11/45/34/317114534.db2.gz ZCFZXKQNEBGRFH-UHFFFAOYSA-N 1 2 286.291 1.797 20 5 CDBDLO CNc1c(C(=O)NCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000161496467 522539574 /nfs/dbraw/zinc/53/95/74/522539574.db2.gz ZREWPLIMHDCVFE-UHFFFAOYSA-N 1 2 275.268 1.290 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000772003301 575647890 /nfs/dbraw/zinc/64/78/90/575647890.db2.gz KCWSYZCFVGTTRM-UHFFFAOYSA-N 1 2 279.227 1.787 20 5 CDBDLO COC(=O)CC(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000763432435 576736905 /nfs/dbraw/zinc/73/69/05/576736905.db2.gz KQJMJQUDKMPLRL-UHFFFAOYSA-N 1 2 282.296 1.732 20 5 CDBDLO Cc1nn(C[NH+]2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000799955753 618401051 /nfs/dbraw/zinc/40/10/51/618401051.db2.gz PTWVFACPOYARMX-UHFFFAOYSA-N 1 2 266.301 1.312 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCF)C1 ZINC000894470970 618906098 /nfs/dbraw/zinc/90/60/98/618906098.db2.gz FMTURZFKAKBBQF-VIFPVBQESA-N 1 2 271.296 1.174 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000894470970 618906101 /nfs/dbraw/zinc/90/61/01/618906101.db2.gz FMTURZFKAKBBQF-VIFPVBQESA-N 1 2 271.296 1.174 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000895801578 619851328 /nfs/dbraw/zinc/85/13/28/619851328.db2.gz QPCNYSKWDXYBBL-JTQLQIEISA-N 1 2 298.318 1.652 20 5 CDBDLO O=[N+]([O-])CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000930306727 774559066 /nfs/dbraw/zinc/55/90/66/774559066.db2.gz WIRDOHFSDIZGQI-UHFFFAOYSA-N 1 2 286.335 1.798 20 5 CDBDLO O=[N+]([O-])CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000930306727 774559079 /nfs/dbraw/zinc/55/90/79/774559079.db2.gz WIRDOHFSDIZGQI-UHFFFAOYSA-N 1 2 286.335 1.798 20 5 CDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853579592 774881368 /nfs/dbraw/zinc/88/13/68/774881368.db2.gz ZRYCCDRSSUAGIL-UWVGGRQHSA-N 1 2 289.291 1.802 20 5 CDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853579592 774881369 /nfs/dbraw/zinc/88/13/69/774881369.db2.gz ZRYCCDRSSUAGIL-UWVGGRQHSA-N 1 2 289.291 1.802 20 5 CDBDLO CON1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000846977514 775034429 /nfs/dbraw/zinc/03/44/29/775034429.db2.gz RYKGFRRFKOZHAN-NSHDSACASA-N 1 2 265.313 1.835 20 5 CDBDLO C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000246632653 775569874 /nfs/dbraw/zinc/56/98/74/775569874.db2.gz OJJVEKRLOZROHL-WCQYABFASA-N 1 2 290.327 1.528 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ccnc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000882598729 776713231 /nfs/dbraw/zinc/71/32/31/776713231.db2.gz KFMIJLILNJCMIA-VHSXEESVSA-N 1 2 298.318 1.650 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ccnc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000882598729 776713253 /nfs/dbraw/zinc/71/32/53/776713253.db2.gz KFMIJLILNJCMIA-VHSXEESVSA-N 1 2 298.318 1.650 20 5 CDBDLO CN(C)c1cc(Cn2cccc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000782111965 777600853 /nfs/dbraw/zinc/60/08/53/777600853.db2.gz NIQVMDODALORJQ-UHFFFAOYSA-N 1 2 274.280 1.266 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000873721428 777941226 /nfs/dbraw/zinc/94/12/26/777941226.db2.gz TWVACLMLVOAREP-UHFFFAOYSA-N 1 2 277.324 1.599 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049726655 778045056 /nfs/dbraw/zinc/04/50/56/778045056.db2.gz UHQOJVXIWQSTDE-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049726655 778045067 /nfs/dbraw/zinc/04/50/67/778045067.db2.gz UHQOJVXIWQSTDE-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H]1C ZINC000787242602 779846265 /nfs/dbraw/zinc/84/62/65/779846265.db2.gz IXLBDEJAVMVBJO-MWLCHTKSSA-N 1 2 296.327 1.249 20 5 CDBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H]1C ZINC000787242602 779846266 /nfs/dbraw/zinc/84/62/66/779846266.db2.gz IXLBDEJAVMVBJO-MWLCHTKSSA-N 1 2 296.327 1.249 20 5 CDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)OCCCn1cc[nH+]c1 ZINC000784584738 779881994 /nfs/dbraw/zinc/88/19/94/779881994.db2.gz YPKPSUZVBDFUCM-UHFFFAOYSA-N 1 2 290.279 1.621 20 5 CDBDLO CCc1[nH]nc(C(=O)OCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000795614809 780167537 /nfs/dbraw/zinc/16/75/37/780167537.db2.gz SHQMRUNWYFTDFX-UHFFFAOYSA-N 1 2 293.283 1.324 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001173231806 912325129 /nfs/dbraw/zinc/32/51/29/912325129.db2.gz DDWUVTGZGOAQDW-RYUDHWBXSA-N 1 2 291.351 1.688 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001173231806 912325150 /nfs/dbraw/zinc/32/51/50/912325150.db2.gz DDWUVTGZGOAQDW-RYUDHWBXSA-N 1 2 291.351 1.688 20 5 CDBDLO Cc1nc(NCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001156756398 938414804 /nfs/dbraw/zinc/41/48/04/938414804.db2.gz XHRGCTRBMXPUFS-UHFFFAOYSA-N 1 2 259.269 1.888 20 5 CDBDLO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162688177 939118475 /nfs/dbraw/zinc/11/84/75/939118475.db2.gz JAZRQGPUVVXHCK-LLVKDONJSA-N 1 2 295.339 1.654 20 5 CDBDLO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162688177 939118478 /nfs/dbraw/zinc/11/84/78/939118478.db2.gz JAZRQGPUVVXHCK-LLVKDONJSA-N 1 2 295.339 1.654 20 5 CDBDLO COc1cccc(COC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001223809525 941699733 /nfs/dbraw/zinc/69/97/33/941699733.db2.gz RTQFWLOQGPTJSW-UHFFFAOYSA-N 1 2 252.270 1.434 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]CC(F)(F)C1)C2 ZINC001254594392 947546972 /nfs/dbraw/zinc/54/69/72/947546972.db2.gz QORGLQHAOXKGPM-ZDUSSCGKSA-N 1 2 297.305 1.603 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N[C@H](C)Cn1cc[nH+]c1 ZINC001327587127 954947583 /nfs/dbraw/zinc/94/75/83/954947583.db2.gz HXIILSGRWBZFFN-SNVBAGLBSA-N 1 2 261.285 1.417 20 5 CDBDLO 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ZINC000286509128 278477006 /nfs/dbraw/zinc/47/70/06/278477006.db2.gz YWBZEHMDBUPEGI-WCQYABFASA-N 1 2 292.339 1.289 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134499737 279780572 /nfs/dbraw/zinc/78/05/72/279780572.db2.gz NGMBPLKDXRCDOH-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO CNc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1[N+](=O)[O-] ZINC000530883184 281622927 /nfs/dbraw/zinc/62/29/27/281622927.db2.gz HCJPQLZVJFTUJQ-UHFFFAOYSA-N 1 2 288.263 1.411 20 5 CDBDLO CC1(C(N)=O)C[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000564917414 293456267 /nfs/dbraw/zinc/45/62/67/293456267.db2.gz SHNDMXPXUJSRCW-UHFFFAOYSA-N 1 2 283.715 1.555 20 5 CDBDLO COc1ccccc1C[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000791052870 1162187321 /nfs/dbraw/zinc/18/73/21/1162187321.db2.gz GFPZOQAVYRSBKE-UHFFFAOYSA-N 1 2 250.298 1.936 20 5 CDBDLO COc1ccccc1C[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000791052870 1162187324 /nfs/dbraw/zinc/18/73/24/1162187324.db2.gz GFPZOQAVYRSBKE-UHFFFAOYSA-N 1 2 250.298 1.936 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000763114882 576714740 /nfs/dbraw/zinc/71/47/40/576714740.db2.gz ZEXNIXAPIJKFCK-UHFFFAOYSA-N 1 2 261.237 1.648 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]3CO)co2)cc1 ZINC000934018731 617858176 /nfs/dbraw/zinc/85/81/76/617858176.db2.gz XTBGUGZCADQMFJ-CYBMUJFWSA-N 1 2 289.291 1.816 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]3CO)co2)cc1 ZINC000934018731 617858177 /nfs/dbraw/zinc/85/81/77/617858177.db2.gz XTBGUGZCADQMFJ-CYBMUJFWSA-N 1 2 289.291 1.816 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000154522331 632282130 /nfs/dbraw/zinc/28/21/30/632282130.db2.gz PRNQTKFFWCIUQL-CYBMUJFWSA-N 1 2 294.307 1.077 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000154522331 632282133 /nfs/dbraw/zinc/28/21/33/632282133.db2.gz PRNQTKFFWCIUQL-CYBMUJFWSA-N 1 2 294.307 1.077 20 5 CDBDLO CO[C@H]1C[NH2+][C@@H](C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001574000696 1170858289 /nfs/dbraw/zinc/85/82/89/1170858289.db2.gz OCUBVHYHAFLOBI-VXGBXAGGSA-N 1 2 294.307 1.323 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]cn1C ZINC000355250835 782229771 /nfs/dbraw/zinc/22/97/71/782229771.db2.gz DFOWSFZWBPFPBX-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000781949336 782318396 /nfs/dbraw/zinc/31/83/96/782318396.db2.gz PLIDIUGFUZQTEE-BXKDBHETSA-N 1 2 291.311 1.108 20 5 CDBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000798197579 782392149 /nfs/dbraw/zinc/39/21/49/782392149.db2.gz SNRJNBGRLHZAAX-NSHDSACASA-N 1 2 254.286 1.840 20 5 CDBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])o1 ZINC000798197579 782392165 /nfs/dbraw/zinc/39/21/65/782392165.db2.gz SNRJNBGRLHZAAX-NSHDSACASA-N 1 2 254.286 1.840 20 5 CDBDLO Cc1c(C[NH2+][C@H](C)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000873112782 1165511004 /nfs/dbraw/zinc/51/10/04/1165511004.db2.gz GXNSUJMXVUPEAZ-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000789512780 780221965 /nfs/dbraw/zinc/22/19/65/780221965.db2.gz HZWVEIRVMOUNSK-NWDGAFQWSA-N 1 2 266.301 1.392 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000789512780 780221981 /nfs/dbraw/zinc/22/19/81/780221981.db2.gz HZWVEIRVMOUNSK-NWDGAFQWSA-N 1 2 266.301 1.392 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](C2CC2)C2COC2)cc1 ZINC000830236174 781882442 /nfs/dbraw/zinc/88/24/42/781882442.db2.gz VEWNBRRXAUMUNI-CQSZACIVSA-N 1 2 278.308 1.491 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](C2CC2)C2COC2)cc1 ZINC000830236174 781882450 /nfs/dbraw/zinc/88/24/50/781882450.db2.gz VEWNBRRXAUMUNI-CQSZACIVSA-N 1 2 278.308 1.491 20 5 CDBDLO O=C1CCC2=C(CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)N1 ZINC000886273708 783404684 /nfs/dbraw/zinc/40/46/84/783404684.db2.gz FFRWNTZTCJRQBA-UHFFFAOYSA-N 1 2 288.307 1.360 20 5 CDBDLO O=C1CCC2=C(CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)N1 ZINC000886273708 783404695 /nfs/dbraw/zinc/40/46/95/783404695.db2.gz FFRWNTZTCJRQBA-UHFFFAOYSA-N 1 2 288.307 1.360 20 5 CDBDLO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC001120556331 912098559 /nfs/dbraw/zinc/09/85/59/912098559.db2.gz WFMOWEYLKINEHQ-PRHODGIISA-N 1 2 292.295 1.670 20 5 CDBDLO Cc1c(CNC(=O)[C@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001116763648 920116297 /nfs/dbraw/zinc/11/62/97/920116297.db2.gz HUYCIXCYCLJYGO-NSHDSACASA-N 1 2 288.307 1.977 20 5 CDBDLO CCOCC[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326467505 932243991 /nfs/dbraw/zinc/24/39/91/932243991.db2.gz XQTPFNVVETWKPF-CQSZACIVSA-N 1 2 280.324 1.698 20 5 CDBDLO CCOCC[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326467505 932243999 /nfs/dbraw/zinc/24/39/99/932243999.db2.gz XQTPFNVVETWKPF-CQSZACIVSA-N 1 2 280.324 1.698 20 5 CDBDLO C[NH+]1CC(NC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155815302 937676519 /nfs/dbraw/zinc/67/65/19/937676519.db2.gz BBNFRPIUMMTBIR-UHFFFAOYSA-N 1 2 292.342 1.827 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962299 941934722 /nfs/dbraw/zinc/93/47/22/941934722.db2.gz GERAYTLEPJKCHB-QMMMGPOBSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962299 941934724 /nfs/dbraw/zinc/93/47/24/941934724.db2.gz GERAYTLEPJKCHB-QMMMGPOBSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762584 942065212 /nfs/dbraw/zinc/06/52/12/942065212.db2.gz VYQVDBGJGXWHTP-JTQLQIEISA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762584 942065216 /nfs/dbraw/zinc/06/52/16/942065216.db2.gz VYQVDBGJGXWHTP-JTQLQIEISA-N 1 2 286.715 1.958 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(O)(C3CC3)C2)cc1 ZINC001326486087 954403034 /nfs/dbraw/zinc/40/30/34/954403034.db2.gz IOOLJKSSPZTLLL-CYBMUJFWSA-N 1 2 278.308 1.085 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001327728496 955017307 /nfs/dbraw/zinc/01/73/07/955017307.db2.gz RQKBZVPRJBCLST-NWDGAFQWSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001327728496 955017320 /nfs/dbraw/zinc/01/73/20/955017320.db2.gz RQKBZVPRJBCLST-NWDGAFQWSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1noc(C[N@H+]2CCCOC[C@H]2C)c1[N+](=O)[O-] ZINC000595387035 343052572 /nfs/dbraw/zinc/05/25/72/343052572.db2.gz NDAYLNQYKBGCIP-MRVPVSSYSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@@H+]2CCCOC[C@H]2C)c1[N+](=O)[O-] ZINC000595387035 343052574 /nfs/dbraw/zinc/05/25/74/343052574.db2.gz NDAYLNQYKBGCIP-MRVPVSSYSA-N 1 2 255.274 1.502 20 5 CDBDLO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000595472092 343072777 /nfs/dbraw/zinc/07/27/77/343072777.db2.gz HGXPQHQGQLPETJ-NSHDSACASA-N 1 2 281.287 1.444 20 5 CDBDLO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000595472092 343072779 /nfs/dbraw/zinc/07/27/79/343072779.db2.gz HGXPQHQGQLPETJ-NSHDSACASA-N 1 2 281.287 1.444 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(CN3CCn4c[nH+]cc4C3)nc2c1 ZINC000595492707 343076442 /nfs/dbraw/zinc/07/64/42/343076442.db2.gz ALHLKXZGJFORJD-UHFFFAOYSA-N 1 2 299.290 1.948 20 5 CDBDLO Cc1noc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000595495634 343077409 /nfs/dbraw/zinc/07/74/09/343077409.db2.gz WAXPSKJUYGHQSQ-JTQLQIEISA-N 1 2 277.284 1.535 20 5 CDBDLO Cc1noc(C[N@H+]2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000595495634 343077410 /nfs/dbraw/zinc/07/74/10/343077410.db2.gz WAXPSKJUYGHQSQ-JTQLQIEISA-N 1 2 277.284 1.535 20 5 CDBDLO Cc1cnc(NC[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078629739 342338941 /nfs/dbraw/zinc/33/89/41/342338941.db2.gz GEWGGIWNDICOBL-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccnc(NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599160904 343970921 /nfs/dbraw/zinc/97/09/21/343970921.db2.gz LHIMLDOIAVXQNE-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1ccnc(NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599160904 343970923 /nfs/dbraw/zinc/97/09/23/343970923.db2.gz LHIMLDOIAVXQNE-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344240747 362559231 /nfs/dbraw/zinc/55/92/31/362559231.db2.gz SHOMINGXMYZFBW-UHFFFAOYSA-N 1 2 278.243 1.397 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)cc1 ZINC000074313148 345677903 /nfs/dbraw/zinc/67/79/03/345677903.db2.gz BGFPUDMGTYDGQA-NSHDSACASA-N 1 2 290.279 1.211 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)cc1 ZINC000074313148 345677905 /nfs/dbraw/zinc/67/79/05/345677905.db2.gz BGFPUDMGTYDGQA-NSHDSACASA-N 1 2 290.279 1.211 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000027646278 348664657 /nfs/dbraw/zinc/66/46/57/348664657.db2.gz HPZFGCCJWFCMEK-VHSXEESVSA-N 1 2 293.323 1.303 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000027646278 348664659 /nfs/dbraw/zinc/66/46/59/348664659.db2.gz HPZFGCCJWFCMEK-VHSXEESVSA-N 1 2 293.323 1.303 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272653079 191848313 /nfs/dbraw/zinc/84/83/13/191848313.db2.gz FRXPJRCPHADHFF-UHFFFAOYSA-N 1 2 290.283 1.387 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+](CCO)CCO ZINC000107904819 357371611 /nfs/dbraw/zinc/37/16/11/357371611.db2.gz MVAWJKVMYNDXFI-UHFFFAOYSA-N 1 2 274.704 1.035 20 5 CDBDLO Cc1nn(CC[N@@H+]2CCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188185206 357857425 /nfs/dbraw/zinc/85/74/25/357857425.db2.gz WSYQVSYMSQDBNG-VIFPVBQESA-N 1 2 268.317 1.129 20 5 CDBDLO Cc1nn(CC[N@H+]2CCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188185206 357857427 /nfs/dbraw/zinc/85/74/27/357857427.db2.gz WSYQVSYMSQDBNG-VIFPVBQESA-N 1 2 268.317 1.129 20 5 CDBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1[nH]cc[nH+]1 ZINC000338880494 359192098 /nfs/dbraw/zinc/19/20/98/359192098.db2.gz ATYWNXOEBWGFMD-LLVKDONJSA-N 1 2 291.311 1.784 20 5 CDBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000168626072 361335297 /nfs/dbraw/zinc/33/52/97/361335297.db2.gz IQUMXPKJPSMBAI-GWCFXTLKSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000168626072 361335303 /nfs/dbraw/zinc/33/53/03/361335303.db2.gz IQUMXPKJPSMBAI-GWCFXTLKSA-N 1 2 266.297 1.176 20 5 CDBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000330890390 203358975 /nfs/dbraw/zinc/35/89/75/203358975.db2.gz HFHLZZKKRNFMBJ-GFCCVEGCSA-N 1 2 298.364 1.604 20 5 CDBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000330890390 203358979 /nfs/dbraw/zinc/35/89/79/203358979.db2.gz HFHLZZKKRNFMBJ-GFCCVEGCSA-N 1 2 298.364 1.604 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1N1CCn2c[nH+]cc2C1 ZINC000290693514 370009294 /nfs/dbraw/zinc/00/92/94/370009294.db2.gz MSJNWBQPBGKQFG-UHFFFAOYSA-N 1 2 262.244 1.951 20 5 CDBDLO CN1CC[N@H+](C)[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000225344734 374242809 /nfs/dbraw/zinc/24/28/09/374242809.db2.gz PPSLBEMMTBBEBV-NSHDSACASA-N 1 2 264.329 1.253 20 5 CDBDLO CN1CC[N@@H+](C)[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000225344734 374242820 /nfs/dbraw/zinc/24/28/20/374242820.db2.gz PPSLBEMMTBBEBV-NSHDSACASA-N 1 2 264.329 1.253 20 5 CDBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ncnn1C ZINC000276619996 374736694 /nfs/dbraw/zinc/73/66/94/374736694.db2.gz FABXWDYERSVUSK-SSDOTTSWSA-N 1 2 267.314 1.636 20 5 CDBDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330975416 374876793 /nfs/dbraw/zinc/87/67/93/374876793.db2.gz CQFUXALADBYXAG-FQEVSTJZSA-N 1 2 296.392 1.980 20 5 CDBDLO CC1(C)C[S@@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330975416 374876797 /nfs/dbraw/zinc/87/67/97/374876797.db2.gz CQFUXALADBYXAG-FQEVSTJZSA-N 1 2 296.392 1.980 20 5 CDBDLO COC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000125599830 375040600 /nfs/dbraw/zinc/04/06/00/375040600.db2.gz VFYSMKMQJVFBOZ-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO COC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000125599830 375040606 /nfs/dbraw/zinc/04/06/06/375040606.db2.gz VFYSMKMQJVFBOZ-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248987425 375326190 /nfs/dbraw/zinc/32/61/90/375326190.db2.gz XDOQBDNKRZUOLX-STQMWFEESA-N 1 2 294.307 1.011 20 5 CDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248987425 375326194 /nfs/dbraw/zinc/32/61/94/375326194.db2.gz XDOQBDNKRZUOLX-STQMWFEESA-N 1 2 294.307 1.011 20 5 CDBDLO Cc1cc(NC(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000352881085 375548536 /nfs/dbraw/zinc/54/85/36/375548536.db2.gz BUZLKQXZWDZFSV-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356338966 375835633 /nfs/dbraw/zinc/83/56/33/375835633.db2.gz LFVMTGJYVAVUEG-UHFFFAOYSA-N 1 2 290.279 1.306 20 5 CDBDLO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436964929 284676215 /nfs/dbraw/zinc/67/62/15/284676215.db2.gz JEAJQMNZEFCUPU-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000449790547 251026232 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DWGOBXAGACVGAQ-UHFFFAOYSA-N 1 2 274.280 1.150 20 5 CDBDLO C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000773548373 575823403 /nfs/dbraw/zinc/82/34/03/575823403.db2.gz WVIPMSLRPPJTBR-UHFFFAOYSA-N 1 2 295.295 1.056 20 5 CDBDLO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895245505 619486382 /nfs/dbraw/zinc/48/63/82/619486382.db2.gz BAMVJGXOQCLNEY-ZYHUDNBSSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895245505 619486383 /nfs/dbraw/zinc/48/63/83/619486383.db2.gz BAMVJGXOQCLNEY-ZYHUDNBSSA-N 1 2 279.344 1.036 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000896654155 620183988 /nfs/dbraw/zinc/18/39/88/620183988.db2.gz KLULEDQQSJAIRJ-UHFFFAOYSA-N 1 2 287.323 1.956 20 5 CDBDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905219690 626698226 /nfs/dbraw/zinc/69/82/26/626698226.db2.gz MUEAMQBSWKMEIQ-NSHDSACASA-N 1 2 286.353 1.024 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]12CC[C@H]1C[NH2+]C2 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VIECSIBFPGAXGH-MRVPVSSYSA-N 1 2 290.283 1.408 20 5 CDBDLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267755327 361742199 /nfs/dbraw/zinc/74/21/99/361742199.db2.gz DZQBIHXGMTZDFT-QWRGUYRKSA-N 1 2 293.323 1.643 20 5 CDBDLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267755327 361742202 /nfs/dbraw/zinc/74/22/02/361742202.db2.gz DZQBIHXGMTZDFT-QWRGUYRKSA-N 1 2 293.323 1.643 20 5 CDBDLO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000609192741 342093287 /nfs/dbraw/zinc/09/32/87/342093287.db2.gz IYAODLFCCQPRNN-QWRGUYRKSA-N 1 2 280.328 1.511 20 5 CDBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595448586 343054353 /nfs/dbraw/zinc/05/43/53/343054353.db2.gz JPCOIZHEPMEORH-SNVBAGLBSA-N 1 2 269.301 1.484 20 5 CDBDLO Cc1noc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595448586 343054354 /nfs/dbraw/zinc/05/43/54/343054354.db2.gz JPCOIZHEPMEORH-SNVBAGLBSA-N 1 2 269.301 1.484 20 5 CDBDLO Cc1noc(C[NH2+][C@H](CO)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595428480 343057458 /nfs/dbraw/zinc/05/74/58/343057458.db2.gz DPJBFXAXWQUALJ-LLVKDONJSA-N 1 2 295.270 1.854 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596079541 343227126 /nfs/dbraw/zinc/22/71/26/343227126.db2.gz RVXZKIDNEWTJGZ-QMMMGPOBSA-N 1 2 263.257 1.393 20 5 CDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1[nH+]ccn1C ZINC000596489057 343329722 /nfs/dbraw/zinc/32/97/22/343329722.db2.gz UBGGFPYFMADHPI-SSDOTTSWSA-N 1 2 263.257 1.147 20 5 CDBDLO CNC(=O)CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093717364 342425888 /nfs/dbraw/zinc/42/58/88/342425888.db2.gz MFGOZFAAMQNJEA-UHFFFAOYSA-N 1 2 281.312 1.258 20 5 CDBDLO CNC(=O)CCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093717364 342425889 /nfs/dbraw/zinc/42/58/89/342425889.db2.gz MFGOZFAAMQNJEA-UHFFFAOYSA-N 1 2 281.312 1.258 20 5 CDBDLO CNC(=O)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597249378 343498656 /nfs/dbraw/zinc/49/86/56/343498656.db2.gz HJRAEULCAHPCOV-UHFFFAOYSA-N 1 2 251.286 1.081 20 5 CDBDLO CNC(=O)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597249378 343498658 /nfs/dbraw/zinc/49/86/58/343498658.db2.gz HJRAEULCAHPCOV-UHFFFAOYSA-N 1 2 251.286 1.081 20 5 CDBDLO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598460171 343805053 /nfs/dbraw/zinc/80/50/53/343805053.db2.gz RJABIWZSZIUIEA-JTQLQIEISA-N 1 2 288.307 1.748 20 5 CDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598738493 343892516 /nfs/dbraw/zinc/89/25/16/343892516.db2.gz MNXFLCLYTFVAMY-QMMMGPOBSA-N 1 2 292.299 1.036 20 5 CDBDLO CCOc1cc(NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599161342 343971470 /nfs/dbraw/zinc/97/14/70/343971470.db2.gz OXNPFWSVZDFUSB-LBPRGKRZSA-N 1 2 295.339 1.736 20 5 CDBDLO CCOc1cc(NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599161342 343971474 /nfs/dbraw/zinc/97/14/74/343971474.db2.gz OXNPFWSVZDFUSB-LBPRGKRZSA-N 1 2 295.339 1.736 20 5 CDBDLO CO[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602897641 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CC(C)[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000016419528 348527614 /nfs/dbraw/zinc/52/76/14/348527614.db2.gz MDOUZFBAWGUQQS-UHFFFAOYSA-N 1 2 251.286 1.291 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000016419528 348527618 /nfs/dbraw/zinc/52/76/18/348527618.db2.gz MDOUZFBAWGUQQS-UHFFFAOYSA-N 1 2 251.286 1.291 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092097728 180323352 /nfs/dbraw/zinc/32/33/52/180323352.db2.gz GJAMZUUWZYVSCB-LBPRGKRZSA-N 1 2 277.324 1.614 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092097728 180323354 /nfs/dbraw/zinc/32/33/54/180323354.db2.gz GJAMZUUWZYVSCB-LBPRGKRZSA-N 1 2 277.324 1.614 20 5 CDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000167186616 363022514 /nfs/dbraw/zinc/02/25/14/363022514.db2.gz AUHYPYJMCKZEKK-GWCFXTLKSA-N 1 2 293.323 1.236 20 5 CDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000167186616 363022520 /nfs/dbraw/zinc/02/25/20/363022520.db2.gz 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C[C@@H](C[NH+]1CCOCC1)Oc1cncc([N+](=O)[O-])c1 ZINC001227988768 942252376 /nfs/dbraw/zinc/25/23/76/942252376.db2.gz XHXLFEQLDVGWAW-JTQLQIEISA-N 1 2 267.285 1.089 20 5 CDBDLO CC[N@@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975306 942401702 /nfs/dbraw/zinc/40/17/02/942401702.db2.gz ZGXBJXGKHJMRCQ-SNVBAGLBSA-N 1 2 282.296 1.869 20 5 CDBDLO CC[N@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975306 942401705 /nfs/dbraw/zinc/40/17/05/942401705.db2.gz ZGXBJXGKHJMRCQ-SNVBAGLBSA-N 1 2 282.296 1.869 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CS(=O)C2 ZINC001254552018 947521355 /nfs/dbraw/zinc/52/13/55/947521355.db2.gz IATNUVUDYMBPTH-NSHDSACASA-N 1 2 294.376 1.590 20 5 CDBDLO COC[C@@H]1COCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612406 947556068 /nfs/dbraw/zinc/55/60/68/947556068.db2.gz VZKXEALAMOGROA-HUUCEWRRSA-N 1 2 292.335 1.409 20 5 CDBDLO COC[C@@H]1COCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612406 947556070 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Cc1n[nH]c([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595551853 343086436 /nfs/dbraw/zinc/08/64/36/343086436.db2.gz ZAGODDZPWQKJQZ-VIFPVBQESA-N 1 2 292.299 1.307 20 5 CDBDLO Cc1nc([C@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n[nH]1 ZINC000595551853 343086437 /nfs/dbraw/zinc/08/64/37/343086437.db2.gz ZAGODDZPWQKJQZ-VIFPVBQESA-N 1 2 292.299 1.307 20 5 CDBDLO Cc1nc([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n[nH]1 ZINC000595551853 343086439 /nfs/dbraw/zinc/08/64/39/343086439.db2.gz ZAGODDZPWQKJQZ-VIFPVBQESA-N 1 2 292.299 1.307 20 5 CDBDLO Cc1noc(C[N@@H+](C[C@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000595564229 343099619 /nfs/dbraw/zinc/09/96/19/343099619.db2.gz YPMQNKMZWHWWLF-ZETCQYMHSA-N 1 2 255.274 1.236 20 5 CDBDLO Cc1noc(C[N@H+](C[C@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000595564229 343099621 /nfs/dbraw/zinc/09/96/21/343099621.db2.gz YPMQNKMZWHWWLF-ZETCQYMHSA-N 1 2 255.274 1.236 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436971269 362156815 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Cc1c(C(=O)N(C)Cc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000061511821 348906285 /nfs/dbraw/zinc/90/62/85/348906285.db2.gz MLMQJHPBGDGQFK-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159656664 363146481 /nfs/dbraw/zinc/14/64/81/363146481.db2.gz BEPGKLGIARXYMP-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000271597968 191233430 /nfs/dbraw/zinc/23/34/30/191233430.db2.gz HTYOYKFCGXCKCH-ZDUSSCGKSA-N 1 2 296.298 1.894 20 5 CDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000271597968 191233431 /nfs/dbraw/zinc/23/34/31/191233431.db2.gz HTYOYKFCGXCKCH-ZDUSSCGKSA-N 1 2 296.298 1.894 20 5 CDBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000559042872 356078598 /nfs/dbraw/zinc/07/85/98/356078598.db2.gz WUCXNQILNLLDHG-LLVKDONJSA-N 1 2 289.295 1.840 20 5 CDBDLO CCN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000273581857 192214540 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C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[NH2+]C1 ZINC000261983074 357350378 /nfs/dbraw/zinc/35/03/78/357350378.db2.gz IQSKWFXAAUSOHZ-KOLCDFICSA-N 1 2 293.323 1.418 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000287176568 358122402 /nfs/dbraw/zinc/12/24/02/358122402.db2.gz ZXIARCITBZBHJF-CYBMUJFWSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287176568 358122407 /nfs/dbraw/zinc/12/24/07/358122407.db2.gz ZXIARCITBZBHJF-CYBMUJFWSA-N 1 2 268.288 1.891 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774636 358662632 /nfs/dbraw/zinc/66/26/32/358662632.db2.gz JGDHDMIJONZNKL-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774636 358662635 /nfs/dbraw/zinc/66/26/35/358662635.db2.gz JGDHDMIJONZNKL-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO Cc1nn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000567628248 358709875 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COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000050048690 284012796 /nfs/dbraw/zinc/01/27/96/284012796.db2.gz UCLRXRWKCJMAOK-LBPRGKRZSA-N 1 2 264.281 1.732 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000050048690 284012800 /nfs/dbraw/zinc/01/28/00/284012800.db2.gz UCLRXRWKCJMAOK-LBPRGKRZSA-N 1 2 264.281 1.732 20 5 CDBDLO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368647512 374322206 /nfs/dbraw/zinc/32/22/06/374322206.db2.gz NPTXHMQWRVZJFE-GFCCVEGCSA-N 1 2 291.307 1.172 20 5 CDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378517625 374647654 /nfs/dbraw/zinc/64/76/54/374647654.db2.gz GIRHSFYFYAFGBC-ZETCQYMHSA-N 1 2 276.256 1.018 20 5 CDBDLO CC1(C)C[S@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330975417 374877143 /nfs/dbraw/zinc/87/71/43/374877143.db2.gz CQFUXALADBYXAG-HXUWFJFHSA-N 1 2 296.392 1.980 20 5 CDBDLO CC1(C)C[S@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330975417 374877151 /nfs/dbraw/zinc/87/71/51/374877151.db2.gz CQFUXALADBYXAG-HXUWFJFHSA-N 1 2 296.392 1.980 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1C ZINC000279980066 374977733 /nfs/dbraw/zinc/97/77/33/374977733.db2.gz FGZHEAIZSZWPLY-UHFFFAOYSA-N 1 2 278.316 1.490 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280017384 374979903 /nfs/dbraw/zinc/97/99/03/374979903.db2.gz XUULUXSHFUVAHY-LBPRGKRZSA-N 1 2 291.307 1.866 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000280017384 374979908 /nfs/dbraw/zinc/97/99/08/374979908.db2.gz XUULUXSHFUVAHY-LBPRGKRZSA-N 1 2 291.307 1.866 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000332206206 375014716 /nfs/dbraw/zinc/01/47/16/375014716.db2.gz DWEJCKHJEAWICF-JTQLQIEISA-N 1 2 266.297 1.911 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000332206206 375014723 /nfs/dbraw/zinc/01/47/23/375014723.db2.gz DWEJCKHJEAWICF-JTQLQIEISA-N 1 2 266.297 1.911 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C[NH+](C)C ZINC000293838896 375042413 /nfs/dbraw/zinc/04/24/13/375042413.db2.gz DJTQPKTUPZVEMQ-VIFPVBQESA-N 1 2 281.312 1.228 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000173612166 378716108 /nfs/dbraw/zinc/71/61/08/378716108.db2.gz SGKJCZRTUVLSAF-ZDUSSCGKSA-N 1 2 293.323 1.481 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000173612166 378716111 /nfs/dbraw/zinc/71/61/11/378716111.db2.gz SGKJCZRTUVLSAF-ZDUSSCGKSA-N 1 2 293.323 1.481 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505614752 254090943 /nfs/dbraw/zinc/09/09/43/254090943.db2.gz RLXSCOGMMSFJBZ-ZDUSSCGKSA-N 1 2 295.314 1.787 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505614752 254090944 /nfs/dbraw/zinc/09/09/44/254090944.db2.gz RLXSCOGMMSFJBZ-ZDUSSCGKSA-N 1 2 295.314 1.787 20 5 CDBDLO CC(F)(F)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517732900 391293839 /nfs/dbraw/zinc/29/38/39/391293839.db2.gz NTPXLPMIRZEKQF-VIFPVBQESA-N 1 2 290.266 1.579 20 5 CDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106412 391618559 /nfs/dbraw/zinc/61/85/59/391618559.db2.gz GRXLQADZDVYQMO-UGZDLDLSSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106412 391618563 /nfs/dbraw/zinc/61/85/63/391618563.db2.gz GRXLQADZDVYQMO-UGZDLDLSSA-N 1 2 288.344 1.933 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423724314 392966972 /nfs/dbraw/zinc/96/69/72/392966972.db2.gz HUJWTQKOHKNXGH-TVQRCGJNSA-N 1 2 277.280 1.239 20 5 CDBDLO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)ncc1[N+](=O)[O-] ZINC000228081338 140190539 /nfs/dbraw/zinc/19/05/39/140190539.db2.gz JBJBNLDHSYGMFA-NXEZZACHSA-N 1 2 250.302 1.472 20 5 CDBDLO CSC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621262 155309241 /nfs/dbraw/zinc/30/92/41/155309241.db2.gz OGCIMBHDVPEEQE-LBPRGKRZSA-N 1 2 298.364 1.513 20 5 CDBDLO CSC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621262 155309243 /nfs/dbraw/zinc/30/92/43/155309243.db2.gz OGCIMBHDVPEEQE-LBPRGKRZSA-N 1 2 298.364 1.513 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)CN(CCn1cc[nH+]c1)CCO2 ZINC000352709078 155382678 /nfs/dbraw/zinc/38/26/78/155382678.db2.gz ZDHVPAYZFQYKRT-UHFFFAOYSA-N 1 2 288.307 1.686 20 5 CDBDLO CC[C@H]1C[N@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000362670037 159208549 /nfs/dbraw/zinc/20/85/49/159208549.db2.gz VNPFBNHULSKQDS-NSHDSACASA-N 1 2 280.328 1.513 20 5 CDBDLO CC[C@H]1C[N@@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000362670037 159208550 /nfs/dbraw/zinc/20/85/50/159208550.db2.gz VNPFBNHULSKQDS-NSHDSACASA-N 1 2 280.328 1.513 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000373975537 160242616 /nfs/dbraw/zinc/24/26/16/160242616.db2.gz HUPYHVFNHIDAIX-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000373975537 160242617 /nfs/dbraw/zinc/24/26/17/160242617.db2.gz HUPYHVFNHIDAIX-JTQLQIEISA-N 1 2 293.323 1.314 20 5 CDBDLO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783929 175105921 /nfs/dbraw/zinc/10/59/21/175105921.db2.gz WLQYEPDURSWGIB-LLVKDONJSA-N 1 2 279.340 1.941 20 5 CDBDLO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043783929 175105922 /nfs/dbraw/zinc/10/59/22/175105922.db2.gz WLQYEPDURSWGIB-LLVKDONJSA-N 1 2 279.340 1.941 20 5 CDBDLO Cc1cccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000044917237 175276528 /nfs/dbraw/zinc/27/65/28/175276528.db2.gz LOOOJPDPTRVPAB-LLVKDONJSA-N 1 2 288.307 1.918 20 5 CDBDLO CCc1cc(N)nc(SCc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC000447775427 270390684 /nfs/dbraw/zinc/39/06/84/270390684.db2.gz HWAYPULYJZNTTD-UHFFFAOYSA-N 1 2 294.340 1.386 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000041904812 279144237 /nfs/dbraw/zinc/14/42/37/279144237.db2.gz YXYAONBDSSRPFK-UHFFFAOYSA-N 1 2 274.280 1.150 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000134499680 279780618 /nfs/dbraw/zinc/78/06/18/279780618.db2.gz QUWGARFVDHHKGN-UHFFFAOYSA-N 1 2 260.253 1.290 20 5 CDBDLO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000281837128 289097530 /nfs/dbraw/zinc/09/75/30/289097530.db2.gz WTWXOLAPXUTZEF-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000561984086 293109236 /nfs/dbraw/zinc/10/92/36/293109236.db2.gz VRTFXKJWYYYJQU-DOMZBBRYSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000561984086 293109241 /nfs/dbraw/zinc/10/92/41/293109241.db2.gz VRTFXKJWYYYJQU-DOMZBBRYSA-N 1 2 294.351 1.875 20 5 CDBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000347304338 316049386 /nfs/dbraw/zinc/04/93/86/316049386.db2.gz NVIUGNFBWQNGRT-LJXYTEIVSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000347304338 316049390 /nfs/dbraw/zinc/04/93/90/316049390.db2.gz NVIUGNFBWQNGRT-LJXYTEIVSA-N 1 2 292.335 1.690 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338593676 527400042 /nfs/dbraw/zinc/40/00/42/527400042.db2.gz TZKDSSAKKIBXGE-LBPRGKRZSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593676 527400051 /nfs/dbraw/zinc/40/00/51/527400051.db2.gz TZKDSSAKKIBXGE-LBPRGKRZSA-N 1 2 254.261 1.501 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1NCCCNc1cccc[nH+]1 ZINC000048561528 527490432 /nfs/dbraw/zinc/49/04/32/527490432.db2.gz XZNUMNFRKSSLMF-UHFFFAOYSA-N 1 2 276.300 1.637 20 5 CDBDLO Cn1c(Cl)c[nH+]c1Cn1cccc([N+](=O)[O-])c1=O ZINC000726431817 574498971 /nfs/dbraw/zinc/49/89/71/574498971.db2.gz MMMSEQLKWGVCMU-UHFFFAOYSA-N 1 2 268.660 1.192 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000774517226 575210922 /nfs/dbraw/zinc/21/09/22/575210922.db2.gz ZUKDFJQGXBIINI-JTQLQIEISA-N 1 2 286.295 1.940 20 5 CDBDLO CN1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1=O ZINC000738333636 576060267 /nfs/dbraw/zinc/06/02/67/576060267.db2.gz XIKLUWUIGWUXEJ-GFCCVEGCSA-N 1 2 281.287 1.396 20 5 CDBDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1=O ZINC000738333636 576060268 /nfs/dbraw/zinc/06/02/68/576060268.db2.gz XIKLUWUIGWUXEJ-GFCCVEGCSA-N 1 2 281.287 1.396 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152709808 631326825 /nfs/dbraw/zinc/32/68/25/631326825.db2.gz ZEBMVDPPKWJHKL-UHFFFAOYSA-N 1 2 294.698 1.875 20 5 CDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC(n2cc[nH+]c2)C1 ZINC000804546978 1162484626 /nfs/dbraw/zinc/48/46/26/1162484626.db2.gz WGOPBGNKQNIPES-UHFFFAOYSA-N 1 2 289.251 1.761 20 5 CDBDLO O=C1OCCN1c1cccc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000791054221 1162187579 /nfs/dbraw/zinc/18/75/79/1162187579.db2.gz YTDSLQDDQGBDLM-UHFFFAOYSA-N 1 2 291.307 1.278 20 5 CDBDLO O=C1OCCN1c1cccc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC000791054221 1162187582 /nfs/dbraw/zinc/18/75/82/1162187582.db2.gz YTDSLQDDQGBDLM-UHFFFAOYSA-N 1 2 291.307 1.278 20 5 CDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886303919 813267543 /nfs/dbraw/zinc/26/75/43/813267543.db2.gz JEONFQKBLRESQH-CYBMUJFWSA-N 1 2 292.339 1.480 20 5 CDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886303919 813267584 /nfs/dbraw/zinc/26/75/84/813267584.db2.gz JEONFQKBLRESQH-CYBMUJFWSA-N 1 2 292.339 1.480 20 5 CDBDLO CO[C@H]1C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000840138817 813324874 /nfs/dbraw/zinc/32/48/74/813324874.db2.gz GGEWGJPKTIWCNX-QWRGUYRKSA-N 1 2 280.328 1.638 20 5 CDBDLO CO[C@H]1C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000840138817 813324883 /nfs/dbraw/zinc/32/48/83/813324883.db2.gz GGEWGJPKTIWCNX-QWRGUYRKSA-N 1 2 280.328 1.638 20 5 CDBDLO C[N@@H+]1CC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000712529135 814357183 /nfs/dbraw/zinc/35/71/83/814357183.db2.gz MWEYKKHOSUIWPN-SSDOTTSWSA-N 1 2 256.693 1.181 20 5 CDBDLO C[N@H+]1CC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000712529135 814357198 /nfs/dbraw/zinc/35/71/98/814357198.db2.gz MWEYKKHOSUIWPN-SSDOTTSWSA-N 1 2 256.693 1.181 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnnn1C ZINC000850468530 814577026 /nfs/dbraw/zinc/57/70/26/814577026.db2.gz IXIRIZBBAJNGMG-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029180264 817811960 /nfs/dbraw/zinc/81/19/60/817811960.db2.gz HWVGJEHYALEAJC-GASCZTMLSA-N 1 2 289.335 1.790 20 5 CDBDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029180264 817811961 /nfs/dbraw/zinc/81/19/61/817811961.db2.gz HWVGJEHYALEAJC-GASCZTMLSA-N 1 2 289.335 1.790 20 5 CDBDLO CC(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885972818 817875498 /nfs/dbraw/zinc/87/54/98/817875498.db2.gz LBZNPLQLQUJNMK-UHFFFAOYSA-N 1 2 278.312 1.090 20 5 CDBDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791053648 817878039 /nfs/dbraw/zinc/87/80/39/817878039.db2.gz UYTMWKNZXRQOHG-NSHDSACASA-N 1 2 287.360 1.594 20 5 CDBDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791053648 817878042 /nfs/dbraw/zinc/87/80/42/817878042.db2.gz UYTMWKNZXRQOHG-NSHDSACASA-N 1 2 287.360 1.594 20 5 CDBDLO CC[NH2+]Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000843145555 937117003 /nfs/dbraw/zinc/11/70/03/937117003.db2.gz KDGHOQYCRDCUIO-UHFFFAOYSA-N 1 2 278.268 1.666 20 5 CDBDLO C[N@@H+](Cc1ccon1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583969 927748872 /nfs/dbraw/zinc/74/88/72/927748872.db2.gz HVQPBKNDWRGWLC-CYBMUJFWSA-N 1 2 277.280 1.748 20 5 CDBDLO C[N@H+](Cc1ccon1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583969 927748880 /nfs/dbraw/zinc/74/88/80/927748880.db2.gz HVQPBKNDWRGWLC-CYBMUJFWSA-N 1 2 277.280 1.748 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001162682796 939115295 /nfs/dbraw/zinc/11/52/95/939115295.db2.gz HJJOOQAOQJSASE-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001162682796 939115297 /nfs/dbraw/zinc/11/52/97/939115297.db2.gz HJJOOQAOQJSASE-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO CC[N@@H+]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621146 941889583 /nfs/dbraw/zinc/88/95/83/941889583.db2.gz CIIWFQUYLPLTDV-SECBINFHSA-N 1 2 252.270 1.773 20 5 CDBDLO CC[N@H+]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621146 941889588 /nfs/dbraw/zinc/88/95/88/941889588.db2.gz CIIWFQUYLPLTDV-SECBINFHSA-N 1 2 252.270 1.773 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ncon1)C2 ZINC001254566999 947528734 /nfs/dbraw/zinc/52/87/34/947528734.db2.gz MHVCNSLQMQTOPE-JTQLQIEISA-N 1 2 260.253 1.235 20 5 CDBDLO CCOC(=O)C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595007 947546811 /nfs/dbraw/zinc/54/68/11/947546811.db2.gz UQWXPJKNZZWQBR-ZDUSSCGKSA-N 1 2 278.308 1.557 20 5 CDBDLO CCOC(=O)C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595007 947546820 /nfs/dbraw/zinc/54/68/20/947546820.db2.gz UQWXPJKNZZWQBR-ZDUSSCGKSA-N 1 2 278.308 1.557 20 5 CDBDLO COc1cc(C[NH2+]Cc2cc(C)n[nH]2)c([N+](=O)[O-])cc1O ZINC001308281825 956508531 /nfs/dbraw/zinc/50/85/31/956508531.db2.gz CQSUWFWPFKQOQY-UHFFFAOYSA-N 1 2 292.295 1.630 20 5 CDBDLO CCn1c[nH+]cc1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001518049644 970007969 /nfs/dbraw/zinc/00/79/69/970007969.db2.gz WKWTUVBSHKEKOK-UHFFFAOYSA-N 1 2 269.301 1.782 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128349924 342530748 /nfs/dbraw/zinc/53/07/48/342530748.db2.gz JJHVRSQIEVMUPB-UHFFFAOYSA-N 1 2 294.698 1.875 20 5 CDBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000591150716 342618939 /nfs/dbraw/zinc/61/89/39/342618939.db2.gz VIIYJDPRCICOSN-GZMMTYOYSA-N 1 2 284.291 1.260 20 5 CDBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000591150716 342618940 /nfs/dbraw/zinc/61/89/40/342618940.db2.gz VIIYJDPRCICOSN-GZMMTYOYSA-N 1 2 284.291 1.260 20 5 CDBDLO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593919618 342851448 /nfs/dbraw/zinc/85/14/48/342851448.db2.gz VJZIILWRBUEOCM-UHFFFAOYSA-N 1 2 293.323 1.420 20 5 CDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000594240155 342881527 /nfs/dbraw/zinc/88/15/27/342881527.db2.gz PENSAHWFQFDSFZ-JTQLQIEISA-N 1 2 288.307 1.813 20 5 CDBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000594240155 342881528 /nfs/dbraw/zinc/88/15/28/342881528.db2.gz PENSAHWFQFDSFZ-JTQLQIEISA-N 1 2 288.307 1.813 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301761 343028329 /nfs/dbraw/zinc/02/83/29/343028329.db2.gz OMYRYIFAPBREQX-LBPRGKRZSA-N 1 2 295.314 1.834 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301761 343028332 /nfs/dbraw/zinc/02/83/32/343028332.db2.gz OMYRYIFAPBREQX-LBPRGKRZSA-N 1 2 295.314 1.834 20 5 CDBDLO COC(=O)[C@H](C)C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595299377 343027778 /nfs/dbraw/zinc/02/77/78/343027778.db2.gz YQJIVPGDYPJTNN-SSDOTTSWSA-N 1 2 271.273 1.132 20 5 CDBDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595299377 343027781 /nfs/dbraw/zinc/02/77/81/343027781.db2.gz YQJIVPGDYPJTNN-SSDOTTSWSA-N 1 2 271.273 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288.311 1.669 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011008924 374410633 /nfs/dbraw/zinc/41/06/33/374410633.db2.gz DPUOHSFSYCTFAS-UHFFFAOYSA-N 1 2 289.295 1.992 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCO ZINC000447806545 374714115 /nfs/dbraw/zinc/71/41/15/374714115.db2.gz NUBVTXYRQHFXAG-UHFFFAOYSA-N 1 2 295.339 1.221 20 5 CDBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1O ZINC000332180167 375012562 /nfs/dbraw/zinc/01/25/62/375012562.db2.gz DNMSUCYYMSRWQW-TVQRCGJNSA-N 1 2 290.323 1.674 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1O ZINC000332180167 375012569 /nfs/dbraw/zinc/01/25/69/375012569.db2.gz DNMSUCYYMSRWQW-TVQRCGJNSA-N 1 2 290.323 1.674 20 5 CDBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cn21 ZINC000344964734 375678851 /nfs/dbraw/zinc/67/88/51/375678851.db2.gz GRDWRUPMBCDPJO-UHFFFAOYSA-N 1 2 299.290 1.809 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000357282703 375894295 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C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659191 250161379 /nfs/dbraw/zinc/16/13/79/250161379.db2.gz CNBPWLVCVZJLIN-WCBMZHEXSA-N 1 2 276.296 1.426 20 5 CDBDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659191 250161381 /nfs/dbraw/zinc/16/13/81/250161381.db2.gz CNBPWLVCVZJLIN-WCBMZHEXSA-N 1 2 276.296 1.426 20 5 CDBDLO Cc1nc(N[C@H](c2[nH+]ccn2C)C2CC2)ncc1[N+](=O)[O-] ZINC000450531488 251325782 /nfs/dbraw/zinc/32/57/82/251325782.db2.gz UENYCPXXYLHIEZ-NSHDSACASA-N 1 2 288.311 1.990 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]c[nH]1)CCO2 ZINC000352703581 285142600 /nfs/dbraw/zinc/14/26/00/285142600.db2.gz CALRTDBLBWMLRW-UHFFFAOYSA-N 1 2 274.280 1.713 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH]c[nH+]1)CCO2 ZINC000352703581 285142601 /nfs/dbraw/zinc/14/26/01/285142601.db2.gz CALRTDBLBWMLRW-UHFFFAOYSA-N 1 2 274.280 1.713 20 5 CDBDLO COc1cc(C(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000190200340 130073104 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O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449647961 393137822 /nfs/dbraw/zinc/13/78/22/393137822.db2.gz QYYHODRPMRFSFD-SNVBAGLBSA-N 1 2 299.277 1.569 20 5 CDBDLO Cc1cc(=O)n(Cc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000092803088 147026037 /nfs/dbraw/zinc/02/60/37/147026037.db2.gz GHTWCBYHPOCFRR-UHFFFAOYSA-N 1 2 260.253 1.090 20 5 CDBDLO O=[N+]([O-])c1ccc(OCCC[NH+]2CCS(=O)CC2)cc1 ZINC000111224256 147251067 /nfs/dbraw/zinc/25/10/67/147251067.db2.gz BSYIZPUBTXSZHB-UHFFFAOYSA-N 1 2 298.364 1.428 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1[nH]cc[nH+]1 ZINC000117800402 147290687 /nfs/dbraw/zinc/29/06/87/147290687.db2.gz OYHZEZHKUOXYPW-UHFFFAOYSA-N 1 2 294.698 1.830 20 5 CDBDLO Cn1cc([C@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000358793029 158029193 /nfs/dbraw/zinc/02/91/93/158029193.db2.gz UBEMALHSRQPZEU-LBPRGKRZSA-N 1 2 294.286 1.291 20 5 CDBDLO O=[N+]([O-])c1c(F)cccc1NCC[NH+]1CCOCC1 ZINC000037420738 173197755 /nfs/dbraw/zinc/19/77/55/173197755.db2.gz ZDODFNLFSQWTPZ-UHFFFAOYSA-N 1 2 269.276 1.478 20 5 CDBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000071140357 176038324 /nfs/dbraw/zinc/03/83/24/176038324.db2.gz QICZDBRZCCYWTJ-UHFFFAOYSA-N 1 2 277.240 1.849 20 5 CDBDLO CC(C)(NC(=O)Cc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000571053676 294360660 /nfs/dbraw/zinc/36/06/60/294360660.db2.gz AVKNQFUQKPENRU-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO CNc1c(C(=O)NCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000161503164 522539732 /nfs/dbraw/zinc/53/97/32/522539732.db2.gz XLXKCBARIKHPMV-UHFFFAOYSA-N 1 2 275.268 1.290 20 5 CDBDLO CNc1c(C(=O)NCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000161503164 522539744 /nfs/dbraw/zinc/53/97/44/522539744.db2.gz XLXKCBARIKHPMV-UHFFFAOYSA-N 1 2 275.268 1.290 20 5 CDBDLO Cc1cccn2cc(CNc3c([N+](=O)[O-])ncn3C)[nH+]c12 ZINC000340891155 525472221 /nfs/dbraw/zinc/47/22/21/525472221.db2.gz VKHXVVRJWAZFBB-UHFFFAOYSA-N 1 2 286.295 1.897 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000061710210 527355280 /nfs/dbraw/zinc/35/52/80/527355280.db2.gz IJOZFLLEPMWOKP-SNVBAGLBSA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000061710210 527355285 /nfs/dbraw/zinc/35/52/85/527355285.db2.gz IJOZFLLEPMWOKP-SNVBAGLBSA-N 1 2 256.689 1.815 20 5 CDBDLO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000755145879 575106902 /nfs/dbraw/zinc/10/69/02/575106902.db2.gz BDEJEMGTNWZJLV-QPUJVOFHSA-N 1 2 292.295 1.670 20 5 CDBDLO C[N@H+](CCOC(C)(C)C)Cn1nccc1[N+](=O)[O-] ZINC000767772225 576227819 /nfs/dbraw/zinc/22/78/19/576227819.db2.gz PZNDBEHRDUTIOY-UHFFFAOYSA-N 1 2 256.306 1.496 20 5 CDBDLO C[N@@H+](CCOC(C)(C)C)Cn1nccc1[N+](=O)[O-] ZINC000767772225 576227821 /nfs/dbraw/zinc/22/78/21/576227821.db2.gz PZNDBEHRDUTIOY-UHFFFAOYSA-N 1 2 256.306 1.496 20 5 CDBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000759421321 576387663 /nfs/dbraw/zinc/38/76/63/576387663.db2.gz CGHPSPWDLGNZGQ-LLVKDONJSA-N 1 2 283.715 1.569 20 5 CDBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000759421321 576387667 /nfs/dbraw/zinc/38/76/67/576387667.db2.gz CGHPSPWDLGNZGQ-LLVKDONJSA-N 1 2 283.715 1.569 20 5 CDBDLO C[S@](=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000741748957 576570912 /nfs/dbraw/zinc/57/09/12/576570912.db2.gz LCVVWNDBDGYILC-FQEVSTJZSA-N 1 2 297.380 1.095 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000748323427 576905532 /nfs/dbraw/zinc/90/55/32/576905532.db2.gz ZNDQSOKKJPSVMD-UHFFFAOYSA-N 1 2 291.223 1.156 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000748323427 576905534 /nfs/dbraw/zinc/90/55/34/576905534.db2.gz ZNDQSOKKJPSVMD-UHFFFAOYSA-N 1 2 291.223 1.156 20 5 CDBDLO Cc1nn(Cc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000754886535 576920965 /nfs/dbraw/zinc/92/09/65/576920965.db2.gz YKYPPBYLYSULKJ-UHFFFAOYSA-N 1 2 261.285 1.609 20 5 CDBDLO O=[N+]([O-])c1c(N2CC(n3cc[nH+]c3)C2)nc2ccccn21 ZINC000759059708 577150016 /nfs/dbraw/zinc/15/00/16/577150016.db2.gz ZYSGCXGXBQXMOA-UHFFFAOYSA-N 1 2 284.279 1.500 20 5 CDBDLO C[NH+](C)C1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000896142401 620000592 /nfs/dbraw/zinc/00/05/92/620000592.db2.gz GRQMQXARQKSMNJ-UHFFFAOYSA-N 1 2 289.295 1.514 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC000896649983 620181933 /nfs/dbraw/zinc/18/19/33/620181933.db2.gz AMYPSCHVFQHAMS-UHFFFAOYSA-N 1 2 291.286 1.908 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1ccc(F)cc1Br ZINC000899873040 622503094 /nfs/dbraw/zinc/50/30/94/622503094.db2.gz GVCILWZXKHDSCQ-UHFFFAOYSA-N 1 2 277.093 1.955 20 5 CDBDLO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840334751 823807623 /nfs/dbraw/zinc/80/76/23/823807623.db2.gz GGVIPPJWWHORCM-OUCADQQQSA-N 1 2 289.335 1.171 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000930602304 823816130 /nfs/dbraw/zinc/81/61/30/823816130.db2.gz PPBPILGOIYPLGK-UHFFFAOYSA-N 1 2 285.294 1.754 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000930602304 823816133 /nfs/dbraw/zinc/81/61/33/823816133.db2.gz PPBPILGOIYPLGK-UHFFFAOYSA-N 1 2 285.294 1.754 20 5 CDBDLO Cc1c(C[NH2+]Cc2nnnn2C2CC2)cccc1[N+](=O)[O-] ZINC000873065164 824283784 /nfs/dbraw/zinc/28/37/84/824283784.db2.gz OFWXJWGOGCGMQL-UHFFFAOYSA-N 1 2 288.311 1.514 20 5 CDBDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000932641202 824323870 /nfs/dbraw/zinc/32/38/70/824323870.db2.gz GJIYHIAGIQARNA-SECBINFHSA-N 1 2 283.284 1.276 20 5 CDBDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000932641202 824323876 /nfs/dbraw/zinc/32/38/76/824323876.db2.gz GJIYHIAGIQARNA-SECBINFHSA-N 1 2 283.284 1.276 20 5 CDBDLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852287832 824825207 /nfs/dbraw/zinc/82/52/07/824825207.db2.gz HKMVZVHIIKCGSN-CYBMUJFWSA-N 1 2 276.296 1.483 20 5 CDBDLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852287832 824825211 /nfs/dbraw/zinc/82/52/11/824825211.db2.gz HKMVZVHIIKCGSN-CYBMUJFWSA-N 1 2 276.296 1.483 20 5 CDBDLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852287832 824825212 /nfs/dbraw/zinc/82/52/12/824825212.db2.gz HKMVZVHIIKCGSN-CYBMUJFWSA-N 1 2 276.296 1.483 20 5 CDBDLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852287832 824825214 /nfs/dbraw/zinc/82/52/14/824825214.db2.gz HKMVZVHIIKCGSN-CYBMUJFWSA-N 1 2 276.296 1.483 20 5 CDBDLO CC(C)O[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000844716109 824855389 /nfs/dbraw/zinc/85/53/89/824855389.db2.gz HLECRRDKTMFLOX-NSHDSACASA-N 1 2 268.317 1.638 20 5 CDBDLO CC(C)O[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000844716109 824855391 /nfs/dbraw/zinc/85/53/91/824855391.db2.gz HLECRRDKTMFLOX-NSHDSACASA-N 1 2 268.317 1.638 20 5 CDBDLO C[C@@H](COC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N+](=O)[O-] ZINC000835454984 824958243 /nfs/dbraw/zinc/95/82/43/824958243.db2.gz LURZHXIPQFUQOC-NSHDSACASA-N 1 2 289.291 1.753 20 5 CDBDLO Cc1c(C[NH2+][C@@H](C)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000873112781 825643044 /nfs/dbraw/zinc/64/30/44/825643044.db2.gz GXNSUJMXVUPEAZ-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000840125367 825949034 /nfs/dbraw/zinc/94/90/34/825949034.db2.gz OAAPESKPFOBACT-NSHDSACASA-N 1 2 268.317 1.496 20 5 CDBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000840125367 825949052 /nfs/dbraw/zinc/94/90/52/825949052.db2.gz OAAPESKPFOBACT-NSHDSACASA-N 1 2 268.317 1.496 20 5 CDBDLO C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000121592233 827749408 /nfs/dbraw/zinc/74/94/08/827749408.db2.gz FUKDZPSNMUDJCO-NEPJUHHUSA-N 1 2 290.327 1.528 20 5 CDBDLO CC[NH+]1CC(OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223293414 901168883 /nfs/dbraw/zinc/16/88/83/901168883.db2.gz OTRLDYKNCYNIOF-UHFFFAOYSA-N 1 2 294.307 1.602 20 5 CDBDLO O=C(Cc1[nH]cc[nH+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093829439 910169298 /nfs/dbraw/zinc/16/92/98/910169298.db2.gz KKKPHDCMIPGLOJ-UHFFFAOYSA-N 1 2 289.295 1.089 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879892 942720772 /nfs/dbraw/zinc/72/07/72/942720772.db2.gz VDVNNFKQFPJDAC-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879892 942720775 /nfs/dbraw/zinc/72/07/75/942720775.db2.gz VDVNNFKQFPJDAC-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCn3cnnc3C1)C2 ZINC001254600254 947551115 /nfs/dbraw/zinc/55/11/15/947551115.db2.gz RJKHLKHNETWDTL-ZDUSSCGKSA-N 1 2 285.307 1.169 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCn3cnnc3C1)C2 ZINC001254600254 947551124 /nfs/dbraw/zinc/55/11/24/947551124.db2.gz RJKHLKHNETWDTL-ZDUSSCGKSA-N 1 2 285.307 1.169 20 5 CDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])s1 ZINC000588070137 342492194 /nfs/dbraw/zinc/49/21/94/342492194.db2.gz AZCLRCLRPSJYIJ-GHMZBOCLSA-N 1 2 297.380 1.956 20 5 CDBDLO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235316234 342049205 /nfs/dbraw/zinc/04/92/05/342049205.db2.gz XDNGBPNMKIZPQS-CBAPKCEASA-N 1 2 265.269 1.237 20 5 CDBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000592127838 342667333 /nfs/dbraw/zinc/66/73/33/342667333.db2.gz BZVKFOCQRQCCRG-BXKDBHETSA-N 1 2 294.307 1.541 20 5 CDBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000592127838 342667334 /nfs/dbraw/zinc/66/73/34/342667334.db2.gz BZVKFOCQRQCCRG-BXKDBHETSA-N 1 2 294.307 1.541 20 5 CDBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340588715 361869214 /nfs/dbraw/zinc/86/92/14/361869214.db2.gz UZJJNJBRGRRPHJ-UHFFFAOYSA-N 1 2 299.290 1.543 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000091898657 342409045 /nfs/dbraw/zinc/40/90/45/342409045.db2.gz UJQVXDRDVYVSNE-YGRLFVJLSA-N 1 2 280.324 1.893 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000091898657 342409046 /nfs/dbraw/zinc/40/90/46/342409046.db2.gz UJQVXDRDVYVSNE-YGRLFVJLSA-N 1 2 280.324 1.893 20 5 CDBDLO CCc1n[nH]c(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598459757 343804847 /nfs/dbraw/zinc/80/48/47/343804847.db2.gz LZMSSQHXDMULOR-ZETCQYMHSA-N 1 2 292.299 1.105 20 5 CDBDLO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000314453810 344912284 /nfs/dbraw/zinc/91/22/84/344912284.db2.gz DVOPCCQIDLRDIY-GXSJLCMTSA-N 1 2 293.323 1.465 20 5 CDBDLO Cn1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000289953739 362552630 /nfs/dbraw/zinc/55/26/30/362552630.db2.gz BYZPEEBLJGQRCC-UHFFFAOYSA-N 1 2 281.703 1.667 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1cccnc1[N+](=O)[O-] ZINC000610856435 346470330 /nfs/dbraw/zinc/47/03/30/346470330.db2.gz MHOVNNDRTDKGGF-UHFFFAOYSA-N 1 2 261.285 1.713 20 5 CDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000611252051 346718609 /nfs/dbraw/zinc/71/86/09/346718609.db2.gz BQUPUZHORVTTGK-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO CN(C)C(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029924685 348674396 /nfs/dbraw/zinc/67/43/96/348674396.db2.gz WHLAHBYEWXHOAZ-UHFFFAOYSA-N 1 2 292.339 1.394 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153760419 188101619 /nfs/dbraw/zinc/10/16/19/188101619.db2.gz KQOGDAJVGGAEDX-LLVKDONJSA-N 1 2 288.307 1.857 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156479294 188264076 /nfs/dbraw/zinc/26/40/76/188264076.db2.gz WENHWLGYTPAJKG-CYBMUJFWSA-N 1 2 277.324 1.348 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156479294 188264077 /nfs/dbraw/zinc/26/40/77/188264077.db2.gz WENHWLGYTPAJKG-CYBMUJFWSA-N 1 2 277.324 1.348 20 5 CDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282209 188307631 /nfs/dbraw/zinc/30/76/31/188307631.db2.gz FIHNZNGXTTVEOU-WCQYABFASA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282209 188307633 /nfs/dbraw/zinc/30/76/33/188307633.db2.gz FIHNZNGXTTVEOU-WCQYABFASA-N 1 2 280.324 1.567 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1c[nH+]c[nH]1 ZINC000358412625 355951346 /nfs/dbraw/zinc/95/13/46/355951346.db2.gz MTKFXSAUAZAUGG-UHFFFAOYSA-N 1 2 278.243 1.316 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1c[nH]c[nH+]1 ZINC000358412625 355951347 /nfs/dbraw/zinc/95/13/47/355951347.db2.gz MTKFXSAUAZAUGG-UHFFFAOYSA-N 1 2 278.243 1.316 20 5 CDBDLO CC[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000047867196 357167181 /nfs/dbraw/zinc/16/71/81/357167181.db2.gz JOUXVLBPDPZOOS-UHFFFAOYSA-N 1 2 252.270 1.590 20 5 CDBDLO CC[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000047867196 357167185 /nfs/dbraw/zinc/16/71/85/357167185.db2.gz JOUXVLBPDPZOOS-UHFFFAOYSA-N 1 2 252.270 1.590 20 5 CDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408068167 357803838 /nfs/dbraw/zinc/80/38/38/357803838.db2.gz HGMVUGFNIOOCPC-RKDXNWHRSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408068167 357803841 /nfs/dbraw/zinc/80/38/41/357803841.db2.gz HGMVUGFNIOOCPC-RKDXNWHRSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1C ZINC000262413831 358820952 /nfs/dbraw/zinc/82/09/52/358820952.db2.gz QUTSUXQAZOYGJK-RKDXNWHRSA-N 1 2 279.296 1.123 20 5 CDBDLO COc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC000353136521 359363204 /nfs/dbraw/zinc/36/32/04/359363204.db2.gz ARNZUMGDYUHYFX-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO Cn1c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000347935903 359953304 /nfs/dbraw/zinc/95/33/04/359953304.db2.gz MNELNQBALXOLCW-SECBINFHSA-N 1 2 289.295 1.634 20 5 CDBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154771412 360386246 /nfs/dbraw/zinc/38/62/46/360386246.db2.gz BGUCFJQLXIYTTH-KOLCDFICSA-N 1 2 266.301 1.121 20 5 CDBDLO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154771412 360386249 /nfs/dbraw/zinc/38/62/49/360386249.db2.gz BGUCFJQLXIYTTH-KOLCDFICSA-N 1 2 266.301 1.121 20 5 CDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000358187852 360806487 /nfs/dbraw/zinc/80/64/87/360806487.db2.gz KIMOASMVNHUDPT-UHFFFAOYSA-N 1 2 290.254 1.586 20 5 CDBDLO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000370939149 361704618 /nfs/dbraw/zinc/70/46/18/361704618.db2.gz KHARUFXVMLSPHZ-BXKDBHETSA-N 1 2 287.279 1.179 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000367604133 364001239 /nfs/dbraw/zinc/00/12/39/364001239.db2.gz RTKJVABBQVQHHJ-CABCVRRESA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000367604133 364001240 /nfs/dbraw/zinc/00/12/40/364001240.db2.gz RTKJVABBQVQHHJ-CABCVRRESA-N 1 2 292.335 1.975 20 5 CDBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC(O)C1 ZINC000351979187 367122546 /nfs/dbraw/zinc/12/25/46/367122546.db2.gz JXZQSVDOLTVHAU-UHFFFAOYSA-N 1 2 272.251 1.828 20 5 CDBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC(O)C1 ZINC000351979187 367122553 /nfs/dbraw/zinc/12/25/53/367122553.db2.gz JXZQSVDOLTVHAU-UHFFFAOYSA-N 1 2 272.251 1.828 20 5 CDBDLO Cc1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000331887856 204263821 /nfs/dbraw/zinc/26/38/21/204263821.db2.gz HBYWPUGDFFOZPJ-UHFFFAOYSA-N 1 2 292.299 1.320 20 5 CDBDLO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001580371845 1172416293 /nfs/dbraw/zinc/41/62/93/1172416293.db2.gz PLZXQVBFVVAAGM-GHMZBOCLSA-N 1 2 279.296 1.300 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000269622478 373200484 /nfs/dbraw/zinc/20/04/84/373200484.db2.gz ITIGRPOYVVJAFU-JTQLQIEISA-N 1 2 298.293 1.285 20 5 CDBDLO CCN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190164539 373330145 /nfs/dbraw/zinc/33/01/45/373330145.db2.gz NEPIUFCIIXYLRM-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO CCN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190164539 373330153 /nfs/dbraw/zinc/33/01/53/373330153.db2.gz NEPIUFCIIXYLRM-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO Cc1c(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000423817804 246114189 /nfs/dbraw/zinc/11/41/89/246114189.db2.gz ZRXXMIVNZNGMOL-SNVBAGLBSA-N 1 2 299.277 1.517 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000082261958 374601631 /nfs/dbraw/zinc/60/16/31/374601631.db2.gz QIOJXEWSLVJJQL-UHFFFAOYSA-N 1 2 260.253 1.258 20 5 CDBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000353005130 375563083 /nfs/dbraw/zinc/56/30/83/375563083.db2.gz BZNZXYBGHSYFCY-UHFFFAOYSA-N 1 2 254.261 1.691 20 5 CDBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000353005130 375563088 /nfs/dbraw/zinc/56/30/88/375563088.db2.gz BZNZXYBGHSYFCY-UHFFFAOYSA-N 1 2 254.261 1.691 20 5 CDBDLO C[C@@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000354621747 375733469 /nfs/dbraw/zinc/73/34/69/375733469.db2.gz YTJHRKMULTZRHW-BXKDBHETSA-N 1 2 293.323 1.513 20 5 CDBDLO COc1c(C(=O)NCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000355254329 375785068 /nfs/dbraw/zinc/78/50/68/375785068.db2.gz OLZQLXUBXBRUCV-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268491018 296240462 /nfs/dbraw/zinc/24/04/62/296240462.db2.gz VCFKQWLLIKOMNI-NRUUGDAUSA-N 1 2 293.323 1.230 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268491018 296240465 /nfs/dbraw/zinc/24/04/65/296240465.db2.gz VCFKQWLLIKOMNI-NRUUGDAUSA-N 1 2 293.323 1.230 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000278557475 194042308 /nfs/dbraw/zinc/04/23/08/194042308.db2.gz AOZPVNKHGQLHOX-LLVKDONJSA-N 1 2 280.328 1.147 20 5 CDBDLO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000408469273 391660826 /nfs/dbraw/zinc/66/08/26/391660826.db2.gz SAQHIRUIMPRZQB-SKDRFNHKSA-N 1 2 291.307 1.077 20 5 CDBDLO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000408469273 391660828 /nfs/dbraw/zinc/66/08/28/391660828.db2.gz SAQHIRUIMPRZQB-SKDRFNHKSA-N 1 2 291.307 1.077 20 5 CDBDLO Cn1c[nH+]cc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000439521632 391665737 /nfs/dbraw/zinc/66/57/37/391665737.db2.gz VPVTZEBPVKVSSM-UHFFFAOYSA-N 1 2 286.247 1.125 20 5 CDBDLO Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000442688824 392458579 /nfs/dbraw/zinc/45/85/79/392458579.db2.gz MPCFFEMEKNOKLG-UHFFFAOYSA-N 1 2 261.241 1.582 20 5 CDBDLO O=[N+]([O-])c1cccnc1SCCn1cc[nH+]c1 ZINC000090201362 139682769 /nfs/dbraw/zinc/68/27/69/139682769.db2.gz UIMXGGUYDYFPMB-UHFFFAOYSA-N 1 2 250.283 1.979 20 5 CDBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000191778096 397676170 /nfs/dbraw/zinc/67/61/70/397676170.db2.gz OGTRGVYEVDYXSY-MFKMUULPSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000191778096 397676173 /nfs/dbraw/zinc/67/61/73/397676173.db2.gz OGTRGVYEVDYXSY-MFKMUULPSA-N 1 2 280.324 1.485 20 5 CDBDLO Cn1c[nH+]cc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000353776511 156077789 /nfs/dbraw/zinc/07/77/89/156077789.db2.gz KMIQPSWZEUXLRK-UHFFFAOYSA-N 1 2 268.660 1.192 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000355947637 157295048 /nfs/dbraw/zinc/29/50/48/157295048.db2.gz TVAQYBXXFJTZRW-CYBMUJFWSA-N 1 2 290.323 1.494 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000355947637 157295051 /nfs/dbraw/zinc/29/50/51/157295051.db2.gz TVAQYBXXFJTZRW-CYBMUJFWSA-N 1 2 290.323 1.494 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000044326803 175163189 /nfs/dbraw/zinc/16/31/89/175163189.db2.gz CNBJEJLWTHNFNZ-UHFFFAOYSA-N 1 2 266.282 1.283 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044535662 175198337 /nfs/dbraw/zinc/19/83/37/175198337.db2.gz PLRGRVCQYPVLJV-SECBINFHSA-N 1 2 299.352 1.107 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071140264 176038291 /nfs/dbraw/zinc/03/82/91/176038291.db2.gz HHAWVRSZTWXJAY-UHFFFAOYSA-N 1 2 294.698 1.912 20 5 CDBDLO Nc1nc(Oc2cccc(-n3cc[nH+]c3)c2)ncc1[N+](=O)[O-] ZINC000072291261 176361953 /nfs/dbraw/zinc/36/19/53/176361953.db2.gz MNYRZIRVZDNXCY-UHFFFAOYSA-N 1 2 298.262 1.945 20 5 CDBDLO COC(=O)[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000371587046 277124463 /nfs/dbraw/zinc/12/44/63/277124463.db2.gz ZOXWQADBXQVNOY-GFCCVEGCSA-N 1 2 296.327 1.209 20 5 CDBDLO COC(=O)[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000371587046 277124465 /nfs/dbraw/zinc/12/44/65/277124465.db2.gz ZOXWQADBXQVNOY-GFCCVEGCSA-N 1 2 296.327 1.209 20 5 CDBDLO COC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049332288 279172550 /nfs/dbraw/zinc/17/25/50/279172550.db2.gz HLLQXRZHXUPMAK-UHFFFAOYSA-N 1 2 279.296 1.479 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000134496645 279780125 /nfs/dbraw/zinc/78/01/25/279780125.db2.gz KARPJKZCNCVRBL-UHFFFAOYSA-N 1 2 260.253 1.290 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000061708682 280358073 /nfs/dbraw/zinc/35/80/73/280358073.db2.gz OROAIAPYSBMZID-JTQLQIEISA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000061708682 280358076 /nfs/dbraw/zinc/35/80/76/280358076.db2.gz OROAIAPYSBMZID-JTQLQIEISA-N 1 2 256.689 1.815 20 5 CDBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])o1 ZINC000522189243 281091684 /nfs/dbraw/zinc/09/16/84/281091684.db2.gz OIJWULCBQFPOFR-UHFFFAOYSA-N 1 2 278.268 1.595 20 5 CDBDLO NC(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255723977 289384622 /nfs/dbraw/zinc/38/46/22/289384622.db2.gz YMTKGUHMDVEMRP-ACVFHECNSA-N 1 2 275.308 1.558 20 5 CDBDLO NC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255723977 289384627 /nfs/dbraw/zinc/38/46/27/289384627.db2.gz YMTKGUHMDVEMRP-ACVFHECNSA-N 1 2 275.308 1.558 20 5 CDBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000554081825 290144047 /nfs/dbraw/zinc/14/40/47/290144047.db2.gz IXUOCBGPNINEGZ-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000367649885 303844860 /nfs/dbraw/zinc/84/48/60/303844860.db2.gz AOWSHFSGLZRPCD-SNVBAGLBSA-N 1 2 279.296 1.172 20 5 CDBDLO C[NH+]1CCN(C(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337919189 523876168 /nfs/dbraw/zinc/87/61/68/523876168.db2.gz WQBBWHUYGXPKAY-UHFFFAOYSA-N 1 2 295.364 1.461 20 5 CDBDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339217529 525449923 /nfs/dbraw/zinc/44/99/23/525449923.db2.gz YTBQBBXIEGAVSB-BXKDBHETSA-N 1 2 266.297 1.646 20 5 CDBDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339217529 525449928 /nfs/dbraw/zinc/44/99/28/525449928.db2.gz YTBQBBXIEGAVSB-BXKDBHETSA-N 1 2 266.297 1.646 20 5 CDBDLO NC(=O)CCn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000049240969 526877649 /nfs/dbraw/zinc/87/76/49/526877649.db2.gz RCWQJZJBAJXAOI-UHFFFAOYSA-N 1 2 260.253 1.334 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000052722615 527491162 /nfs/dbraw/zinc/49/11/62/527491162.db2.gz LGZBFYHBUCLORQ-UHFFFAOYSA-N 1 2 262.273 1.247 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)nc2c1 ZINC000769792499 575384708 /nfs/dbraw/zinc/38/47/08/575384708.db2.gz YDCVHGCFRZIEBP-OTYXRUKQSA-N 1 2 288.307 1.285 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)nc2c1 ZINC000769792499 575384712 /nfs/dbraw/zinc/38/47/12/575384712.db2.gz YDCVHGCFRZIEBP-OTYXRUKQSA-N 1 2 288.307 1.285 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CCO2)CC1 ZINC000799957121 618401178 /nfs/dbraw/zinc/40/11/78/618401178.db2.gz AJLDICQCZSBPLK-UHFFFAOYSA-N 1 2 252.274 1.004 20 5 CDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCCCC1 ZINC000044756133 630559501 /nfs/dbraw/zinc/55/95/01/630559501.db2.gz JXNWZKBMCIKYMH-UHFFFAOYSA-N 1 2 277.280 1.946 20 5 CDBDLO CC[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]C1 ZINC000234086584 1178213509 /nfs/dbraw/zinc/21/35/09/1178213509.db2.gz IXGBOOOEJIMHNJ-ZDUSSCGKSA-N 1 2 279.296 1.629 20 5 CDBDLO CCOC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000060445572 829063116 /nfs/dbraw/zinc/06/31/16/829063116.db2.gz YTECLNQCJDTNFH-UHFFFAOYSA-N 1 2 282.344 1.867 20 5 CDBDLO CO[C@@H](C)C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795748127 829769587 /nfs/dbraw/zinc/76/95/87/829769587.db2.gz KZWTUUKAYCJJNO-VIFPVBQESA-N 1 2 295.295 1.427 20 5 CDBDLO CO[C@@H](C)C[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000795748127 829769602 /nfs/dbraw/zinc/76/96/02/829769602.db2.gz KZWTUUKAYCJJNO-VIFPVBQESA-N 1 2 295.295 1.427 20 5 CDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000786984227 832757591 /nfs/dbraw/zinc/75/75/91/832757591.db2.gz SKYNNMDSYYJXSL-UHFFFAOYSA-N 1 2 287.279 1.071 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000778942061 832807272 /nfs/dbraw/zinc/80/72/72/832807272.db2.gz FJBSOMUCJJBWIR-NSHDSACASA-N 1 2 277.324 1.786 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000778942061 832807273 /nfs/dbraw/zinc/80/72/73/832807273.db2.gz FJBSOMUCJJBWIR-NSHDSACASA-N 1 2 277.324 1.786 20 5 CDBDLO O=C(CC[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000261633138 833476952 /nfs/dbraw/zinc/47/69/52/833476952.db2.gz BOWVORAGEHYVDN-SECBINFHSA-N 1 2 279.296 1.771 20 5 CDBDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC000816889303 834161819 /nfs/dbraw/zinc/16/18/19/834161819.db2.gz SSJWZGAOPIUDLX-UHFFFAOYSA-N 1 2 260.253 1.177 20 5 CDBDLO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544430 834494492 /nfs/dbraw/zinc/49/44/92/834494492.db2.gz QPKNXNDELOCSQM-XJFOESAGSA-N 1 2 293.367 1.293 20 5 CDBDLO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544430 834494521 /nfs/dbraw/zinc/49/45/21/834494521.db2.gz QPKNXNDELOCSQM-XJFOESAGSA-N 1 2 293.367 1.293 20 5 CDBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000784005572 834835780 /nfs/dbraw/zinc/83/57/80/834835780.db2.gz OOXHNKFSEZETTF-LBPRGKRZSA-N 1 2 280.328 1.497 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006185 927609585 /nfs/dbraw/zinc/60/95/85/927609585.db2.gz FVRDRICHVGJROK-UTLUCORTSA-N 1 2 264.272 1.134 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006185 927609594 /nfs/dbraw/zinc/60/95/94/927609594.db2.gz FVRDRICHVGJROK-UTLUCORTSA-N 1 2 264.272 1.134 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038191 927646485 /nfs/dbraw/zinc/64/64/85/927646485.db2.gz WNFWZVWYHVJNAQ-ZYHUDNBSSA-N 1 2 291.355 1.417 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038191 927646491 /nfs/dbraw/zinc/64/64/91/927646491.db2.gz WNFWZVWYHVJNAQ-ZYHUDNBSSA-N 1 2 291.355 1.417 20 5 CDBDLO CN(C)c1ccc(NC[C@@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001169656878 928299489 /nfs/dbraw/zinc/29/94/89/928299489.db2.gz OJMCDTGYEBWWED-GFCCVEGCSA-N 1 2 294.355 1.403 20 5 CDBDLO CN(C)c1ccc(NC[C@@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001169656878 928299500 /nfs/dbraw/zinc/29/95/00/928299500.db2.gz OJMCDTGYEBWWED-GFCCVEGCSA-N 1 2 294.355 1.403 20 5 CDBDLO CCN(c1ncc(Cl)cc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157453327 938493770 /nfs/dbraw/zinc/49/37/70/938493770.db2.gz BUZLDSPMVJLSSC-UHFFFAOYSA-N 1 2 270.720 1.784 20 5 CDBDLO CCN(c1cc(OC)c([N+](=O)[O-])cn1)C1C[NH+](C)C1 ZINC001157455393 938494403 /nfs/dbraw/zinc/49/44/03/938494403.db2.gz JJPIWQDUXRPPSU-UHFFFAOYSA-N 1 2 266.301 1.139 20 5 CDBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC001164304616 939449134 /nfs/dbraw/zinc/44/91/34/939449134.db2.gz AWZXENCZJKLTDH-CPCISQLKSA-N 1 2 299.714 1.564 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218233252 941047171 /nfs/dbraw/zinc/04/71/71/941047171.db2.gz YLPJBZZRSCENJN-SECBINFHSA-N 1 2 258.224 1.889 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226132056 941955214 /nfs/dbraw/zinc/95/52/14/941955214.db2.gz VOGCUWZFCYZSEM-SECBINFHSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226132056 941955215 /nfs/dbraw/zinc/95/52/15/941955215.db2.gz VOGCUWZFCYZSEM-SECBINFHSA-N 1 2 287.703 1.353 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](C)CCO1 ZINC001226971311 942103660 /nfs/dbraw/zinc/10/36/60/942103660.db2.gz 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298.343 1.357 20 5 CDBDLO O=C1OCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494035470 390862516 /nfs/dbraw/zinc/86/25/16/390862516.db2.gz YSVUQDWVLMSKPU-ZDUSSCGKSA-N 1 2 291.307 1.621 20 5 CDBDLO O=C1OCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494035470 390862517 /nfs/dbraw/zinc/86/25/17/390862517.db2.gz YSVUQDWVLMSKPU-ZDUSSCGKSA-N 1 2 291.307 1.621 20 5 CDBDLO NC(=O)c1cccc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000439135418 391427565 /nfs/dbraw/zinc/42/75/65/391427565.db2.gz VNRMWDRDSIWFGN-UHFFFAOYSA-N 1 2 289.295 1.392 20 5 CDBDLO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000262275130 131207878 /nfs/dbraw/zinc/20/78/78/131207878.db2.gz WICVNPMFJIIGOK-VIFPVBQESA-N 1 2 293.323 1.500 20 5 CDBDLO Cc1noc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595402978 392565377 /nfs/dbraw/zinc/56/53/77/392565377.db2.gz HKALBMNBHCUUMF-SNVBAGLBSA-N 1 2 294.311 1.088 20 5 CDBDLO Cc1noc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595402978 392565382 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CDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000093631664 147057997 /nfs/dbraw/zinc/05/79/97/147057997.db2.gz QAVRVHFDZUELJV-UHFFFAOYSA-N 1 2 280.671 1.901 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000093631664 147058003 /nfs/dbraw/zinc/05/80/03/147058003.db2.gz QAVRVHFDZUELJV-UHFFFAOYSA-N 1 2 280.671 1.901 20 5 CDBDLO O=[N+]([O-])c1cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1C1CC1 ZINC000375525680 160389527 /nfs/dbraw/zinc/38/95/27/160389527.db2.gz MRRSILHUCOFCFK-TXEJJXNPSA-N 1 2 292.339 1.532 20 5 CDBDLO O=[N+]([O-])c1cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1C1CC1 ZINC000375525680 160389529 /nfs/dbraw/zinc/38/95/29/160389529.db2.gz MRRSILHUCOFCFK-TXEJJXNPSA-N 1 2 292.339 1.532 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccccc1 ZINC000355805565 157245533 /nfs/dbraw/zinc/24/55/33/157245533.db2.gz VBCVFLIGXYICGQ-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccccc1 ZINC000355805565 157245539 /nfs/dbraw/zinc/24/55/39/157245539.db2.gz VBCVFLIGXYICGQ-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)ccc1[N+](=O)[O-] ZINC000359480566 158260320 /nfs/dbraw/zinc/26/03/20/158260320.db2.gz IZTYGCUVYQKKIU-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000391939056 265030768 /nfs/dbraw/zinc/03/07/68/265030768.db2.gz ZUTLAPCDGWBEMY-JTQLQIEISA-N 1 2 291.311 1.453 20 5 CDBDLO CNc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000096475288 265367785 /nfs/dbraw/zinc/36/77/85/265367785.db2.gz GVWZQYANZDUPBP-UHFFFAOYSA-N 1 2 289.295 1.632 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O)CC1 ZINC000330564976 280369254 /nfs/dbraw/zinc/36/92/54/280369254.db2.gz FTKPVGZEDOOFTJ-UHFFFAOYSA-N 1 2 252.270 1.257 20 5 CDBDLO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262271288 298971171 /nfs/dbraw/zinc/97/11/71/298971171.db2.gz VVHCETMBGRATSQ-ONGXEEELSA-N 1 2 293.323 1.642 20 5 CDBDLO Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000576337416 317119984 /nfs/dbraw/zinc/11/99/84/317119984.db2.gz HXBBRYPIVMXFMB-UHFFFAOYSA-N 1 2 282.281 1.427 20 5 CDBDLO CC[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC[NH2+]1 ZINC000234086539 523543870 /nfs/dbraw/zinc/54/38/70/523543870.db2.gz OFBMJUOKOQKBNA-CYBMUJFWSA-N 1 2 279.296 1.771 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000054777332 526473867 /nfs/dbraw/zinc/47/38/67/526473867.db2.gz BHTHVQJSUWPDAB-UHFFFAOYSA-N 1 2 278.243 1.360 20 5 CDBDLO C[C@@H]1COCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000769770402 575382591 /nfs/dbraw/zinc/38/25/91/575382591.db2.gz KUNKNPBTYRDBPM-JTQLQIEISA-N 1 2 290.323 1.939 20 5 CDBDLO C[C@@H]1COCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000769770402 575382594 /nfs/dbraw/zinc/38/25/94/575382594.db2.gz KUNKNPBTYRDBPM-JTQLQIEISA-N 1 2 290.323 1.939 20 5 CDBDLO CCOC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000918731113 632433508 /nfs/dbraw/zinc/43/35/08/632433508.db2.gz IBGHKFUGZULFGU-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580760992 1172533876 /nfs/dbraw/zinc/53/38/76/1172533876.db2.gz DSHZSTXWZBCJKX-SBMIAAHKSA-N 1 2 277.280 1.094 20 5 CDBDLO CS[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840112468 841186827 /nfs/dbraw/zinc/18/68/27/841186827.db2.gz CCJYZNCFYYQMKO-SECBINFHSA-N 1 2 256.331 1.495 20 5 CDBDLO CS[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840112468 841186861 /nfs/dbraw/zinc/18/68/61/841186861.db2.gz CCJYZNCFYYQMKO-SECBINFHSA-N 1 2 256.331 1.495 20 5 CDBDLO CCCC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000124406699 841334207 /nfs/dbraw/zinc/33/42/07/841334207.db2.gz QLOPLIXFAHQVKD-UHFFFAOYSA-N 1 2 291.307 1.880 20 5 CDBDLO CCCC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000124406699 841334220 /nfs/dbraw/zinc/33/42/20/841334220.db2.gz QLOPLIXFAHQVKD-UHFFFAOYSA-N 1 2 291.307 1.880 20 5 CDBDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788806704 841379660 /nfs/dbraw/zinc/37/96/60/841379660.db2.gz POLKALJYLDKSTP-VIFPVBQESA-N 1 2 290.327 1.639 20 5 CDBDLO CCCC[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000074172518 841656091 /nfs/dbraw/zinc/65/60/91/841656091.db2.gz ZAQFMNCUMGNYIS-UHFFFAOYSA-N 1 2 291.307 1.880 20 5 CDBDLO CCCC[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000074172518 841656108 /nfs/dbraw/zinc/65/61/08/841656108.db2.gz ZAQFMNCUMGNYIS-UHFFFAOYSA-N 1 2 291.307 1.880 20 5 CDBDLO C[C@@H]1C[NH+](Cn2nccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000863275388 842835023 /nfs/dbraw/zinc/83/50/23/842835023.db2.gz TUFPMLRXEQIYTF-RKDXNWHRSA-N 1 2 274.271 1.972 20 5 CDBDLO Cc1nc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011816 927616774 /nfs/dbraw/zinc/61/67/74/927616774.db2.gz MLKSAGZLBYDPSR-UWVGGRQHSA-N 1 2 254.290 1.255 20 5 CDBDLO Cc1nc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011816 927616783 /nfs/dbraw/zinc/61/67/83/927616783.db2.gz MLKSAGZLBYDPSR-UWVGGRQHSA-N 1 2 254.290 1.255 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)C[NH+]1CCOCC1 ZINC001226760517 942065395 /nfs/dbraw/zinc/06/53/95/942065395.db2.gz AZYPKQBHSYQEDJ-LLVKDONJSA-N 1 2 281.312 1.398 20 5 CDBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC[N+](=O)[O-] ZINC001335816635 960041214 /nfs/dbraw/zinc/04/12/14/960041214.db2.gz XEXAOFAVMQXZOB-UHFFFAOYSA-N 1 2 262.313 1.675 20 5 CDBDLO C[C@@H](C(=O)NCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000589466256 342507169 /nfs/dbraw/zinc/50/71/69/342507169.db2.gz OOSVPTFVJGNIBV-SNVBAGLBSA-N 1 2 288.307 1.748 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342918874 362043555 /nfs/dbraw/zinc/04/35/55/362043555.db2.gz FMBIXOGHDQSHHH-UHFFFAOYSA-N 1 2 285.263 1.729 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1c[nH+]c[nH]1 ZINC000595592487 343095538 /nfs/dbraw/zinc/09/55/38/343095538.db2.gz PGBWAOLVBBWDPH-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1c[nH]c[nH+]1 ZINC000595592487 343095539 /nfs/dbraw/zinc/09/55/39/343095539.db2.gz PGBWAOLVBBWDPH-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000371584541 362165639 /nfs/dbraw/zinc/16/56/39/362165639.db2.gz GGVIPPJWWHORCM-YRGRVCCFSA-N 1 2 289.335 1.171 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092041682 342410155 /nfs/dbraw/zinc/41/01/55/342410155.db2.gz WWTPUABOLHKHJK-AAEUAGOBSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092041682 342410156 /nfs/dbraw/zinc/41/01/56/342410156.db2.gz WWTPUABOLHKHJK-AAEUAGOBSA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000599952729 344156583 /nfs/dbraw/zinc/15/65/83/344156583.db2.gz QYDYGQJKLQNOSE-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000599952729 344156585 /nfs/dbraw/zinc/15/65/85/344156585.db2.gz QYDYGQJKLQNOSE-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO CCn1ncnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000602549635 344463522 /nfs/dbraw/zinc/46/35/22/344463522.db2.gz IXZZRDYEMMZSPS-UHFFFAOYSA-N 1 2 291.311 1.505 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000603842311 344837995 /nfs/dbraw/zinc/83/79/95/344837995.db2.gz QHWNKEWBBLUHDO-UHFFFAOYSA-N 1 2 288.307 1.905 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(O)c1 ZINC000580509380 362825860 /nfs/dbraw/zinc/82/58/60/362825860.db2.gz VELIUCBBSNULPU-UHFFFAOYSA-N 1 2 276.296 1.666 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(O)c1 ZINC000580509380 362825861 /nfs/dbraw/zinc/82/58/61/362825861.db2.gz VELIUCBBSNULPU-UHFFFAOYSA-N 1 2 276.296 1.666 20 5 CDBDLO CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605937 365949911 /nfs/dbraw/zinc/94/99/11/365949911.db2.gz VWBDXZSMYKCBEY-LLVKDONJSA-N 1 2 291.351 1.868 20 5 CDBDLO CCCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605937 365949916 /nfs/dbraw/zinc/94/99/16/365949916.db2.gz VWBDXZSMYKCBEY-LLVKDONJSA-N 1 2 291.351 1.868 20 5 CDBDLO C[C@H](CNc1ccc([N+](=O)[O-])cn1)Cn1cc[nH+]c1 ZINC000060380050 348887596 /nfs/dbraw/zinc/88/75/96/348887596.db2.gz CJIRKQVIUQMMAQ-SNVBAGLBSA-N 1 2 261.285 1.935 20 5 CDBDLO COC(=O)C1(O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271224421 191012991 /nfs/dbraw/zinc/01/29/91/191012991.db2.gz BVUYCOPAZWLWTR-UHFFFAOYSA-N 1 2 294.307 1.095 20 5 CDBDLO Cn1cc[nH+]c1CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000123728636 187106831 /nfs/dbraw/zinc/10/68/31/187106831.db2.gz VDIMAXDIWXXYHN-UHFFFAOYSA-N 1 2 258.281 1.891 20 5 CDBDLO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(F)F ZINC000157870702 188344430 /nfs/dbraw/zinc/34/44/30/188344430.db2.gz ZFWJCSUHXYWJAG-UHFFFAOYSA-N 1 2 262.260 1.768 20 5 CDBDLO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(F)F ZINC000157870702 188344431 /nfs/dbraw/zinc/34/44/31/188344431.db2.gz ZFWJCSUHXYWJAG-UHFFFAOYSA-N 1 2 262.260 1.768 20 5 CDBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000411868794 363369496 /nfs/dbraw/zinc/36/94/96/363369496.db2.gz XKMFWOBHNLMHTF-CYBMUJFWSA-N 1 2 268.288 1.808 20 5 CDBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000411868794 363369502 /nfs/dbraw/zinc/36/95/02/363369502.db2.gz XKMFWOBHNLMHTF-CYBMUJFWSA-N 1 2 268.288 1.808 20 5 CDBDLO COc1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000290611452 357231013 /nfs/dbraw/zinc/23/10/13/357231013.db2.gz FPWGBQFEASRGFX-UHFFFAOYSA-N 1 2 274.280 1.820 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000070978921 357177958 /nfs/dbraw/zinc/17/79/58/357177958.db2.gz JDDSTJPOHTYIBG-UHFFFAOYSA-N 1 2 290.279 1.355 20 5 CDBDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181019850 357303874 /nfs/dbraw/zinc/30/38/74/357303874.db2.gz WVMALHKYUDHZIY-LBPRGKRZSA-N 1 2 298.343 1.359 20 5 CDBDLO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187573557 357781615 /nfs/dbraw/zinc/78/16/15/357781615.db2.gz QBAPSZUWEIUEQM-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187573557 357781619 /nfs/dbraw/zinc/78/16/19/357781619.db2.gz QBAPSZUWEIUEQM-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO COc1ccc(C[N@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000051588503 358904755 /nfs/dbraw/zinc/90/47/55/358904755.db2.gz XGBPPNQHCKNYAN-UHFFFAOYSA-N 1 2 281.312 1.123 20 5 CDBDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000051588503 358904759 /nfs/dbraw/zinc/90/47/59/358904759.db2.gz XGBPPNQHCKNYAN-UHFFFAOYSA-N 1 2 281.312 1.123 20 5 CDBDLO CC(C)[C@H](Nc1ncc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000291272195 358906594 /nfs/dbraw/zinc/90/65/94/358906594.db2.gz ZVYOBTFLMFPUIF-VIFPVBQESA-N 1 2 262.273 1.917 20 5 CDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000103468321 358924095 /nfs/dbraw/zinc/92/40/95/358924095.db2.gz LODSGZXHZURSBY-SNVBAGLBSA-N 1 2 295.364 1.971 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000119884933 359038297 /nfs/dbraw/zinc/03/82/97/359038297.db2.gz DGZRIWNNZSEQHD-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000135485635 358995614 /nfs/dbraw/zinc/99/56/14/358995614.db2.gz NJIJBMFKMAZAMY-UHFFFAOYSA-N 1 2 278.243 1.430 20 5 CDBDLO Nc1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000287718993 359108392 /nfs/dbraw/zinc/10/83/92/359108392.db2.gz LCHKUCWOZFBAKI-UHFFFAOYSA-N 1 2 292.339 1.454 20 5 CDBDLO C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000298310553 200391295 /nfs/dbraw/zinc/39/12/95/200391295.db2.gz PCGGKJGGTUTJTQ-LLVKDONJSA-N 1 2 265.313 1.727 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000178210669 189098557 /nfs/dbraw/zinc/09/85/57/189098557.db2.gz ZZASFBRBXRPTRA-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000178210669 189098558 /nfs/dbraw/zinc/09/85/58/189098558.db2.gz ZZASFBRBXRPTRA-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000178212630 189098567 /nfs/dbraw/zinc/09/85/67/189098567.db2.gz ZSCYLDXAMWFZIX-NWDGAFQWSA-N 1 2 294.355 1.819 20 5 CDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(F)C1 ZINC000345573847 361197039 /nfs/dbraw/zinc/19/70/39/361197039.db2.gz RCJMBNZIDQQNNQ-UHFFFAOYSA-N 1 2 290.254 1.574 20 5 CDBDLO CN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000139784378 374066495 /nfs/dbraw/zinc/06/64/95/374066495.db2.gz XDBCKFOGOGTLAA-UHFFFAOYSA-N 1 2 277.324 1.647 20 5 CDBDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000139784378 374066499 /nfs/dbraw/zinc/06/64/99/374066499.db2.gz XDBCKFOGOGTLAA-UHFFFAOYSA-N 1 2 277.324 1.647 20 5 CDBDLO Cc1nn(C)c(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000114708858 374346221 /nfs/dbraw/zinc/34/62/21/374346221.db2.gz MRKVVXXMPFYOHK-UHFFFAOYSA-N 1 2 290.327 1.946 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375840712 374517650 /nfs/dbraw/zinc/51/76/50/374517650.db2.gz MEYMWJVSAOQDCE-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375840712 374517654 /nfs/dbraw/zinc/51/76/54/374517654.db2.gz MEYMWJVSAOQDCE-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000449346987 374800995 /nfs/dbraw/zinc/80/09/95/374800995.db2.gz PLFAJBGCHGHMKL-UHFFFAOYSA-N 1 2 279.275 1.704 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000280497215 374997684 /nfs/dbraw/zinc/99/76/84/374997684.db2.gz BUGAGLCFVZFLAR-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000280497215 374997689 /nfs/dbraw/zinc/99/76/89/374997689.db2.gz BUGAGLCFVZFLAR-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000280779520 375022274 /nfs/dbraw/zinc/02/22/74/375022274.db2.gz PXFDRUKFSVOOGV-JTQLQIEISA-N 1 2 266.297 1.897 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000280779520 375022283 /nfs/dbraw/zinc/02/22/83/375022283.db2.gz PXFDRUKFSVOOGV-JTQLQIEISA-N 1 2 266.297 1.897 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c(F)c1 ZINC000332540346 375036388 /nfs/dbraw/zinc/03/63/88/375036388.db2.gz KKEXEZBQQYRZKX-CYBMUJFWSA-N 1 2 295.314 1.250 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)c(F)c1 ZINC000332540346 375036390 /nfs/dbraw/zinc/03/63/90/375036390.db2.gz KKEXEZBQQYRZKX-CYBMUJFWSA-N 1 2 295.314 1.250 20 5 CDBDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000351880749 375337542 /nfs/dbraw/zinc/33/75/42/375337542.db2.gz SREFRRWQZRRTMA-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000351880749 375337545 /nfs/dbraw/zinc/33/75/45/375337545.db2.gz SREFRRWQZRRTMA-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493445872 375454048 /nfs/dbraw/zinc/45/40/48/375454048.db2.gz USUDXQZETHFQHA-WDEREUQCSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000493445872 375454054 /nfs/dbraw/zinc/45/40/54/375454054.db2.gz USUDXQZETHFQHA-WDEREUQCSA-N 1 2 291.307 1.792 20 5 CDBDLO COc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000347321922 375547559 /nfs/dbraw/zinc/54/75/59/375547559.db2.gz AYCKGNVBQPNPEU-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO COc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000347321922 375547566 /nfs/dbraw/zinc/54/75/66/375547566.db2.gz AYCKGNVBQPNPEU-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO CCc1n[nH]c(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000444365495 250129643 /nfs/dbraw/zinc/12/96/43/250129643.db2.gz BZZHARWOMAQORW-QMMMGPOBSA-N 1 2 292.299 1.485 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173936766 379345592 /nfs/dbraw/zinc/34/55/92/379345592.db2.gz QFVMLBAIHOJOOM-GFCCVEGCSA-N 1 2 297.380 1.563 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173936766 379345598 /nfs/dbraw/zinc/34/55/98/379345598.db2.gz QFVMLBAIHOJOOM-GFCCVEGCSA-N 1 2 297.380 1.563 20 5 CDBDLO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000173936766 379345606 /nfs/dbraw/zinc/34/56/06/379345606.db2.gz QFVMLBAIHOJOOM-GFCCVEGCSA-N 1 2 297.380 1.563 20 5 CDBDLO COC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413142547 284776762 /nfs/dbraw/zinc/77/67/62/284776762.db2.gz QWQMIWPMEUWLJU-UHFFFAOYSA-N 1 2 259.265 1.978 20 5 CDBDLO NC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267022003 379386972 /nfs/dbraw/zinc/38/69/72/379386972.db2.gz KJIGMSRFKLZDHC-UHFFFAOYSA-N 1 2 296.302 1.320 20 5 CDBDLO NC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267022003 379386980 /nfs/dbraw/zinc/38/69/80/379386980.db2.gz KJIGMSRFKLZDHC-UHFFFAOYSA-N 1 2 296.302 1.320 20 5 CDBDLO O=C1[C@H]([N@@H+]2CC[C@H](F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451186981 390603161 /nfs/dbraw/zinc/60/31/61/390603161.db2.gz CEYBKCURMFRWOQ-GXFFZTMASA-N 1 2 293.298 1.744 20 5 CDBDLO O=C1[C@H]([N@H+]2CC[C@H](F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451186981 390603166 /nfs/dbraw/zinc/60/31/66/390603166.db2.gz CEYBKCURMFRWOQ-GXFFZTMASA-N 1 2 293.298 1.744 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000413265440 391189504 /nfs/dbraw/zinc/18/95/04/391189504.db2.gz LFTPZFKZRWAWBW-SNVBAGLBSA-N 1 2 298.318 1.286 20 5 CDBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC000189855734 130030803 /nfs/dbraw/zinc/03/08/03/130030803.db2.gz VTRIDMHSGMVKKU-NXEZZACHSA-N 1 2 290.327 1.839 20 5 CDBDLO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000261988348 131181379 /nfs/dbraw/zinc/18/13/79/131181379.db2.gz KUXFAXDNDXWRQR-UHFFFAOYSA-N 1 2 281.312 1.357 20 5 CDBDLO Cc1noc(C2C[NH+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000459615504 392491991 /nfs/dbraw/zinc/49/19/91/392491991.db2.gz XYIPSYFNXWPRJG-UHFFFAOYSA-N 1 2 280.309 1.947 20 5 CDBDLO O=C(CCc1[nH]cc[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000548766795 392508546 /nfs/dbraw/zinc/50/85/46/392508546.db2.gz RMAZOLUKBJVGPB-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO C[C@H]1CC[NH2+][C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000235667997 140236371 /nfs/dbraw/zinc/23/63/71/140236371.db2.gz CJGBQOJKDQKKRA-KWQFWETISA-N 1 2 279.296 1.627 20 5 CDBDLO C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]C1 ZINC000235708855 140236606 /nfs/dbraw/zinc/23/66/06/140236606.db2.gz ZHUZXWUCXNQMHB-LBPRGKRZSA-N 1 2 265.269 1.239 20 5 CDBDLO Cc1c(C[N@H+]2CCOC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000248619064 140293546 /nfs/dbraw/zinc/29/35/46/140293546.db2.gz KHNBMJSZZPCQAL-SMDDNHRTSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1c(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000248619064 140293547 /nfs/dbraw/zinc/29/35/47/140293547.db2.gz KHNBMJSZZPCQAL-SMDDNHRTSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1ccc(CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000093641810 147058721 /nfs/dbraw/zinc/05/87/21/147058721.db2.gz YAWIKMNGZQYAJO-LSDHHAIUSA-N 1 2 291.351 1.418 20 5 CDBDLO Cc1ccc(CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000093641810 147058722 /nfs/dbraw/zinc/05/87/22/147058722.db2.gz YAWIKMNGZQYAJO-LSDHHAIUSA-N 1 2 291.351 1.418 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179579034 148121792 /nfs/dbraw/zinc/12/17/92/148121792.db2.gz RNJFOJWFUNREIJ-NSHDSACASA-N 1 2 263.297 1.353 20 5 CDBDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179579034 148121796 /nfs/dbraw/zinc/12/17/96/148121796.db2.gz RNJFOJWFUNREIJ-NSHDSACASA-N 1 2 263.297 1.353 20 5 CDBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])ccc3=O)cc2[nH+]1 ZINC000358851689 158051704 /nfs/dbraw/zinc/05/17/04/158051704.db2.gz DIBVNAIBNQOPQM-UHFFFAOYSA-N 1 2 284.275 1.990 20 5 CDBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])ccc3=O)ccc2[nH+]1 ZINC000358851689 158051706 /nfs/dbraw/zinc/05/17/06/158051706.db2.gz DIBVNAIBNQOPQM-UHFFFAOYSA-N 1 2 284.275 1.990 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000071140244 176038538 /nfs/dbraw/zinc/03/85/38/176038538.db2.gz PHFPQKHEVKSKQJ-UHFFFAOYSA-N 1 2 278.243 1.397 20 5 CDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000280344458 279050043 /nfs/dbraw/zinc/05/00/43/279050043.db2.gz HWSDMPBYKMYDAH-SWLSCSKDSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000280344458 279050044 /nfs/dbraw/zinc/05/00/44/279050044.db2.gz HWSDMPBYKMYDAH-SWLSCSKDSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)C ZINC000266671147 290267342 /nfs/dbraw/zinc/26/73/42/290267342.db2.gz PBSCBFAFDNMEDA-SNVBAGLBSA-N 1 2 265.313 1.676 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N(C)C ZINC000266671147 290267344 /nfs/dbraw/zinc/26/73/44/290267344.db2.gz PBSCBFAFDNMEDA-SNVBAGLBSA-N 1 2 265.313 1.676 20 5 CDBDLO CC[C@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000293018130 529370996 /nfs/dbraw/zinc/37/09/96/529370996.db2.gz CFFWXERTKMOKSO-OCCSQVGLSA-N 1 2 296.323 1.560 20 5 CDBDLO CC(C)C1(O)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773893130 575843716 /nfs/dbraw/zinc/84/37/16/575843716.db2.gz LGQLNHQMAJIIQS-ZDUSSCGKSA-N 1 2 280.324 1.331 20 5 CDBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000748457259 576913422 /nfs/dbraw/zinc/91/34/22/576913422.db2.gz LQTYIJKXUPIPHT-ZDUSSCGKSA-N 1 2 294.307 1.359 20 5 CDBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000748457259 576913424 /nfs/dbraw/zinc/91/34/24/576913424.db2.gz LQTYIJKXUPIPHT-ZDUSSCGKSA-N 1 2 294.307 1.359 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000750720052 577001510 /nfs/dbraw/zinc/00/15/10/577001510.db2.gz LNKKXYYRXRSFIS-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000750720052 577001511 /nfs/dbraw/zinc/00/15/11/577001511.db2.gz LNKKXYYRXRSFIS-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]1CO ZINC000934022951 617862451 /nfs/dbraw/zinc/86/24/51/617862451.db2.gz BJTBVYMUKFRBQA-ZDUSSCGKSA-N 1 2 280.324 1.949 20 5 CDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]1CO ZINC000934022951 617862456 /nfs/dbraw/zinc/86/24/56/617862456.db2.gz BJTBVYMUKFRBQA-ZDUSSCGKSA-N 1 2 280.324 1.949 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])cn1)C2 ZINC000896659878 620180834 /nfs/dbraw/zinc/18/08/34/620180834.db2.gz MPWMHSCMVVYNQE-UHFFFAOYSA-N 1 2 274.284 1.164 20 5 CDBDLO COc1ccc(-n2ccc(C[NH2+]CC[N+](=O)[O-])n2)cc1 ZINC000905068532 626615138 /nfs/dbraw/zinc/61/51/38/626615138.db2.gz OTSFQBDYLHLQRM-UHFFFAOYSA-N 1 2 276.296 1.247 20 5 CDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH+]c[nH]1 ZINC000908052270 628002365 /nfs/dbraw/zinc/00/23/65/628002365.db2.gz CILBUVWJUPMBES-UHFFFAOYSA-N 1 2 288.307 1.562 20 5 CDBDLO NC(CCO)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000820706355 846264078 /nfs/dbraw/zinc/26/40/78/846264078.db2.gz NGCRRTHHLPYQTI-UHFFFAOYSA-N 1 2 257.221 1.115 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933974645 846893596 /nfs/dbraw/zinc/89/35/96/846893596.db2.gz RZUZPMIYDAHGDW-UONOGXRCSA-N 1 2 278.308 1.585 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933974645 846893599 /nfs/dbraw/zinc/89/35/99/846893599.db2.gz RZUZPMIYDAHGDW-UONOGXRCSA-N 1 2 278.308 1.585 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000794968837 846961830 /nfs/dbraw/zinc/96/18/30/846961830.db2.gz SISURYIETNMBGA-PJXYFTJBSA-N 1 2 294.282 1.585 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000794968837 846961834 /nfs/dbraw/zinc/96/18/34/846961834.db2.gz SISURYIETNMBGA-PJXYFTJBSA-N 1 2 294.282 1.585 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCNC(=O)C1 ZINC000787406384 847331952 /nfs/dbraw/zinc/33/19/52/847331952.db2.gz JRCLMQQQJZHJQN-WQLSENKSSA-N 1 2 289.335 1.820 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCNC(=O)C1 ZINC000787406384 847331955 /nfs/dbraw/zinc/33/19/55/847331955.db2.gz JRCLMQQQJZHJQN-WQLSENKSSA-N 1 2 289.335 1.820 20 5 CDBDLO C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCC1 ZINC000172963642 847374980 /nfs/dbraw/zinc/37/49/80/847374980.db2.gz YICHTKVVLYHOEK-UHFFFAOYSA-N 1 2 289.291 1.633 20 5 CDBDLO C[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCC1 ZINC000172963642 847374990 /nfs/dbraw/zinc/37/49/90/847374990.db2.gz YICHTKVVLYHOEK-UHFFFAOYSA-N 1 2 289.291 1.633 20 5 CDBDLO CC(C)O[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842610120 847603715 /nfs/dbraw/zinc/60/37/15/847603715.db2.gz LGYNYKNAJRKXMH-LLVKDONJSA-N 1 2 254.290 1.248 20 5 CDBDLO CC(C)O[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842610120 847603721 /nfs/dbraw/zinc/60/37/21/847603721.db2.gz LGYNYKNAJRKXMH-LLVKDONJSA-N 1 2 254.290 1.248 20 5 CDBDLO CC[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000799164415 847716560 /nfs/dbraw/zinc/71/65/60/847716560.db2.gz RELPXZJBBUYJOH-SNVBAGLBSA-N 1 2 254.290 1.250 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000799164415 847716567 /nfs/dbraw/zinc/71/65/67/847716567.db2.gz RELPXZJBBUYJOH-SNVBAGLBSA-N 1 2 254.290 1.250 20 5 CDBDLO Cc1cc(C)c(NC(=O)C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC001353271651 899293917 /nfs/dbraw/zinc/29/39/17/899293917.db2.gz COBPRGJQQGWTMZ-UHFFFAOYSA-N 1 2 265.313 1.417 20 5 CDBDLO CCc1nnc2n1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040283 927654408 /nfs/dbraw/zinc/65/44/08/927654408.db2.gz ZIMISZKGVIMONY-QWRGUYRKSA-N 1 2 279.344 1.102 20 5 CDBDLO CCc1nnc2n1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040283 927654417 /nfs/dbraw/zinc/65/44/17/927654417.db2.gz ZIMISZKGVIMONY-QWRGUYRKSA-N 1 2 279.344 1.102 20 5 CDBDLO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000193257945 934672291 /nfs/dbraw/zinc/67/22/91/934672291.db2.gz USMILUJSQRDYJG-UHFFFAOYSA-N 1 2 277.280 1.945 20 5 CDBDLO CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000193257945 934672295 /nfs/dbraw/zinc/67/22/95/934672295.db2.gz USMILUJSQRDYJG-UHFFFAOYSA-N 1 2 277.280 1.945 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1ncnc(OC)c1[N+](=O)[O-] ZINC001157462647 938496566 /nfs/dbraw/zinc/49/65/66/938496566.db2.gz RUSRXPQUOYPEGT-UHFFFAOYSA-N 1 2 292.299 1.116 20 5 CDBDLO Nc1nc(NCc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC001163138919 939211330 /nfs/dbraw/zinc/21/13/30/939211330.db2.gz DWSKRFMFKIRFJK-UHFFFAOYSA-N 1 2 284.279 1.832 20 5 CDBDLO C[NH+]1CC(Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342304 942456092 /nfs/dbraw/zinc/45/60/92/942456092.db2.gz IOXWIOYWYWZKAU-UHFFFAOYSA-N 1 2 259.265 1.836 20 5 CDBDLO Cc1cc(O)c(OC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001229755135 942526590 /nfs/dbraw/zinc/52/65/90/942526590.db2.gz WAYXQIXQYHKUCJ-JTQLQIEISA-N 1 2 282.296 1.318 20 5 CDBDLO Cc1cc(O)c(OC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001229755135 942526595 /nfs/dbraw/zinc/52/65/95/942526595.db2.gz WAYXQIXQYHKUCJ-JTQLQIEISA-N 1 2 282.296 1.318 20 5 CDBDLO COc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001320122318 958951349 /nfs/dbraw/zinc/95/13/49/958951349.db2.gz XPGOFGGUGGFBTQ-SECBINFHSA-N 1 2 290.279 2.000 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ncccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434913 343320705 /nfs/dbraw/zinc/32/07/05/343320705.db2.gz YVJMQVHLGZFNAG-GHMZBOCLSA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ncccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434913 343320706 /nfs/dbraw/zinc/32/07/06/343320706.db2.gz YVJMQVHLGZFNAG-GHMZBOCLSA-N 1 2 280.328 1.511 20 5 CDBDLO Cc1ccc[nH+]c1CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000295018456 199302213 /nfs/dbraw/zinc/30/22/13/199302213.db2.gz QHBSILHLVSIBLW-UHFFFAOYSA-N 1 2 288.311 1.715 20 5 CDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000598946545 343925905 /nfs/dbraw/zinc/92/59/05/343925905.db2.gz GHWDGURQYWIXDC-NSHDSACASA-N 1 2 286.291 1.536 20 5 CDBDLO O=C1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])N1 ZINC000599107335 343955471 /nfs/dbraw/zinc/95/54/71/343955471.db2.gz MXBLRYLZDMKHJS-JTQLQIEISA-N 1 2 286.291 1.834 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000599536563 344077144 /nfs/dbraw/zinc/07/71/44/344077144.db2.gz 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CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000048921928 357199490 /nfs/dbraw/zinc/19/94/90/357199490.db2.gz ABIBJSHRCDILOK-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000048921928 357199496 /nfs/dbraw/zinc/19/94/96/357199496.db2.gz ABIBJSHRCDILOK-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332672053 358883091 /nfs/dbraw/zinc/88/30/91/358883091.db2.gz ILSZUYSCEFIIHZ-LLVKDONJSA-N 1 2 291.351 1.868 20 5 CDBDLO CC[C@@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332672053 358883093 /nfs/dbraw/zinc/88/30/93/358883093.db2.gz ILSZUYSCEFIIHZ-LLVKDONJSA-N 1 2 291.351 1.868 20 5 CDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046554 359335795 /nfs/dbraw/zinc/33/57/95/359335795.db2.gz FENVESMHACHVEV-KBPBESRZSA-N 1 2 277.324 1.110 20 5 CDBDLO C[N@H+]1CCO[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046554 359335799 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RCCOJTHMKATPLW-UHFFFAOYSA-N 1 2 284.275 1.692 20 5 CDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnccn3)CC2)c1 ZINC000562679125 293173057 /nfs/dbraw/zinc/17/30/57/293173057.db2.gz LRFAPLQFVHFZBW-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269316466 535322274 /nfs/dbraw/zinc/32/22/74/535322274.db2.gz BLSXNJPQUSFNEL-UHFFFAOYSA-N 1 2 292.299 1.068 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(-n2c[nH+]c(CCCO)c2)n1 ZINC000765498429 576031365 /nfs/dbraw/zinc/03/13/65/576031365.db2.gz CWCDLRUCDPAREZ-UHFFFAOYSA-N 1 2 262.269 1.409 20 5 CDBDLO C[C@@H]1C[NH+](Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1 ZINC000743378259 576637728 /nfs/dbraw/zinc/63/77/28/576637728.db2.gz UXDHABFGETZCBV-RKDXNWHRSA-N 1 2 256.331 1.575 20 5 CDBDLO CONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032635584 617721376 /nfs/dbraw/zinc/72/13/76/617721376.db2.gz PXLJRCOCPZPWAA-UHFFFAOYSA-N 1 2 262.225 1.072 20 5 CDBDLO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246760 619492201 /nfs/dbraw/zinc/49/22/01/619492201.db2.gz BZDWFNAXYQHHOD-HZMBPMFUSA-N 1 2 296.346 1.780 20 5 CDBDLO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246760 619492207 /nfs/dbraw/zinc/49/22/07/619492207.db2.gz BZDWFNAXYQHHOD-HZMBPMFUSA-N 1 2 296.346 1.780 20 5 CDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCOC1=O ZINC000902250893 624608033 /nfs/dbraw/zinc/60/80/33/624608033.db2.gz QSWVBGICPWDZFA-UHFFFAOYSA-N 1 2 279.296 1.479 20 5 CDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCOC1=O ZINC000902250893 624608037 /nfs/dbraw/zinc/60/80/37/624608037.db2.gz QSWVBGICPWDZFA-UHFFFAOYSA-N 1 2 279.296 1.479 20 5 CDBDLO CCOC(=O)[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902422957 624791058 /nfs/dbraw/zinc/79/10/58/624791058.db2.gz HLTMPMCJDFFDMN-NSHDSACASA-N 1 2 296.327 1.251 20 5 CDBDLO CCOC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902422957 624791063 /nfs/dbraw/zinc/79/10/63/624791063.db2.gz HLTMPMCJDFFDMN-NSHDSACASA-N 1 2 296.327 1.251 20 5 CDBDLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000839682841 697822496 /nfs/dbraw/zinc/82/24/96/697822496.db2.gz AFBHRQVVHPYWMW-DGCLKSJQSA-N 1 2 277.324 1.660 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000829838029 848156660 /nfs/dbraw/zinc/15/66/60/848156660.db2.gz QKFSUBZCEUKZMH-UHFFFAOYSA-N 1 2 293.239 1.460 20 5 CDBDLO Nc1c(C(=O)OCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000784124066 848813283 /nfs/dbraw/zinc/81/32/83/848813283.db2.gz XCYQITPGRYRIMF-UHFFFAOYSA-N 1 2 290.279 1.621 20 5 CDBDLO Cc1nn(C[N@@H+](C)CC2=CCCOC2)c(C)c1[N+](=O)[O-] ZINC000853561722 850157588 /nfs/dbraw/zinc/15/75/88/850157588.db2.gz ORFGHSXJNHDFJU-UHFFFAOYSA-N 1 2 280.328 1.644 20 5 CDBDLO Cc1nn(C[N@H+](C)CC2=CCCOC2)c(C)c1[N+](=O)[O-] ZINC000853561722 850157596 /nfs/dbraw/zinc/15/75/96/850157596.db2.gz ORFGHSXJNHDFJU-UHFFFAOYSA-N 1 2 280.328 1.644 20 5 CDBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cnc1F ZINC001168373493 910904494 /nfs/dbraw/zinc/90/44/94/910904494.db2.gz DILKBFAUOUPOQO-SECBINFHSA-N 1 2 296.302 1.404 20 5 CDBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cnc1F ZINC001168373493 910904513 /nfs/dbraw/zinc/90/45/13/910904513.db2.gz DILKBFAUOUPOQO-SECBINFHSA-N 1 2 296.302 1.404 20 5 CDBDLO COc1nc(C)c([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)n1 ZINC001156756795 938414640 /nfs/dbraw/zinc/41/46/40/938414640.db2.gz HADVAZFXSSQHMK-UHFFFAOYSA-N 1 2 290.283 1.291 20 5 CDBDLO Cc1nc(NCc2ccc3[nH+]ccn3c2)ncc1[N+](=O)[O-] ZINC001163141247 939212168 /nfs/dbraw/zinc/21/21/68/939212168.db2.gz VIXZNKZWXYGEFW-UHFFFAOYSA-N 1 2 284.279 1.953 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181655 941963925 /nfs/dbraw/zinc/96/39/25/941963925.db2.gz SOSRAJWLKNDSKN-MRVPVSSYSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181655 941963927 /nfs/dbraw/zinc/96/39/27/941963927.db2.gz SOSRAJWLKNDSKN-MRVPVSSYSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227468506 942179369 /nfs/dbraw/zinc/17/93/69/942179369.db2.gz ZWYORVWWKIPWQV-SNVBAGLBSA-N 1 2 297.267 1.212 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227468506 942179372 /nfs/dbraw/zinc/17/93/72/942179372.db2.gz ZWYORVWWKIPWQV-SNVBAGLBSA-N 1 2 297.267 1.212 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC001524695814 970885675 /nfs/dbraw/zinc/88/56/75/970885675.db2.gz KKFTZZSSWQQZNE-UHFFFAOYSA-N 1 2 290.279 1.727 20 5 CDBDLO Cc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1C ZINC001324345697 961323046 /nfs/dbraw/zinc/32/30/46/961323046.db2.gz WPMABNJOBMEWQZ-UHFFFAOYSA-N 1 2 295.730 1.975 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000047151017 342097321 /nfs/dbraw/zinc/09/73/21/342097321.db2.gz WSWXTVILVRUIMD-LLVKDONJSA-N 1 2 293.323 1.045 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000042565128 342106752 /nfs/dbraw/zinc/10/67/52/342106752.db2.gz DKRDREULXZAJFE-UHFFFAOYSA-N 1 2 269.326 1.434 20 5 CDBDLO CNc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)c[nH+]1 ZINC000076268346 342320376 /nfs/dbraw/zinc/32/03/76/342320376.db2.gz VZSTXMKOKJBMPO-UHFFFAOYSA-N 1 2 261.245 1.147 20 5 CDBDLO C[C@H](O)C[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336812126 362141778 /nfs/dbraw/zinc/14/17/78/362141778.db2.gz QFDALVBLYOPRGY-VIFPVBQESA-N 1 2 288.731 1.423 20 5 CDBDLO C[C@H](O)C[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336812126 362141783 /nfs/dbraw/zinc/14/17/83/362141783.db2.gz QFDALVBLYOPRGY-VIFPVBQESA-N 1 2 288.731 1.423 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000596543387 343347267 /nfs/dbraw/zinc/34/72/67/343347267.db2.gz SOOYLTMVOPIENA-ZCFIWIBFSA-N 1 2 253.287 1.958 20 5 CDBDLO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000090884202 342397715 /nfs/dbraw/zinc/39/77/15/342397715.db2.gz JMDQMXRPIPFKSU-GWCFXTLKSA-N 1 2 290.323 1.713 20 5 CDBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+](C)C ZINC000597992926 343682638 /nfs/dbraw/zinc/68/26/38/343682638.db2.gz PJYJDHDOAPTVJX-SECBINFHSA-N 1 2 281.312 1.370 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000598738117 343891938 /nfs/dbraw/zinc/89/19/38/343891938.db2.gz GEXBRUPKSPBTRJ-MRVPVSSYSA-N 1 2 292.299 1.334 20 5 CDBDLO COc1cc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000314790285 344914472 /nfs/dbraw/zinc/91/44/72/344914472.db2.gz RMFQJUXAWDOKHP-UHFFFAOYSA-N 1 2 295.339 1.656 20 5 CDBDLO COCCCNC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000053141472 346377831 /nfs/dbraw/zinc/37/78/31/346377831.db2.gz LXPDLXDNCKXIHX-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO COCCCNC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000053141472 346377834 /nfs/dbraw/zinc/37/78/34/346377834.db2.gz LXPDLXDNCKXIHX-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066563136 347491336 /nfs/dbraw/zinc/49/13/36/347491336.db2.gz UWNXOJPSDXLOJU-GFCCVEGCSA-N 1 2 263.297 1.435 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066563136 347491339 /nfs/dbraw/zinc/49/13/39/347491339.db2.gz UWNXOJPSDXLOJU-GFCCVEGCSA-N 1 2 263.297 1.435 20 5 CDBDLO [NH3+]C1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000236218215 363033227 /nfs/dbraw/zinc/03/32/27/363033227.db2.gz INZKLYCEDIHBGR-UHFFFAOYSA-N 1 2 265.269 1.510 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCn2c[nH+]cc2C1 ZINC000292098339 198162227 /nfs/dbraw/zinc/16/22/27/198162227.db2.gz OTDQEFKZKQMLIA-UHFFFAOYSA-N 1 2 286.291 1.376 20 5 CDBDLO COc1cccc(NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000134918714 356525010 /nfs/dbraw/zinc/52/50/10/356525010.db2.gz XYODMHRMKKFUKO-UHFFFAOYSA-N 1 2 262.269 1.949 20 5 CDBDLO O=[N+]([O-])c1ncn(Cc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000048603290 356967125 /nfs/dbraw/zinc/96/71/25/356967125.db2.gz ONGKEYKKFAGDRH-UHFFFAOYSA-N 1 2 278.659 1.536 20 5 CDBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294073913 198896749 /nfs/dbraw/zinc/89/67/49/198896749.db2.gz YPUSCRUIZYUGNX-ZDUSSCGKSA-N 1 2 296.298 1.928 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000062351305 357474764 /nfs/dbraw/zinc/47/47/64/357474764.db2.gz GAZHDGOWUHKNKM-WDMOLILDSA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000062351305 357474768 /nfs/dbraw/zinc/47/47/68/357474768.db2.gz GAZHDGOWUHKNKM-WDMOLILDSA-N 1 2 280.324 1.737 20 5 CDBDLO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000060500004 357736046 /nfs/dbraw/zinc/73/60/46/357736046.db2.gz URIATJRCYDDPIU-UHFFFAOYSA-N 1 2 293.323 1.381 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193664908 358314022 /nfs/dbraw/zinc/31/40/22/358314022.db2.gz PXIVNBIIJPKUFU-CQSZACIVSA-N 1 2 278.308 1.586 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193664908 358314023 /nfs/dbraw/zinc/31/40/23/358314023.db2.gz PXIVNBIIJPKUFU-CQSZACIVSA-N 1 2 278.308 1.586 20 5 CDBDLO Cc1c(C[N@@H+]2CCOC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC000193722951 358319470 /nfs/dbraw/zinc/31/94/70/358319470.db2.gz HQWPFGPTWVZJBK-HNNXBMFYSA-N 1 2 292.335 1.895 20 5 CDBDLO Cc1c(C[N@H+]2CCOC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC000193722951 358319473 /nfs/dbraw/zinc/31/94/73/358319473.db2.gz HQWPFGPTWVZJBK-HNNXBMFYSA-N 1 2 292.335 1.895 20 5 CDBDLO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000119628003 358910984 /nfs/dbraw/zinc/91/09/84/358910984.db2.gz UICKVGCOUZRDST-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO Cn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342257940 358977107 /nfs/dbraw/zinc/97/71/07/358977107.db2.gz YLVUJGFAFUMVRN-UHFFFAOYSA-N 1 2 281.703 1.667 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000014679466 359115103 /nfs/dbraw/zinc/11/51/03/359115103.db2.gz CFFXSRVXWDSJCS-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000339084910 359285201 /nfs/dbraw/zinc/28/52/01/359285201.db2.gz RXLXWTBYDKBION-BHYNMZESSA-N 1 2 278.308 1.503 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000339084910 359285207 /nfs/dbraw/zinc/28/52/07/359285207.db2.gz RXLXWTBYDKBION-BHYNMZESSA-N 1 2 278.308 1.503 20 5 CDBDLO Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000340080578 359553176 /nfs/dbraw/zinc/55/31/76/359553176.db2.gz QIWVOIJJDMVDPU-UHFFFAOYSA-N 1 2 258.281 1.770 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000353187526 359579049 /nfs/dbraw/zinc/57/90/49/359579049.db2.gz NNYHVVYHCWUKNK-UHFFFAOYSA-N 1 2 290.279 1.322 20 5 CDBDLO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000019439391 360018230 /nfs/dbraw/zinc/01/82/30/360018230.db2.gz CLSZRANDQFHVRX-VIFPVBQESA-N 1 2 267.310 1.504 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330582631 203000551 /nfs/dbraw/zinc/00/05/51/203000551.db2.gz KAZKGVDRCMWGIR-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330582631 203000556 /nfs/dbraw/zinc/00/05/56/203000556.db2.gz KAZKGVDRCMWGIR-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000353199776 372564626 /nfs/dbraw/zinc/56/46/26/372564626.db2.gz YJMFRUNVZLPCRU-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1ccnc(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000531832771 374511810 /nfs/dbraw/zinc/51/18/10/374511810.db2.gz HGOMCNMKUVAYQY-UHFFFAOYSA-N 1 2 259.269 1.556 20 5 CDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCn1cc[nH+]c1 ZINC000117334499 374533904 /nfs/dbraw/zinc/53/39/04/374533904.db2.gz SPFKRMNSTRFECQ-UHFFFAOYSA-N 1 2 288.263 1.790 20 5 CDBDLO Cn1[nH]c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc1=O ZINC000429238032 374575041 /nfs/dbraw/zinc/57/50/41/374575041.db2.gz QGNSLLWFJJOIRH-UHFFFAOYSA-N 1 2 291.311 1.042 20 5 CDBDLO COc1ccc(OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000276886619 374756846 /nfs/dbraw/zinc/75/68/46/374756846.db2.gz SCDDZURESVGSSU-UHFFFAOYSA-N 1 2 263.253 1.916 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C12CCC[NH+]1CCC2 ZINC000279564050 374925304 /nfs/dbraw/zinc/92/53/04/374925304.db2.gz XVYNDCFPBWBZPH-UHFFFAOYSA-N 1 2 291.307 1.867 20 5 CDBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCNC1=O ZINC000282208697 375071058 /nfs/dbraw/zinc/07/10/58/375071058.db2.gz DFTXVGBDKMZZPS-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCNC1=O ZINC000282208697 375071062 /nfs/dbraw/zinc/07/10/62/375071062.db2.gz DFTXVGBDKMZZPS-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248376125 376290013 /nfs/dbraw/zinc/29/00/13/376290013.db2.gz ZMXASWPXACPDTN-VXGBXAGGSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248376125 376290019 /nfs/dbraw/zinc/29/00/19/376290019.db2.gz ZMXASWPXACPDTN-VXGBXAGGSA-N 1 2 296.323 1.055 20 5 CDBDLO Cc1cc(OCC(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000435679310 248184956 /nfs/dbraw/zinc/18/49/56/248184956.db2.gz YAIQSACPRCZVEZ-UHFFFAOYSA-N 1 2 290.279 1.322 20 5 CDBDLO CCc1n[nH]c(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000444365494 250129461 /nfs/dbraw/zinc/12/94/61/250129461.db2.gz BZZHARWOMAQORW-MRVPVSSYSA-N 1 2 292.299 1.485 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](O)C3)nc2c1 ZINC000444620434 250154232 /nfs/dbraw/zinc/15/42/32/250154232.db2.gz NRBXGBMOXVMBPW-VIFPVBQESA-N 1 2 262.269 1.038 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](O)C3)nc2c1 ZINC000444620434 250154234 /nfs/dbraw/zinc/15/42/34/250154234.db2.gz NRBXGBMOXVMBPW-VIFPVBQESA-N 1 2 262.269 1.038 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000278813534 194166666 /nfs/dbraw/zinc/16/66/66/194166666.db2.gz IRFXQIPMKCIBAV-LLVKDONJSA-N 1 2 297.330 1.891 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000090360431 285111954 /nfs/dbraw/zinc/11/19/54/285111954.db2.gz QLXTVFYHJJXOBA-UHFFFAOYSA-N 1 2 281.268 1.460 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1C ZINC000288133848 197011541 /nfs/dbraw/zinc/01/15/41/197011541.db2.gz MTSLPNGXNRILGY-UHFFFAOYSA-N 1 2 278.316 1.490 20 5 CDBDLO Cc1c(NC(=O)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000081223938 177782240 /nfs/dbraw/zinc/78/22/40/177782240.db2.gz YZEXEOVKWPWCIY-GFCCVEGCSA-N 1 2 279.296 1.172 20 5 CDBDLO Cc1c(NC(=O)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000081223938 177782241 /nfs/dbraw/zinc/78/22/41/177782241.db2.gz YZEXEOVKWPWCIY-GFCCVEGCSA-N 1 2 279.296 1.172 20 5 CDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCNC1=O ZINC000281614705 195309330 /nfs/dbraw/zinc/30/93/30/195309330.db2.gz HCDZVCHBMIHTFI-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCNC1=O ZINC000281614705 195309331 /nfs/dbraw/zinc/30/93/31/195309331.db2.gz HCDZVCHBMIHTFI-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048922084 390467259 /nfs/dbraw/zinc/46/72/59/390467259.db2.gz SRYOXLWGYWPLEH-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048922084 390467260 /nfs/dbraw/zinc/46/72/60/390467260.db2.gz SRYOXLWGYWPLEH-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOCCO)c2c1 ZINC000413252320 391186524 /nfs/dbraw/zinc/18/65/24/391186524.db2.gz YWBDVMXVEVVQIQ-UHFFFAOYSA-N 1 2 291.307 1.376 20 5 CDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000332599882 393153937 /nfs/dbraw/zinc/15/39/37/393153937.db2.gz AOXYZYLKFHAKER-SECBINFHSA-N 1 2 284.341 1.160 20 5 CDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000332599882 393153944 /nfs/dbraw/zinc/15/39/44/393153944.db2.gz AOXYZYLKFHAKER-SECBINFHSA-N 1 2 284.341 1.160 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000156371704 393157536 /nfs/dbraw/zinc/15/75/36/393157536.db2.gz PJNFRBBWXMUIKP-GFCCVEGCSA-N 1 2 277.324 1.614 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000156371704 393157547 /nfs/dbraw/zinc/15/75/47/393157547.db2.gz PJNFRBBWXMUIKP-GFCCVEGCSA-N 1 2 277.324 1.614 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230009567 140206152 /nfs/dbraw/zinc/20/61/52/140206152.db2.gz HIABRKVZNNJEQZ-GWCFXTLKSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230009567 140206153 /nfs/dbraw/zinc/20/61/53/140206153.db2.gz HIABRKVZNNJEQZ-GWCFXTLKSA-N 1 2 266.297 1.176 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093631665 147058788 /nfs/dbraw/zinc/05/87/88/147058788.db2.gz MGIYZRMYWZVDOH-UHFFFAOYSA-N 1 2 264.216 1.387 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093631665 147058790 /nfs/dbraw/zinc/05/87/90/147058790.db2.gz MGIYZRMYWZVDOH-UHFFFAOYSA-N 1 2 264.216 1.387 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3ccco3)C2)n1 ZINC000121385003 147371935 /nfs/dbraw/zinc/37/19/35/147371935.db2.gz ZNGVKFOOVYHXIH-LBPRGKRZSA-N 1 2 292.295 1.458 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3ccco3)C2)n1 ZINC000121385003 147371937 /nfs/dbraw/zinc/37/19/37/147371937.db2.gz ZNGVKFOOVYHXIH-LBPRGKRZSA-N 1 2 292.295 1.458 20 5 CDBDLO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184726331 148366875 /nfs/dbraw/zinc/36/68/75/148366875.db2.gz OZRFGUGGFUYRHQ-UHFFFAOYSA-N 1 2 293.323 1.372 20 5 CDBDLO O=C(Cn1cc[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352179182 155002789 /nfs/dbraw/zinc/00/27/89/155002789.db2.gz VWNHRPSDOJFXCM-UHFFFAOYSA-N 1 2 264.216 1.569 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372355827 160109914 /nfs/dbraw/zinc/10/99/14/160109914.db2.gz MODSLFOBSWGFRA-GFCCVEGCSA-N 1 2 294.355 1.719 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372355827 160109917 /nfs/dbraw/zinc/10/99/17/160109917.db2.gz MODSLFOBSWGFRA-GFCCVEGCSA-N 1 2 294.355 1.719 20 5 CDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044465462 175177734 /nfs/dbraw/zinc/17/77/34/175177734.db2.gz LCELQNXMUXZNHU-ZWNOBZJWSA-N 1 2 288.307 1.126 20 5 CDBDLO O=C1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]2N1 ZINC000246613403 280264201 /nfs/dbraw/zinc/26/42/01/280264201.db2.gz NEPJXOVJWHSCCK-ZIAGYGMSSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]2N1 ZINC000246613403 280264204 /nfs/dbraw/zinc/26/42/04/280264204.db2.gz NEPJXOVJWHSCCK-ZIAGYGMSSA-N 1 2 289.335 1.838 20 5 CDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000157181292 289280543 /nfs/dbraw/zinc/28/05/43/289280543.db2.gz NCQFFUIIWSPULV-SMDDNHRTSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000157181292 289280545 /nfs/dbraw/zinc/28/05/45/289280545.db2.gz NCQFFUIIWSPULV-SMDDNHRTSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1C ZINC000276132273 289995118 /nfs/dbraw/zinc/99/51/18/289995118.db2.gz BLHASTZALYLZNP-IUCAKERBSA-N 1 2 276.300 1.530 20 5 CDBDLO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)CC ZINC000183581360 521268974 /nfs/dbraw/zinc/26/89/74/521268974.db2.gz VPMJGGGUWSRPBT-ZYHUDNBSSA-N 1 2 298.343 1.359 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000355272877 527508523 /nfs/dbraw/zinc/50/85/23/527508523.db2.gz VWMMBCKZQVVOSY-UHFFFAOYSA-N 1 2 278.243 1.397 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000269055851 536467389 /nfs/dbraw/zinc/46/73/89/536467389.db2.gz XDBYJEBGDHYFSE-NSHDSACASA-N 1 2 297.742 1.911 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000269055851 536467392 /nfs/dbraw/zinc/46/73/92/536467392.db2.gz XDBYJEBGDHYFSE-NSHDSACASA-N 1 2 297.742 1.911 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCOC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000735298797 575449340 /nfs/dbraw/zinc/44/93/40/575449340.db2.gz UFRJMBUDHXNOMC-UHFFFAOYSA-N 1 2 282.344 1.867 20 5 CDBDLO Cc1nn(C[N@H+]2CCCOC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000735298797 575449343 /nfs/dbraw/zinc/44/93/43/575449343.db2.gz UFRJMBUDHXNOMC-UHFFFAOYSA-N 1 2 282.344 1.867 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793243790 1162404922 /nfs/dbraw/zinc/40/49/22/1162404922.db2.gz WIRMSCIAVQAIDQ-UHFFFAOYSA-N 1 2 275.264 1.728 20 5 CDBDLO C[N@@H+]1CCc2c(NCC3CC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001168398608 1160980139 /nfs/dbraw/zinc/98/01/39/1160980139.db2.gz SQZFJLDOZKFKBF-UHFFFAOYSA-N 1 2 289.335 1.974 20 5 CDBDLO C[N@H+]1CCc2c(NCC3CC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001168398608 1160980143 /nfs/dbraw/zinc/98/01/43/1160980143.db2.gz SQZFJLDOZKFKBF-UHFFFAOYSA-N 1 2 289.335 1.974 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000134144841 1175812867 /nfs/dbraw/zinc/81/28/67/1175812867.db2.gz WCVRWDXJTOUSSL-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000134144841 1175812871 /nfs/dbraw/zinc/81/28/71/1175812871.db2.gz WCVRWDXJTOUSSL-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO CO[C@@]1(C)CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794649032 705368105 /nfs/dbraw/zinc/36/81/05/705368105.db2.gz IACSNZKSQMGLIS-NSHDSACASA-N 1 2 254.290 1.250 20 5 CDBDLO CO[C@@]1(C)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794649032 705368115 /nfs/dbraw/zinc/36/81/15/705368115.db2.gz IACSNZKSQMGLIS-NSHDSACASA-N 1 2 254.290 1.250 20 5 CDBDLO Cc1noc(COC(=O)C[C@@H](C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000853923953 705609566 /nfs/dbraw/zinc/60/95/66/705609566.db2.gz HNKNLHRHLGLWJM-MRVPVSSYSA-N 1 2 294.267 1.782 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000830480769 705804799 /nfs/dbraw/zinc/80/47/99/705804799.db2.gz SYDZTBQKNDDWEV-PWSUYJOCSA-N 1 2 254.261 1.672 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000830480769 705804802 /nfs/dbraw/zinc/80/48/02/705804802.db2.gz SYDZTBQKNDDWEV-PWSUYJOCSA-N 1 2 254.261 1.672 20 5 CDBDLO Nc1ccc(NC(=O)CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000819919602 706066138 /nfs/dbraw/zinc/06/61/38/706066138.db2.gz GPYGPMBEGLJVBW-UHFFFAOYSA-N 1 2 275.268 1.402 20 5 CDBDLO COC(=O)NC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000852763588 709551353 /nfs/dbraw/zinc/55/13/53/709551353.db2.gz VHRCLNPYXHNOEO-UHFFFAOYSA-N 1 2 298.299 1.212 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133994004 709911781 /nfs/dbraw/zinc/91/17/81/709911781.db2.gz CJTQRWDMAGFAFH-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133994004 709911803 /nfs/dbraw/zinc/91/18/03/709911803.db2.gz CJTQRWDMAGFAFH-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO COC(=O)CC[N@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000112959274 710249253 /nfs/dbraw/zinc/24/92/53/710249253.db2.gz JMYXUVRKCATAFB-UHFFFAOYSA-N 1 2 270.289 1.022 20 5 CDBDLO COC(=O)CC[N@@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000112959274 710249254 /nfs/dbraw/zinc/24/92/54/710249254.db2.gz JMYXUVRKCATAFB-UHFFFAOYSA-N 1 2 270.289 1.022 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000160619122 710482197 /nfs/dbraw/zinc/48/21/97/710482197.db2.gz QPZXEHVIEUMYLZ-UHFFFAOYSA-N 1 2 264.281 1.544 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000160619122 710482198 /nfs/dbraw/zinc/48/21/98/710482198.db2.gz QPZXEHVIEUMYLZ-UHFFFAOYSA-N 1 2 264.281 1.544 20 5 CDBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886223831 711784442 /nfs/dbraw/zinc/78/44/42/711784442.db2.gz RGJSXZJLYLFGAZ-NSHDSACASA-N 1 2 294.311 1.262 20 5 CDBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886223831 711784443 /nfs/dbraw/zinc/78/44/43/711784443.db2.gz RGJSXZJLYLFGAZ-NSHDSACASA-N 1 2 294.311 1.262 20 5 CDBDLO C[C@H]1CCOCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886114405 711796157 /nfs/dbraw/zinc/79/61/57/711796157.db2.gz ONJNXDDSZFQECO-JTQLQIEISA-N 1 2 251.286 1.601 20 5 CDBDLO C[C@H]1CCOCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886114405 711796158 /nfs/dbraw/zinc/79/61/58/711796158.db2.gz ONJNXDDSZFQECO-JTQLQIEISA-N 1 2 251.286 1.601 20 5 CDBDLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233332 912327062 /nfs/dbraw/zinc/32/70/62/912327062.db2.gz VLOHCLKTVKYPQX-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233332 912327074 /nfs/dbraw/zinc/32/70/74/912327074.db2.gz VLOHCLKTVKYPQX-JTQLQIEISA-N 1 2 266.297 1.631 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1ncc([N+](=O)[O-])c(OC)n1 ZINC001157461116 938496014 /nfs/dbraw/zinc/49/60/14/938496014.db2.gz ASBHPRUBEFATJJ-UHFFFAOYSA-N 1 2 292.299 1.116 20 5 CDBDLO C[N@@H+]1CCOC[C@H]1CNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158707982 938653306 /nfs/dbraw/zinc/65/33/06/938653306.db2.gz WERLJTRMGKNRBR-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@H]1CNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158707982 938653308 /nfs/dbraw/zinc/65/33/08/938653308.db2.gz WERLJTRMGKNRBR-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488874 939478256 /nfs/dbraw/zinc/47/82/56/939478256.db2.gz ORKDMBAOOYXTFV-UHFFFAOYSA-N 1 2 292.673 1.688 20 5 CDBDLO Nc1ccc(Nc2[nH+]cccc2CCO)cc1[N+](=O)[O-] ZINC001209934016 940652249 /nfs/dbraw/zinc/65/22/49/940652249.db2.gz GCOKCYSUOABJQX-UHFFFAOYSA-N 1 2 274.280 1.850 20 5 CDBDLO CC[NH+]1CC(OCc2cccc(OC)c2[N+](=O)[O-])C1 ZINC001223808381 941699751 /nfs/dbraw/zinc/69/97/51/941699751.db2.gz ATOCASUWNOFIHS-UHFFFAOYSA-N 1 2 266.297 1.824 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942626 941932507 /nfs/dbraw/zinc/93/25/07/941932507.db2.gz RVMPJXHXHCPWMS-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942626 941932508 /nfs/dbraw/zinc/93/25/08/941932508.db2.gz RVMPJXHXHCPWMS-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Oc1cccc([N+](=O)[O-])c1 ZINC001226763009 942065069 /nfs/dbraw/zinc/06/50/69/942065069.db2.gz GKJTXPWBHKVACQ-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[S@](=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326039148 954194389 /nfs/dbraw/zinc/19/43/89/954194389.db2.gz ONSSMOBYJGCOAJ-SFHVURJKSA-N 1 2 268.338 1.331 20 5 CDBDLO C[S@](=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326039148 954194393 /nfs/dbraw/zinc/19/43/93/954194393.db2.gz ONSSMOBYJGCOAJ-SFHVURJKSA-N 1 2 268.338 1.331 20 5 CDBDLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(N)c1[N+](=O)[O-] ZINC001304499459 956195056 /nfs/dbraw/zinc/19/50/56/956195056.db2.gz AAMARKKYVYGQIZ-UHFFFAOYSA-N 1 2 275.268 1.390 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001354266181 968584629 /nfs/dbraw/zinc/58/46/29/968584629.db2.gz HLVQCUJJZUXJOW-GXTWGEPZSA-N 1 2 292.383 1.949 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001354266181 968584632 /nfs/dbraw/zinc/58/46/32/968584632.db2.gz HLVQCUJJZUXJOW-GXTWGEPZSA-N 1 2 292.383 1.949 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1-n1c[nH+]c(CCCO)c1 ZINC000587972468 342487601 /nfs/dbraw/zinc/48/76/01/342487601.db2.gz JPEXOGJXWMASOC-UHFFFAOYSA-N 1 2 265.244 1.845 20 5 CDBDLO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140805211 342071629 /nfs/dbraw/zinc/07/16/29/342071629.db2.gz DRSNZCNARNGWKS-MRVPVSSYSA-N 1 2 260.253 1.809 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000565300886 365623161 /nfs/dbraw/zinc/62/31/61/365623161.db2.gz BAGVEBICSYKHJV-YGRLFVJLSA-N 1 2 278.308 1.911 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000565300886 365623172 /nfs/dbraw/zinc/62/31/72/365623172.db2.gz BAGVEBICSYKHJV-YGRLFVJLSA-N 1 2 278.308 1.911 20 5 CDBDLO Cc1noc(C[NH2+][C@](C)(CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595312956 343033437 /nfs/dbraw/zinc/03/34/37/343033437.db2.gz QBIHYEVOFKHTKH-CQSZACIVSA-N 1 2 291.307 1.889 20 5 CDBDLO Cc1noc(C[N@H+](C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000595343579 343043758 /nfs/dbraw/zinc/04/37/58/343043758.db2.gz IRVSCYRAFCNZTF-SECBINFHSA-N 1 2 255.274 1.094 20 5 CDBDLO Cc1noc(C[N@@H+](C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000595343579 343043759 /nfs/dbraw/zinc/04/37/59/343043759.db2.gz IRVSCYRAFCNZTF-SECBINFHSA-N 1 2 255.274 1.094 20 5 CDBDLO Cn1cc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])nn1 ZINC000597210924 343475615 /nfs/dbraw/zinc/47/56/15/343475615.db2.gz OSFUYNANYZKJTI-ALCCZGGFSA-N 1 2 287.323 1.869 20 5 CDBDLO Cn1cc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])nn1 ZINC000597210924 343475618 /nfs/dbraw/zinc/47/56/18/343475618.db2.gz OSFUYNANYZKJTI-ALCCZGGFSA-N 1 2 287.323 1.869 20 5 CDBDLO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271041449 529772848 /nfs/dbraw/zinc/77/28/48/529772848.db2.gz NCNNMVLVLAFEGG-UHFFFAOYSA-N 1 2 293.367 2.000 20 5 CDBDLO CN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271041449 529772849 /nfs/dbraw/zinc/77/28/49/529772849.db2.gz NCNNMVLVLAFEGG-UHFFFAOYSA-N 1 2 293.367 2.000 20 5 CDBDLO CCC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602795380 344586621 /nfs/dbraw/zinc/58/66/21/344586621.db2.gz MPCDEJPBAPZPMT-LBPRGKRZSA-N 1 2 282.344 1.601 20 5 CDBDLO CCC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602795380 344586623 /nfs/dbraw/zinc/58/66/23/344586623.db2.gz MPCDEJPBAPZPMT-LBPRGKRZSA-N 1 2 282.344 1.601 20 5 CDBDLO Cc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000293156765 362534062 /nfs/dbraw/zinc/53/40/62/362534062.db2.gz MSFXBWDACYWYSH-MRVPVSSYSA-N 1 2 261.285 1.872 20 5 CDBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056357582 345163731 /nfs/dbraw/zinc/16/37/31/345163731.db2.gz FJKRVUDYYZYDJD-UHFFFAOYSA-N 1 2 277.284 1.330 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611262346 346725336 /nfs/dbraw/zinc/72/53/36/346725336.db2.gz HOHHXXYHWIRPRR-UHFFFAOYSA-N 1 2 265.313 1.471 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611262346 346725339 /nfs/dbraw/zinc/72/53/39/346725339.db2.gz HOHHXXYHWIRPRR-UHFFFAOYSA-N 1 2 265.313 1.471 20 5 CDBDLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccccc1[N+](=O)[O-] ZINC000280235672 351423371 /nfs/dbraw/zinc/42/33/71/351423371.db2.gz SSDKVNCHIOJALE-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000280235672 351423376 /nfs/dbraw/zinc/42/33/76/351423376.db2.gz SSDKVNCHIOJALE-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000065494086 363289795 /nfs/dbraw/zinc/28/97/95/363289795.db2.gz PKIPUXAMPBCZMY-ZYHUDNBSSA-N 1 2 293.323 1.331 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047931845 363548734 /nfs/dbraw/zinc/54/87/34/363548734.db2.gz QKCSJADWZQHGRO-SNVBAGLBSA-N 1 2 274.280 1.610 20 5 CDBDLO CC(C)(O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189462293 358013835 /nfs/dbraw/zinc/01/38/35/358013835.db2.gz KERFNKKFLLQKKJ-UHFFFAOYSA-N 1 2 266.297 1.429 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCn2c[nH+]cc2C1 ZINC000290856660 358686015 /nfs/dbraw/zinc/68/60/15/358686015.db2.gz BCGAAZTURYQWPA-UHFFFAOYSA-N 1 2 262.225 1.040 20 5 CDBDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000057553133 358830313 /nfs/dbraw/zinc/83/03/13/358830313.db2.gz KESNMUYVMLYNFQ-SNVBAGLBSA-N 1 2 291.307 1.267 20 5 CDBDLO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000057553133 358830315 /nfs/dbraw/zinc/83/03/15/358830315.db2.gz KESNMUYVMLYNFQ-SNVBAGLBSA-N 1 2 291.307 1.267 20 5 CDBDLO CN(C(=O)C[N@H+](C)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000106885334 359012329 /nfs/dbraw/zinc/01/23/29/359012329.db2.gz MYMNUNIQHVEJPC-ZDUSSCGKSA-N 1 2 293.323 1.278 20 5 CDBDLO CN(C(=O)C[N@@H+](C)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000106885334 359012333 /nfs/dbraw/zinc/01/23/33/359012333.db2.gz MYMNUNIQHVEJPC-ZDUSSCGKSA-N 1 2 293.323 1.278 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339208797 359327952 /nfs/dbraw/zinc/32/79/52/359327952.db2.gz FCWAMZXQRBADIL-UHFFFAOYSA-N 1 2 266.297 1.647 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339208797 359327955 /nfs/dbraw/zinc/32/79/55/359327955.db2.gz FCWAMZXQRBADIL-UHFFFAOYSA-N 1 2 266.297 1.647 20 5 CDBDLO CC[C@@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000347973143 359997253 /nfs/dbraw/zinc/99/72/53/359997253.db2.gz UBRPMMPQXCGHSS-SSDOTTSWSA-N 1 2 278.272 1.231 20 5 CDBDLO COc1cccc(NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000548116666 360279544 /nfs/dbraw/zinc/27/95/44/360279544.db2.gz FJNASPVMTFFZJV-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO COc1cccc(NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000548116666 360279547 /nfs/dbraw/zinc/27/95/47/360279547.db2.gz FJNASPVMTFFZJV-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO Cc1cc(N)nc(SCCn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000178477471 189119390 /nfs/dbraw/zinc/11/93/90/189119390.db2.gz JGFUJKGDZWBXAL-UHFFFAOYSA-N 1 2 280.313 1.264 20 5 CDBDLO CC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178856675 189151164 /nfs/dbraw/zinc/15/11/64/189151164.db2.gz XDVOVTPFPHPVHR-KBPBESRZSA-N 1 2 280.324 1.739 20 5 CDBDLO CC[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178856675 189151165 /nfs/dbraw/zinc/15/11/65/189151165.db2.gz XDVOVTPFPHPVHR-KBPBESRZSA-N 1 2 280.324 1.739 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267639633 361248662 /nfs/dbraw/zinc/24/86/62/361248662.db2.gz INUNSUOFQVUDCB-GHMZBOCLSA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267639633 361248666 /nfs/dbraw/zinc/24/86/66/361248666.db2.gz INUNSUOFQVUDCB-GHMZBOCLSA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@H]([C@H](C)Nc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000264284277 364874079 /nfs/dbraw/zinc/87/40/79/364874079.db2.gz PKFDDFZZLOZGJH-WDEREUQCSA-N 1 2 280.328 1.511 20 5 CDBDLO C[NH2+]Cc1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414644934 241294270 /nfs/dbraw/zinc/29/42/70/241294270.db2.gz PLUJCDFDGGKVDG-ZETCQYMHSA-N 1 2 280.259 1.988 20 5 CDBDLO Cc1cnc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000348495099 367420190 /nfs/dbraw/zinc/42/01/90/367420190.db2.gz OVPNZWGHUFVDNO-QMMMGPOBSA-N 1 2 281.341 1.944 20 5 CDBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ncnn1C ZINC000276620000 193403668 /nfs/dbraw/zinc/40/36/68/193403668.db2.gz FABXWDYERSVUSK-ZETCQYMHSA-N 1 2 267.314 1.636 20 5 CDBDLO COc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000225346356 374243614 /nfs/dbraw/zinc/24/36/14/374243614.db2.gz PVGZOZQXSPGAPG-LBPRGKRZSA-N 1 2 294.355 1.261 20 5 CDBDLO COc1cc(NC[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000225346356 374243619 /nfs/dbraw/zinc/24/36/19/374243619.db2.gz PVGZOZQXSPGAPG-LBPRGKRZSA-N 1 2 294.355 1.261 20 5 CDBDLO O=C1OC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370560518 374396347 /nfs/dbraw/zinc/39/63/47/374396347.db2.gz YWNRGJAEBJFHQE-GFCCVEGCSA-N 1 2 277.280 1.231 20 5 CDBDLO O=C1OC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370560518 374396352 /nfs/dbraw/zinc/39/63/52/374396352.db2.gz YWNRGJAEBJFHQE-GFCCVEGCSA-N 1 2 277.280 1.231 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373065891 374460269 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342804468 /nfs/dbraw/zinc/80/44/68/342804468.db2.gz IZZKEKBEYUEJNV-SNVBAGLBSA-N 1 2 297.742 1.503 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593507462 342804469 /nfs/dbraw/zinc/80/44/69/342804469.db2.gz IZZKEKBEYUEJNV-SNVBAGLBSA-N 1 2 297.742 1.503 20 5 CDBDLO COCCCNc1ccc(-c2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000600788983 342249353 /nfs/dbraw/zinc/24/93/53/342249353.db2.gz OLOXUHJBXVLGPJ-UHFFFAOYSA-N 1 2 288.307 1.922 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000125787575 187200128 /nfs/dbraw/zinc/20/01/28/187200128.db2.gz RQZMSHGIIWSLIZ-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2n[nH]cc2C1 ZINC000125787575 187200129 /nfs/dbraw/zinc/20/01/29/187200129.db2.gz RQZMSHGIIWSLIZ-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000595031092 342996991 /nfs/dbraw/zinc/99/69/91/342996991.db2.gz FBONAUHIOJNLCQ-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO 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370469799 /nfs/dbraw/zinc/46/97/99/370469799.db2.gz OKDPCCBCDOCADT-UHFFFAOYSA-N 1 2 295.343 1.216 20 5 CDBDLO O=[N+]([O-])c1cccc2ncnc(N3CC(n4cc[nH+]c4)C3)c21 ZINC000543438543 372780083 /nfs/dbraw/zinc/78/00/83/372780083.db2.gz QQAXOQZWFRGBSM-UHFFFAOYSA-N 1 2 296.290 1.796 20 5 CDBDLO COC(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000298749557 374128743 /nfs/dbraw/zinc/12/87/43/374128743.db2.gz JZJANCNBAPGKGJ-VIFPVBQESA-N 1 2 270.310 1.651 20 5 CDBDLO COC(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000298749557 374128753 /nfs/dbraw/zinc/12/87/53/374128753.db2.gz JZJANCNBAPGKGJ-VIFPVBQESA-N 1 2 270.310 1.651 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375840713 374517393 /nfs/dbraw/zinc/51/73/93/374517393.db2.gz MEYMWJVSAOQDCE-SNVBAGLBSA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375840713 374517398 /nfs/dbraw/zinc/51/73/98/374517398.db2.gz MEYMWJVSAOQDCE-SNVBAGLBSA-N 1 2 263.297 1.305 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000429164367 374571315 /nfs/dbraw/zinc/57/13/15/374571315.db2.gz CIGBHBUAECOWGH-UHFFFAOYSA-N 1 2 295.339 1.691 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000429164367 374571320 /nfs/dbraw/zinc/57/13/20/374571320.db2.gz CIGBHBUAECOWGH-UHFFFAOYSA-N 1 2 295.339 1.691 20 5 CDBDLO CC[C@@H](CO)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449378778 374803836 /nfs/dbraw/zinc/80/38/36/374803836.db2.gz XWJTXZHSSIFISP-JTQLQIEISA-N 1 2 254.286 1.503 20 5 CDBDLO CC[C@@H](CO)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449378778 374803842 /nfs/dbraw/zinc/80/38/42/374803842.db2.gz XWJTXZHSSIFISP-JTQLQIEISA-N 1 2 254.286 1.503 20 5 CDBDLO CO[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000330434298 374853156 /nfs/dbraw/zinc/85/31/56/374853156.db2.gz AAZPPWGCUAIXKA-BETUJISGSA-N 1 2 282.296 1.146 20 5 CDBDLO CO[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000330434298 374853161 /nfs/dbraw/zinc/85/31/61/374853161.db2.gz AAZPPWGCUAIXKA-BETUJISGSA-N 1 2 282.296 1.146 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347282085 375273185 /nfs/dbraw/zinc/27/31/85/375273185.db2.gz JCDORGVJGNNSSV-UHFFFAOYSA-N 1 2 279.231 1.779 20 5 CDBDLO C[C@H]1[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075150 375882317 /nfs/dbraw/zinc/88/23/17/375882317.db2.gz VIXIHUIUWQKDOO-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@H]1[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075150 375882322 /nfs/dbraw/zinc/88/23/22/375882322.db2.gz VIXIHUIUWQKDOO-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO O=C1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]2N1 ZINC000132255854 296335478 /nfs/dbraw/zinc/33/54/78/296335478.db2.gz NEPJXOVJWHSCCK-KBPBESRZSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]2N1 ZINC000132255854 296335481 /nfs/dbraw/zinc/33/54/81/296335481.db2.gz NEPJXOVJWHSCCK-KBPBESRZSA-N 1 2 289.335 1.838 20 5 CDBDLO COC(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491498942 253085249 /nfs/dbraw/zinc/08/52/49/253085249.db2.gz MKADQQBLGYKYKO-UHFFFAOYSA-N 1 2 293.323 1.521 20 5 CDBDLO CCCc1n[nH]c(C(=O)NCc2[nH]c[nH+]c2C)c1[N+](=O)[O-] ZINC000267123717 391167054 /nfs/dbraw/zinc/16/70/54/391167054.db2.gz USUDRMFYYOVPFJ-UHFFFAOYSA-N 1 2 292.299 1.232 20 5 CDBDLO Cc1nc(N2CC(n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000532115783 391717581 /nfs/dbraw/zinc/71/75/81/391717581.db2.gz KAHLPGZBXGOYMI-UHFFFAOYSA-N 1 2 259.269 1.556 20 5 CDBDLO Nc1c([N+](=O)[O-])cnn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000438316604 392002552 /nfs/dbraw/zinc/00/25/52/392002552.db2.gz ARLRGZMCXYTLAS-UHFFFAOYSA-N 1 2 298.306 1.667 20 5 CDBDLO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000261975400 131180562 /nfs/dbraw/zinc/18/05/62/131180562.db2.gz FSRUMOIDSFQAGC-JTQLQIEISA-N 1 2 279.296 1.254 20 5 CDBDLO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262369180 131215318 /nfs/dbraw/zinc/21/53/18/131215318.db2.gz LLUKFUCCGSIZON-SCZZXKLOSA-N 1 2 279.296 1.028 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1OCc1c[nH+]cn1C ZINC000267814580 131920619 /nfs/dbraw/zinc/92/06/19/131920619.db2.gz UZBGPFCNCKGCOR-UHFFFAOYSA-N 1 2 263.253 1.916 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420991071 392924007 /nfs/dbraw/zinc/92/40/07/392924007.db2.gz VPGGOUGKKDYBFR-JTQLQIEISA-N 1 2 281.287 1.444 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420991071 392924010 /nfs/dbraw/zinc/92/40/10/392924010.db2.gz VPGGOUGKKDYBFR-JTQLQIEISA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000230012955 140206288 /nfs/dbraw/zinc/20/62/88/140206288.db2.gz HQCIDUQILVUXDN-MFKMUULPSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000230012955 140206289 /nfs/dbraw/zinc/20/62/89/140206289.db2.gz HQCIDUQILVUXDN-MFKMUULPSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NC1CC1 ZINC000343587182 152234594 /nfs/dbraw/zinc/23/45/94/152234594.db2.gz HHSRCNGODXCHHX-SNVBAGLBSA-N 1 2 277.324 1.866 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NC1CC1 ZINC000343587182 152234597 /nfs/dbraw/zinc/23/45/97/152234597.db2.gz HHSRCNGODXCHHX-SNVBAGLBSA-N 1 2 277.324 1.866 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCn1cccn1)CCO2 ZINC000352673872 155351948 /nfs/dbraw/zinc/35/19/48/155351948.db2.gz BGHHMHOABRMFCG-UHFFFAOYSA-N 1 2 288.307 1.686 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCn1cccn1)CCO2 ZINC000352673872 155351951 /nfs/dbraw/zinc/35/19/51/155351951.db2.gz BGHHMHOABRMFCG-UHFFFAOYSA-N 1 2 288.307 1.686 20 5 CDBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349251108 154076320 /nfs/dbraw/zinc/07/63/20/154076320.db2.gz QJHCOZVOLKTSLA-VIFPVBQESA-N 1 2 290.279 1.872 20 5 CDBDLO Cc1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000037401087 173178068 /nfs/dbraw/zinc/17/80/68/173178068.db2.gz KTSMDNDRDMARCA-UHFFFAOYSA-N 1 2 265.313 1.647 20 5 CDBDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000048576505 424257285 /nfs/dbraw/zinc/25/72/85/424257285.db2.gz QVMDEKLBIFSDLQ-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413216156 288280336 /nfs/dbraw/zinc/28/03/36/288280336.db2.gz BTZJJAGBUMBLJM-RNCFNFMXSA-N 1 2 273.292 1.960 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000267210317 303020300 /nfs/dbraw/zinc/02/03/00/303020300.db2.gz BKGMWSDQTGNRTP-SECBINFHSA-N 1 2 276.300 1.783 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340903559 526078954 /nfs/dbraw/zinc/07/89/54/526078954.db2.gz IOSTZIKGWNPQKV-PWSUYJOCSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340903559 526078963 /nfs/dbraw/zinc/07/89/63/526078963.db2.gz IOSTZIKGWNPQKV-PWSUYJOCSA-N 1 2 293.323 1.297 20 5 CDBDLO O=C(COC1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581517 526924698 /nfs/dbraw/zinc/92/46/98/526924698.db2.gz VZLSYNWMBAWVNP-UHFFFAOYSA-N 1 2 295.295 1.008 20 5 CDBDLO COc1c(O)ccc(C[NH+]2CC(C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000894829991 619081541 /nfs/dbraw/zinc/08/15/41/619081541.db2.gz HWIUEDOHFWLBAD-UHFFFAOYSA-N 1 2 296.323 1.512 20 5 CDBDLO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863021 631658512 /nfs/dbraw/zinc/65/85/12/631658512.db2.gz GCVDHUCIAWJMJD-PELKAZGASA-N 1 2 288.731 1.422 20 5 CDBDLO C[C@@H](O)[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863021 631658517 /nfs/dbraw/zinc/65/85/17/631658517.db2.gz GCVDHUCIAWJMJD-PELKAZGASA-N 1 2 288.731 1.422 20 5 CDBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000793630786 1162435952 /nfs/dbraw/zinc/43/59/52/1162435952.db2.gz JMZCKZKZHAVCEF-UHFFFAOYSA-N 1 2 250.302 1.871 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865441330 1164646716 /nfs/dbraw/zinc/64/67/16/1164646716.db2.gz OYBDFLCUSFIFDV-SECBINFHSA-N 1 2 294.286 1.923 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000041816252 1166024702 /nfs/dbraw/zinc/02/47/02/1166024702.db2.gz JMFVWCJGXSHSIY-UHFFFAOYSA-N 1 2 289.295 1.263 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001173230360 912328722 /nfs/dbraw/zinc/32/87/22/912328722.db2.gz XPDFCNYMPDONOP-QWRGUYRKSA-N 1 2 277.324 1.346 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001173230360 912328740 /nfs/dbraw/zinc/32/87/40/912328740.db2.gz XPDFCNYMPDONOP-QWRGUYRKSA-N 1 2 277.324 1.346 20 5 CDBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000840122928 936938466 /nfs/dbraw/zinc/93/84/66/936938466.db2.gz JTEAXSKYVNRMBP-SKDRFNHKSA-N 1 2 268.317 1.414 20 5 CDBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000840122928 936938467 /nfs/dbraw/zinc/93/84/67/936938467.db2.gz JTEAXSKYVNRMBP-SKDRFNHKSA-N 1 2 268.317 1.414 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)cc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164493040 924901796 /nfs/dbraw/zinc/90/17/96/924901796.db2.gz MFIBLOJBDKTXQA-UHFFFAOYSA-N 1 2 292.673 1.688 20 5 CDBDLO C[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277490 926528147 /nfs/dbraw/zinc/52/81/47/926528147.db2.gz PZIYNLLTQGJQAJ-GXFFZTMASA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277490 926528144 /nfs/dbraw/zinc/52/81/44/926528144.db2.gz PZIYNLLTQGJQAJ-GXFFZTMASA-N 1 2 266.297 1.349 20 5 CDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000851752103 927621601 /nfs/dbraw/zinc/62/16/01/927621601.db2.gz ZCUJMNVTXYKAAR-GFCCVEGCSA-N 1 2 295.314 1.834 20 5 CDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000851752103 927621604 /nfs/dbraw/zinc/62/16/04/927621604.db2.gz ZCUJMNVTXYKAAR-GFCCVEGCSA-N 1 2 295.314 1.834 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000886251410 930840225 /nfs/dbraw/zinc/84/02/25/930840225.db2.gz CANMVUIZFVJVCT-LBPRGKRZSA-N 1 2 288.311 1.418 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000886251410 930840237 /nfs/dbraw/zinc/84/02/37/930840237.db2.gz CANMVUIZFVJVCT-LBPRGKRZSA-N 1 2 288.311 1.418 20 5 CDBDLO COC1(C(F)(F)F)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930742048 933441212 /nfs/dbraw/zinc/44/12/12/933441212.db2.gz GHRMJTLZFDZJGQ-UHFFFAOYSA-N 1 2 256.224 1.306 20 5 CDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(NC2C[NH+](C(C)C)C2)n1 ZINC001157526696 938504811 /nfs/dbraw/zinc/50/48/11/938504811.db2.gz WMBYZVLNTZISEQ-UHFFFAOYSA-N 1 2 285.735 1.851 20 5 CDBDLO Cc1cnc(NCC2([NH+]3CCCC3)COC2)c([N+](=O)[O-])c1 ZINC001157649836 938526199 /nfs/dbraw/zinc/52/61/99/938526199.db2.gz FLKZXKLSJRQWRY-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3C[NH2+]CC3(F)F)nc2c1 ZINC001218233400 941047131 /nfs/dbraw/zinc/04/71/31/941047131.db2.gz KSBCDSSAVUBTMK-VIFPVBQESA-N 1 2 284.222 1.457 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907951 941927979 /nfs/dbraw/zinc/92/79/79/941927979.db2.gz VVJOXBKAWKQGMU-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907951 941927983 /nfs/dbraw/zinc/92/79/83/941927983.db2.gz VVJOXBKAWKQGMU-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334878 941989764 /nfs/dbraw/zinc/98/97/64/941989764.db2.gz ZVWIMLGTRZDADS-SECBINFHSA-N 1 2 268.269 1.010 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334878 941989766 /nfs/dbraw/zinc/98/97/66/941989766.db2.gz ZVWIMLGTRZDADS-SECBINFHSA-N 1 2 268.269 1.010 20 5 CDBDLO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228972560 942401521 /nfs/dbraw/zinc/40/15/21/942401521.db2.gz YSBCZKCBMKINRY-SNVBAGLBSA-N 1 2 282.296 1.869 20 5 CDBDLO C[N@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228972560 942401522 /nfs/dbraw/zinc/40/15/22/942401522.db2.gz YSBCZKCBMKINRY-SNVBAGLBSA-N 1 2 282.296 1.869 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230314789 942606480 /nfs/dbraw/zinc/60/64/80/942606480.db2.gz HACCFIPTHRCYIT-VIFPVBQESA-N 1 2 297.267 1.212 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230314789 942606483 /nfs/dbraw/zinc/60/64/83/942606483.db2.gz HACCFIPTHRCYIT-VIFPVBQESA-N 1 2 297.267 1.212 20 5 CDBDLO Cc1nn(CCc2nnc(C[NH+](C)C)o2)c(C)c1[N+](=O)[O-] ZINC001257944675 948668512 /nfs/dbraw/zinc/66/85/12/948668512.db2.gz GZJNEDADRIHEID-UHFFFAOYSA-N 1 2 294.315 1.095 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001341816726 963551691 /nfs/dbraw/zinc/55/16/91/963551691.db2.gz RPLJUZGWDLNWSE-LBPRGKRZSA-N 1 2 299.334 1.806 20 5 CDBDLO Cn1c[nH+]cc1CCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001348626694 966100852 /nfs/dbraw/zinc/10/08/52/966100852.db2.gz NYGGSBHZXKLHMV-UHFFFAOYSA-N 1 2 283.328 1.731 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609028963 342087095 /nfs/dbraw/zinc/08/70/95/342087095.db2.gz BXJZYARBJWRSLK-UHFFFAOYSA-N 1 2 289.247 1.486 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000609150117 342092423 /nfs/dbraw/zinc/09/24/23/342092423.db2.gz OQVQMHMREOJDLR-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000609150117 342092424 /nfs/dbraw/zinc/09/24/24/342092424.db2.gz OQVQMHMREOJDLR-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000042512215 342264851 /nfs/dbraw/zinc/26/48/51/342264851.db2.gz LEVNYLICFSAYBX-SNVBAGLBSA-N 1 2 288.307 1.918 20 5 CDBDLO CC[N@H+](CCC(=O)OC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595297423 343027103 /nfs/dbraw/zinc/02/71/03/343027103.db2.gz FRTIFLMCXDJTHH-UHFFFAOYSA-N 1 2 271.273 1.276 20 5 CDBDLO CC[N@@H+](CCC(=O)OC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595297423 343027105 /nfs/dbraw/zinc/02/71/05/343027105.db2.gz FRTIFLMCXDJTHH-UHFFFAOYSA-N 1 2 271.273 1.276 20 5 CDBDLO NC(=O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595307175 343031762 /nfs/dbraw/zinc/03/17/62/343031762.db2.gz IDKODJWMCFSNRH-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO NC(=O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595307175 343031763 /nfs/dbraw/zinc/03/17/63/343031763.db2.gz IDKODJWMCFSNRH-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000126216347 187224731 /nfs/dbraw/zinc/22/47/31/187224731.db2.gz OODGUQQYGKZUIG-UGZDLDLSSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000126216347 187224733 /nfs/dbraw/zinc/22/47/33/187224733.db2.gz OODGUQQYGKZUIG-UGZDLDLSSA-N 1 2 288.344 1.933 20 5 CDBDLO CC[C@H]([NH2+]C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000595950959 343194488 /nfs/dbraw/zinc/19/44/88/343194488.db2.gz HKROGUVYGSQWNC-QMMMGPOBSA-N 1 2 253.258 1.237 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596247914 343273822 /nfs/dbraw/zinc/27/38/22/343273822.db2.gz SFOWEPBBFQACMT-LBPRGKRZSA-N 1 2 292.339 1.291 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000602768973 344574143 /nfs/dbraw/zinc/57/41/43/344574143.db2.gz ZDIYHOPUVFFZOL-ZJUUUORDSA-N 1 2 268.317 1.209 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000602768973 344574145 /nfs/dbraw/zinc/57/41/45/344574145.db2.gz ZDIYHOPUVFFZOL-ZJUUUORDSA-N 1 2 268.317 1.209 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1csnn1 ZINC000602844990 344623073 /nfs/dbraw/zinc/62/30/73/344623073.db2.gz WUVKILDTKGXEFN-ZETCQYMHSA-N 1 2 282.329 1.302 20 5 CDBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052661022 345300440 /nfs/dbraw/zinc/30/04/40/345300440.db2.gz XCOWIMGFEFJLPR-UHFFFAOYSA-N 1 2 279.340 1.895 20 5 CDBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052661022 345300443 /nfs/dbraw/zinc/30/04/43/345300443.db2.gz XCOWIMGFEFJLPR-UHFFFAOYSA-N 1 2 279.340 1.895 20 5 CDBDLO C[N@H+](CCN1CCCC1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609578217 345816552 /nfs/dbraw/zinc/81/65/52/345816552.db2.gz ZJZSYSTVMYLOFA-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO C[N@@H+](CCN1CCCC1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609578217 345816555 /nfs/dbraw/zinc/81/65/55/345816555.db2.gz ZJZSYSTVMYLOFA-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000053546567 346159007 /nfs/dbraw/zinc/15/90/07/346159007.db2.gz FWBMBDNTUBFDLR-GHMZBOCLSA-N 1 2 287.279 1.179 20 5 CDBDLO CC[C@@H](C(N)=O)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608056 365918534 /nfs/dbraw/zinc/91/85/34/365918534.db2.gz DOMXANFSNFXTGC-LBPRGKRZSA-N 1 2 263.297 1.217 20 5 CDBDLO CC[C@@H](C(N)=O)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608056 365918539 /nfs/dbraw/zinc/91/85/39/365918539.db2.gz DOMXANFSNFXTGC-LBPRGKRZSA-N 1 2 263.297 1.217 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266073547 362937174 /nfs/dbraw/zinc/93/71/74/362937174.db2.gz MKNNUKDTLZFNSM-LLVKDONJSA-N 1 2 288.307 1.539 20 5 CDBDLO Cc1c([C@H](C)[NH2+]Cc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000090969437 180077486 /nfs/dbraw/zinc/07/74/86/180077486.db2.gz FKCQKFTXWBKNNL-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000516334138 363069957 /nfs/dbraw/zinc/06/99/57/363069957.db2.gz AALFDTQRPOJGJG-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000516334138 363069963 /nfs/dbraw/zinc/06/99/63/363069963.db2.gz AALFDTQRPOJGJG-LLVKDONJSA-N 1 2 293.323 1.467 20 5 CDBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000291280793 358908672 /nfs/dbraw/zinc/90/86/72/358908672.db2.gz OPDQKLLZYPORKW-AWEZNQCLSA-N 1 2 280.324 1.832 20 5 CDBDLO COCC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000291280793 358908674 /nfs/dbraw/zinc/90/86/74/358908674.db2.gz OPDQKLLZYPORKW-AWEZNQCLSA-N 1 2 280.324 1.832 20 5 CDBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1[nH]cc[nH+]1 ZINC000338880497 359191596 /nfs/dbraw/zinc/19/15/96/359191596.db2.gz ATYWNXOEBWGFMD-NSHDSACASA-N 1 2 291.311 1.784 20 5 CDBDLO CCOC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000050064010 359290047 /nfs/dbraw/zinc/29/00/47/359290047.db2.gz TYULIRBKBNHQCG-UHFFFAOYSA-N 1 2 296.327 1.127 20 5 CDBDLO CCOC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000050064010 359290049 /nfs/dbraw/zinc/29/00/49/359290049.db2.gz TYULIRBKBNHQCG-UHFFFAOYSA-N 1 2 296.327 1.127 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135586737 359734443 /nfs/dbraw/zinc/73/44/43/359734443.db2.gz TZUIKMSNPGRSAT-UHFFFAOYSA-N 1 2 292.335 1.976 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135586737 359734445 /nfs/dbraw/zinc/73/44/45/359734445.db2.gz TZUIKMSNPGRSAT-UHFFFAOYSA-N 1 2 292.335 1.976 20 5 CDBDLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000135627243 359792780 /nfs/dbraw/zinc/79/27/80/359792780.db2.gz IUTJOAJHXBJTAT-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000135627243 359792786 /nfs/dbraw/zinc/79/27/86/359792786.db2.gz IUTJOAJHXBJTAT-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO CNC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267078139 363727883 /nfs/dbraw/zinc/72/78/83/363727883.db2.gz QDOJTTMFQHXFKR-UHFFFAOYSA-N 1 2 278.312 1.052 20 5 CDBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000301801745 201206916 /nfs/dbraw/zinc/20/69/16/201206916.db2.gz WQLISZPCBBSTIA-LLVKDONJSA-N 1 2 280.303 1.146 20 5 CDBDLO Cc1cnc(OCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170605614 364235629 /nfs/dbraw/zinc/23/56/29/364235629.db2.gz WIFAJFWLJLFGEH-LLVKDONJSA-N 1 2 281.312 1.398 20 5 CDBDLO Cc1cnc(OCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170605614 364235636 /nfs/dbraw/zinc/23/56/36/364235636.db2.gz WIFAJFWLJLFGEH-LLVKDONJSA-N 1 2 281.312 1.398 20 5 CDBDLO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182012943 365063978 /nfs/dbraw/zinc/06/39/78/365063978.db2.gz DJEBITHXKIWADU-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182012943 365063982 /nfs/dbraw/zinc/06/39/82/365063982.db2.gz DJEBITHXKIWADU-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000270839527 366936597 /nfs/dbraw/zinc/93/65/97/366936597.db2.gz FOAHIQFBGBFQEL-AWEZNQCLSA-N 1 2 292.335 1.883 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000270839527 366936600 /nfs/dbraw/zinc/93/66/00/366936600.db2.gz FOAHIQFBGBFQEL-AWEZNQCLSA-N 1 2 292.335 1.883 20 5 CDBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295650555 370548107 /nfs/dbraw/zinc/54/81/07/370548107.db2.gz GHPYWWSXMCMUAD-UHFFFAOYSA-N 1 2 275.268 1.709 20 5 CDBDLO CCc1nn(C)c(N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000091560640 374041914 /nfs/dbraw/zinc/04/19/14/374041914.db2.gz XZXHMBLMLVVLDV-JTQLQIEISA-N 1 2 297.359 1.023 20 5 CDBDLO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423730851 246008137 /nfs/dbraw/zinc/00/81/37/246008137.db2.gz NROJLPGBPDVXDN-MFKMUULPSA-N 1 2 293.323 1.873 20 5 CDBDLO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274676711 374680282 /nfs/dbraw/zinc/68/02/82/374680282.db2.gz LGSYYMHRJDWIJI-VIFPVBQESA-N 1 2 281.312 1.370 20 5 CDBDLO CCCc1n[nH]c(C(=O)NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC000275277504 374693139 /nfs/dbraw/zinc/69/31/39/374693139.db2.gz UVTVRAAPOYVYQE-UHFFFAOYSA-N 1 2 295.343 1.093 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278277176 374836127 /nfs/dbraw/zinc/83/61/27/374836127.db2.gz BHWAWPAXEXHRGB-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NCCC[N@H+]1CCNC(=O)C1 ZINC000278277176 374836131 /nfs/dbraw/zinc/83/61/31/374836131.db2.gz BHWAWPAXEXHRGB-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282564215 375095106 /nfs/dbraw/zinc/09/51/06/375095106.db2.gz YTQYMLRWVBVMGH-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282564215 375095112 /nfs/dbraw/zinc/09/51/12/375095112.db2.gz YTQYMLRWVBVMGH-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO CN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000283025283 375108583 /nfs/dbraw/zinc/10/85/83/375108583.db2.gz HDKSMFAEKSCBPB-GFCCVEGCSA-N 1 2 281.287 1.396 20 5 CDBDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000283025283 375108584 /nfs/dbraw/zinc/10/85/84/375108584.db2.gz HDKSMFAEKSCBPB-GFCCVEGCSA-N 1 2 281.287 1.396 20 5 CDBDLO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCC1(F)F ZINC000352018603 375347839 /nfs/dbraw/zinc/34/78/39/375347839.db2.gz RFAPWDOWLCMNDH-QMMMGPOBSA-N 1 2 274.271 1.805 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCC1(F)F ZINC000352018603 375347842 /nfs/dbraw/zinc/34/78/42/375347842.db2.gz RFAPWDOWLCMNDH-QMMMGPOBSA-N 1 2 274.271 1.805 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000353161903 375582105 /nfs/dbraw/zinc/58/21/05/375582105.db2.gz NZFKRHHJBKQBDK-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000357130124 375797757 /nfs/dbraw/zinc/79/77/57/375797757.db2.gz PPIYIKKIBBTXEG-MRVPVSSYSA-N 1 2 290.283 1.327 20 5 CDBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000357130124 375797763 /nfs/dbraw/zinc/79/77/63/375797763.db2.gz PPIYIKKIBBTXEG-MRVPVSSYSA-N 1 2 290.283 1.327 20 5 CDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]1 ZINC000357241236 375857661 /nfs/dbraw/zinc/85/76/61/375857661.db2.gz NBINGSOUJKYXEB-SCZZXKLOSA-N 1 2 279.296 1.171 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000357670766 375925256 /nfs/dbraw/zinc/92/52/56/375925256.db2.gz XFSAPEATQAMDPO-UHFFFAOYSA-N 1 2 289.295 1.328 20 5 CDBDLO O=[N+]([O-])c1c(N2CCn3c[nH+]cc3C2)nc2sccn21 ZINC000290702345 285078656 /nfs/dbraw/zinc/07/86/56/285078656.db2.gz NQBAFISDZFFRBI-UHFFFAOYSA-N 1 2 290.308 1.521 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c(F)c1 ZINC000290695029 285132594 /nfs/dbraw/zinc/13/25/94/285132594.db2.gz MVZQJOJRVXBRRC-UHFFFAOYSA-N 1 2 262.244 1.951 20 5 CDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000378264389 390926450 /nfs/dbraw/zinc/92/64/50/390926450.db2.gz KHAFPSHOEHXKTM-VIFPVBQESA-N 1 2 290.279 1.551 20 5 CDBDLO COC[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413151829 391166257 /nfs/dbraw/zinc/16/62/57/391166257.db2.gz XVNVIZXKPXBOJV-NSHDSACASA-N 1 2 277.280 1.562 20 5 CDBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106453 391618606 /nfs/dbraw/zinc/61/86/06/391618606.db2.gz GRXLQADZDVYQMO-ZRNGKTOUSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106453 391618610 /nfs/dbraw/zinc/61/86/10/391618610.db2.gz GRXLQADZDVYQMO-ZRNGKTOUSA-N 1 2 288.344 1.933 20 5 CDBDLO Nc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000192030420 392007528 /nfs/dbraw/zinc/00/75/28/392007528.db2.gz AUGMCKPGHBDBRQ-UHFFFAOYSA-N 1 2 287.279 1.894 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493648897 393215867 /nfs/dbraw/zinc/21/58/67/393215867.db2.gz SNGOPNFJMXGYOM-SREVYHEPSA-N 1 2 286.291 1.658 20 5 CDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000346968386 153362305 /nfs/dbraw/zinc/36/23/05/153362305.db2.gz UWXZKZWLCQLEHE-JGRMJRGVSA-N 1 2 296.392 1.979 20 5 CDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000346968386 153362307 /nfs/dbraw/zinc/36/23/07/153362307.db2.gz UWXZKZWLCQLEHE-JGRMJRGVSA-N 1 2 296.392 1.979 20 5 CDBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC000359835310 158393973 /nfs/dbraw/zinc/39/39/73/158393973.db2.gz JBJCATDIBSMYKP-UHFFFAOYSA-N 1 2 258.281 1.770 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363820948 287145096 /nfs/dbraw/zinc/14/50/96/287145096.db2.gz KJGFYUPILCZIBA-GWCFXTLKSA-N 1 2 291.307 1.792 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000363820948 287145097 /nfs/dbraw/zinc/14/50/97/287145097.db2.gz KJGFYUPILCZIBA-GWCFXTLKSA-N 1 2 291.307 1.792 20 5 CDBDLO CC[C@@H](F)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459511182 276431700 /nfs/dbraw/zinc/43/17/00/276431700.db2.gz ORXVBRHMZTWTBD-LLVKDONJSA-N 1 2 282.319 1.860 20 5 CDBDLO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000383225523 323661767 /nfs/dbraw/zinc/66/17/67/323661767.db2.gz BOYNYSGORNTLBE-SSDOTTSWSA-N 1 2 265.269 1.379 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840184312 1160272929 /nfs/dbraw/zinc/27/29/29/1160272929.db2.gz KQDWHPBWERCDKY-GFCCVEGCSA-N 1 2 282.300 1.024 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840184312 1160272934 /nfs/dbraw/zinc/27/29/34/1160272934.db2.gz KQDWHPBWERCDKY-GFCCVEGCSA-N 1 2 282.300 1.024 20 5 CDBDLO CN(C(=O)C[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363435415 523819259 /nfs/dbraw/zinc/81/92/59/523819259.db2.gz TULOQHIQLRJZEE-UHFFFAOYSA-N 1 2 293.323 1.280 20 5 CDBDLO CN(C(=O)C[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363435415 523819262 /nfs/dbraw/zinc/81/92/62/523819262.db2.gz TULOQHIQLRJZEE-UHFFFAOYSA-N 1 2 293.323 1.280 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340903557 526078171 /nfs/dbraw/zinc/07/81/71/526078171.db2.gz IOSTZIKGWNPQKV-JQWIXIFHSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340903557 526078177 /nfs/dbraw/zinc/07/81/77/526078177.db2.gz IOSTZIKGWNPQKV-JQWIXIFHSA-N 1 2 293.323 1.297 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000758975025 577144816 /nfs/dbraw/zinc/14/48/16/577144816.db2.gz XVKSACUGTLLBSA-UHFFFAOYSA-N 1 2 266.301 1.251 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000758975025 577144818 /nfs/dbraw/zinc/14/48/18/577144818.db2.gz XVKSACUGTLLBSA-UHFFFAOYSA-N 1 2 266.301 1.251 20 5 CDBDLO Cc1ccnc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895245593 619487110 /nfs/dbraw/zinc/48/71/10/619487110.db2.gz GOCYUCJXUPAEIB-VXGBXAGGSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccnc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895245593 619487112 /nfs/dbraw/zinc/48/71/12/619487112.db2.gz GOCYUCJXUPAEIB-VXGBXAGGSA-N 1 2 293.371 1.344 20 5 CDBDLO COCC1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000895971446 619929482 /nfs/dbraw/zinc/92/94/82/619929482.db2.gz QGIQGIDZWMTWNX-UHFFFAOYSA-N 1 2 294.307 1.444 20 5 CDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC000908127715 628036512 /nfs/dbraw/zinc/03/65/12/628036512.db2.gz YFEUGLXDVOHDQX-UHFFFAOYSA-N 1 2 288.307 1.562 20 5 CDBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449483 630556910 /nfs/dbraw/zinc/55/69/10/630556910.db2.gz ZNLSFJMKOBPOFX-GHMZBOCLSA-N 1 2 282.344 1.884 20 5 CDBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449483 630556913 /nfs/dbraw/zinc/55/69/13/630556913.db2.gz ZNLSFJMKOBPOFX-GHMZBOCLSA-N 1 2 282.344 1.884 20 5 CDBDLO C[C@H](O)[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863036 631658107 /nfs/dbraw/zinc/65/81/07/631658107.db2.gz GCVDHUCIAWJMJD-QPUJVOFHSA-N 1 2 288.731 1.422 20 5 CDBDLO C[C@H](O)[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863036 631658113 /nfs/dbraw/zinc/65/81/13/631658113.db2.gz GCVDHUCIAWJMJD-QPUJVOFHSA-N 1 2 288.731 1.422 20 5 CDBDLO CC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794617707 1164527840 /nfs/dbraw/zinc/52/78/40/1164527840.db2.gz WAKUJKAEEGKFKM-UHFFFAOYSA-N 1 2 277.280 1.945 20 5 CDBDLO CC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794617707 1164527845 /nfs/dbraw/zinc/52/78/45/1164527845.db2.gz WAKUJKAEEGKFKM-UHFFFAOYSA-N 1 2 277.280 1.945 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1 ZINC001168366745 909886337 /nfs/dbraw/zinc/88/63/37/909886337.db2.gz FGDRKIYRLXGLNN-SNVBAGLBSA-N 1 2 278.312 1.265 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1 ZINC001168366745 909886346 /nfs/dbraw/zinc/88/63/46/909886346.db2.gz FGDRKIYRLXGLNN-SNVBAGLBSA-N 1 2 278.312 1.265 20 5 CDBDLO C[NH+](C)CCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001118703431 924766463 /nfs/dbraw/zinc/76/64/63/924766463.db2.gz QFUGTFNAHYAUKK-UHFFFAOYSA-N 1 2 295.339 1.482 20 5 CDBDLO COC(=O)[C@@H]1C[C@H](Nc2c(C)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001164304824 939449712 /nfs/dbraw/zinc/44/97/12/939449712.db2.gz HHPCJSVDOPHUIE-UWVGGRQHSA-N 1 2 279.296 1.219 20 5 CDBDLO COc1cc(COC2C[NH+](C)C2)cc([N+](=O)[O-])c1 ZINC001223392760 941675026 /nfs/dbraw/zinc/67/50/26/941675026.db2.gz BAHJZWWRMWRTJC-UHFFFAOYSA-N 1 2 252.270 1.434 20 5 CDBDLO C[N@@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620147 941889837 /nfs/dbraw/zinc/88/98/37/941889837.db2.gz NPHHLCFQRGSNPO-VIFPVBQESA-N 1 2 252.270 1.773 20 5 CDBDLO C[N@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620147 941889839 /nfs/dbraw/zinc/88/98/39/941889839.db2.gz NPHHLCFQRGSNPO-VIFPVBQESA-N 1 2 252.270 1.773 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225913512 941928356 /nfs/dbraw/zinc/92/83/56/941928356.db2.gz UXTFNTVDDACLBE-JTQLQIEISA-N 1 2 284.287 1.833 20 5 CDBDLO CC[NH+]1CC(Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227239234 942155091 /nfs/dbraw/zinc/15/50/91/942155091.db2.gz VCZQNPJFBLCBKP-UHFFFAOYSA-N 1 2 263.253 1.819 20 5 CDBDLO COc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001320122319 958950724 /nfs/dbraw/zinc/95/07/24/958950724.db2.gz XPGOFGGUGGFBTQ-VIFPVBQESA-N 1 2 290.279 2.000 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001335089976 959572537 /nfs/dbraw/zinc/57/25/37/959572537.db2.gz USHIJTADOBMZNS-NSHDSACASA-N 1 2 295.343 1.216 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131211 342091413 /nfs/dbraw/zinc/09/14/13/342091413.db2.gz KKJOEPOJRMQGJX-SNVBAGLBSA-N 1 2 289.295 1.597 20 5 CDBDLO COc1cc(C[NH2+]Cc2cocn2)c([N+](=O)[O-])cc1O ZINC000609353990 342103780 /nfs/dbraw/zinc/10/37/80/342103780.db2.gz IIEMXGQRGLCKTI-UHFFFAOYSA-N 1 2 279.252 1.587 20 5 CDBDLO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592473459 342698634 /nfs/dbraw/zinc/69/86/34/342698634.db2.gz PJZQAAGFBFMCRN-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO Cc1noc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595352870 343037670 /nfs/dbraw/zinc/03/76/70/343037670.db2.gz PWLPKQHCSPQTCX-ONGXEEELSA-N 1 2 299.352 1.598 20 5 CDBDLO Cc1noc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595352870 343037671 /nfs/dbraw/zinc/03/76/71/343037671.db2.gz PWLPKQHCSPQTCX-ONGXEEELSA-N 1 2 299.352 1.598 20 5 CDBDLO Cc1noc(C[N@H+](C)CC2=CCSC2)c1[N+](=O)[O-] ZINC000595887912 343181042 /nfs/dbraw/zinc/18/10/42/343181042.db2.gz HMKGEBHNQVNNBP-UHFFFAOYSA-N 1 2 269.326 1.996 20 5 CDBDLO Cc1noc(C[N@@H+](C)CC2=CCSC2)c1[N+](=O)[O-] ZINC000595887912 343181044 /nfs/dbraw/zinc/18/10/44/343181044.db2.gz HMKGEBHNQVNNBP-UHFFFAOYSA-N 1 2 269.326 1.996 20 5 CDBDLO COC(=O)[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595819951 343166146 /nfs/dbraw/zinc/16/61/46/343166146.db2.gz RKIRUXRYINTIKE-WCBMZHEXSA-N 1 2 297.311 1.522 20 5 CDBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595819951 343166147 /nfs/dbraw/zinc/16/61/47/343166147.db2.gz RKIRUXRYINTIKE-WCBMZHEXSA-N 1 2 297.311 1.522 20 5 CDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000598950631 343933827 /nfs/dbraw/zinc/93/38/27/343933827.db2.gz UCJUXOIXODUEKV-NSHDSACASA-N 1 2 286.291 1.536 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1COCC[N@H+]1C ZINC000599160769 343970989 /nfs/dbraw/zinc/97/09/89/343970989.db2.gz NAGPCLQZWYNTKG-LLVKDONJSA-N 1 2 265.313 1.646 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1COCC[N@@H+]1C ZINC000599160769 343970991 /nfs/dbraw/zinc/97/09/91/343970991.db2.gz NAGPCLQZWYNTKG-LLVKDONJSA-N 1 2 265.313 1.646 20 5 CDBDLO CCc1nn(C)c(NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000611281118 346734891 /nfs/dbraw/zinc/73/48/91/346734891.db2.gz YOGUCXDBPGXMMK-JTQLQIEISA-N 1 2 297.359 1.023 20 5 CDBDLO CCc1nn(C)c(NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000611281118 346734894 /nfs/dbraw/zinc/73/48/94/346734894.db2.gz YOGUCXDBPGXMMK-JTQLQIEISA-N 1 2 297.359 1.023 20 5 CDBDLO CCCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605941 365915856 /nfs/dbraw/zinc/91/58/56/365915856.db2.gz VWBDXZSMYKCBEY-NSHDSACASA-N 1 2 291.351 1.868 20 5 CDBDLO CCCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605941 365915858 /nfs/dbraw/zinc/91/58/58/365915858.db2.gz VWBDXZSMYKCBEY-NSHDSACASA-N 1 2 291.351 1.868 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000155221870 188191841 /nfs/dbraw/zinc/19/18/41/188191841.db2.gz RRQCNKMOTFVDFK-UHFFFAOYSA-N 1 2 278.308 1.934 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000155221870 188191843 /nfs/dbraw/zinc/19/18/43/188191843.db2.gz RRQCNKMOTFVDFK-UHFFFAOYSA-N 1 2 278.308 1.934 20 5 CDBDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000157229247 188304674 /nfs/dbraw/zinc/30/46/74/188304674.db2.gz NLNXGZVTAISRFJ-BXUZGUMPSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000157229247 188304675 /nfs/dbraw/zinc/30/46/75/188304675.db2.gz NLNXGZVTAISRFJ-BXUZGUMPSA-N 1 2 280.324 1.567 20 5 CDBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000292549136 198329020 /nfs/dbraw/zinc/32/90/20/198329020.db2.gz IUFQPFDIEMRZNP-UHFFFAOYSA-N 1 2 297.330 1.811 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000022807717 356203411 /nfs/dbraw/zinc/20/34/11/356203411.db2.gz ABDJTLMKOKHBLE-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000037148617 363466373 /nfs/dbraw/zinc/46/63/73/363466373.db2.gz NYVYNKCQOMLCPG-JTQLQIEISA-N 1 2 287.323 1.983 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000338054873 358668456 /nfs/dbraw/zinc/66/84/56/358668456.db2.gz OTAJYGJOMPUKPX-JTQLQIEISA-N 1 2 288.311 1.414 20 5 CDBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000451144014 359039095 /nfs/dbraw/zinc/03/90/95/359039095.db2.gz ZMMFBYLVYYJJAX-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000451144014 359039098 /nfs/dbraw/zinc/03/90/98/359039098.db2.gz ZMMFBYLVYYJJAX-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000339057919 359283074 /nfs/dbraw/zinc/28/30/74/359283074.db2.gz IKYMJHVXOPZOEG-NOZJJQNGSA-N 1 2 266.297 1.503 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000339057919 359283079 /nfs/dbraw/zinc/28/30/79/359283079.db2.gz IKYMJHVXOPZOEG-NOZJJQNGSA-N 1 2 266.297 1.503 20 5 CDBDLO CCn1cnnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581201942 363971653 /nfs/dbraw/zinc/97/16/53/363971653.db2.gz ZHNZDGGRMRTOKV-GFCCVEGCSA-N 1 2 287.323 1.983 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412118524 240028482 /nfs/dbraw/zinc/02/84/82/240028482.db2.gz FIYBMJSPZLRGFV-QWHCGFSZSA-N 1 2 286.291 1.738 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412118524 240028486 /nfs/dbraw/zinc/02/84/86/240028486.db2.gz FIYBMJSPZLRGFV-QWHCGFSZSA-N 1 2 286.291 1.738 20 5 CDBDLO Cc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000275753445 193120059 /nfs/dbraw/zinc/12/00/59/193120059.db2.gz DQHFSWWHYXMFDM-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO C[C@H]([NH2+]C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000383225557 372779573 /nfs/dbraw/zinc/77/95/73/372779573.db2.gz BOYNYSGORNTLBE-ZETCQYMHSA-N 1 2 265.269 1.379 20 5 CDBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000368316667 373158564 /nfs/dbraw/zinc/15/85/64/373158564.db2.gz LZBXZWPRFYQKQZ-UHFFFAOYSA-N 1 2 290.254 1.586 20 5 CDBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2cnnc2C1 ZINC000121827230 373462340 /nfs/dbraw/zinc/46/23/40/373462340.db2.gz WEEMFCDHNDVPBA-HWKANZROSA-N 1 2 285.307 1.715 20 5 CDBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2cnnc2C1 ZINC000121827230 373462351 /nfs/dbraw/zinc/46/23/51/373462351.db2.gz WEEMFCDHNDVPBA-HWKANZROSA-N 1 2 285.307 1.715 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000369135113 374347758 /nfs/dbraw/zinc/34/77/58/374347758.db2.gz SQKOADDGSKLROT-WFASDCNBSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000369135113 374347762 /nfs/dbraw/zinc/34/77/62/374347762.db2.gz SQKOADDGSKLROT-WFASDCNBSA-N 1 2 292.335 1.975 20 5 CDBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCO)CC1 ZINC000276387760 374732795 /nfs/dbraw/zinc/73/27/95/374732795.db2.gz DTCZESYJPGSYGX-UHFFFAOYSA-N 1 2 299.758 1.671 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOCC23CCC3)c1 ZINC000154673612 374735140 /nfs/dbraw/zinc/73/51/40/374735140.db2.gz PVLCOXKXYQMMEJ-CQSZACIVSA-N 1 2 292.335 1.883 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOCC23CCC3)c1 ZINC000154673612 374735146 /nfs/dbraw/zinc/73/51/46/374735146.db2.gz PVLCOXKXYQMMEJ-CQSZACIVSA-N 1 2 292.335 1.883 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277495684 374789624 /nfs/dbraw/zinc/78/96/24/374789624.db2.gz NRKUEBCIUBLUAR-WLRWDXFRSA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277495684 374789628 /nfs/dbraw/zinc/78/96/28/374789628.db2.gz NRKUEBCIUBLUAR-WLRWDXFRSA-N 1 2 282.365 1.795 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000331100179 374888626 /nfs/dbraw/zinc/88/86/26/374888626.db2.gz BCYNREWDEJEEHD-AWEZNQCLSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000331100179 374888633 /nfs/dbraw/zinc/88/86/33/374888633.db2.gz BCYNREWDEJEEHD-AWEZNQCLSA-N 1 2 293.323 1.298 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000355252402 375785288 /nfs/dbraw/zinc/78/52/88/375785288.db2.gz LTTPTOMIZVGKCZ-UHFFFAOYSA-N 1 2 260.253 1.258 20 5 CDBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000163760106 375779641 /nfs/dbraw/zinc/77/96/41/375779641.db2.gz HMTULUDSDQOBJE-CYBMUJFWSA-N 1 2 280.324 1.567 20 5 CDBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000163760106 375779645 /nfs/dbraw/zinc/77/96/45/375779645.db2.gz HMTULUDSDQOBJE-CYBMUJFWSA-N 1 2 280.324 1.567 20 5 CDBDLO O=c1ccn(Cc2[nH+]ccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000434646870 248124664 /nfs/dbraw/zinc/12/46/64/248124664.db2.gz DERHMDBFGQEVKC-UHFFFAOYSA-N 1 2 296.286 1.991 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000173612181 378716212 /nfs/dbraw/zinc/71/62/12/378716212.db2.gz SGKJCZRTUVLSAF-CYBMUJFWSA-N 1 2 293.323 1.481 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000173612181 378716214 /nfs/dbraw/zinc/71/62/14/378716214.db2.gz SGKJCZRTUVLSAF-CYBMUJFWSA-N 1 2 293.323 1.481 20 5 CDBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268167951 190382609 /nfs/dbraw/zinc/38/26/09/190382609.db2.gz KIDOSIJKJUHZNU-CYBMUJFWSA-N 1 2 298.364 1.604 20 5 CDBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268167951 190382610 /nfs/dbraw/zinc/38/26/10/190382610.db2.gz KIDOSIJKJUHZNU-CYBMUJFWSA-N 1 2 298.364 1.604 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@]3(O)CCOC3)c2c1 ZINC000413202269 391178044 /nfs/dbraw/zinc/17/80/44/391178044.db2.gz LYCQNTKAALGTRN-AWEZNQCLSA-N 1 2 289.291 1.706 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C[N@@H+]1C ZINC000408409972 391331573 /nfs/dbraw/zinc/33/15/73/391331573.db2.gz HEAIQVXYEKOXSB-ZJUUUORDSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C[N@H+]1C ZINC000408409972 391331575 /nfs/dbraw/zinc/33/15/75/391331575.db2.gz HEAIQVXYEKOXSB-ZJUUUORDSA-N 1 2 293.323 1.465 20 5 CDBDLO Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC000421556328 392937988 /nfs/dbraw/zinc/93/79/88/392937988.db2.gz JREHXTSIRVKSNX-UHFFFAOYSA-N 1 2 289.295 1.120 20 5 CDBDLO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000377424313 393082762 /nfs/dbraw/zinc/08/27/62/393082762.db2.gz BTPVZKHERUECMX-MCIONIFRSA-N 1 2 289.335 1.167 20 5 CDBDLO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000377424313 393082769 /nfs/dbraw/zinc/08/27/69/393082769.db2.gz BTPVZKHERUECMX-MCIONIFRSA-N 1 2 289.335 1.167 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nncn1C ZINC000430217914 393092699 /nfs/dbraw/zinc/09/26/99/393092699.db2.gz KMFICAHYHVZPPZ-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO Cc1nnc([C@H](C)[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]1 ZINC000331952042 393149830 /nfs/dbraw/zinc/14/98/30/393149830.db2.gz IDSLFBWAIBQQLA-QMMMGPOBSA-N 1 2 288.311 1.536 20 5 CDBDLO Cc1nnc([C@H](C)[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]1 ZINC000331952042 393149836 /nfs/dbraw/zinc/14/98/36/393149836.db2.gz IDSLFBWAIBQQLA-QMMMGPOBSA-N 1 2 288.311 1.536 20 5 CDBDLO C[N@H+](CCOCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285312148 196247796 /nfs/dbraw/zinc/24/77/96/196247796.db2.gz MWNQKWXCVCPTPQ-UHFFFAOYSA-N 1 2 290.266 1.314 20 5 CDBDLO C[N@@H+](CCOCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285312148 196247798 /nfs/dbraw/zinc/24/77/98/196247798.db2.gz MWNQKWXCVCPTPQ-UHFFFAOYSA-N 1 2 290.266 1.314 20 5 CDBDLO COc1cc(C[NH2+]Cc2ccno2)c([N+](=O)[O-])cc1OC ZINC000516651147 261641591 /nfs/dbraw/zinc/64/15/91/261641591.db2.gz QSQGVUOAYRAMNA-UHFFFAOYSA-N 1 2 293.279 1.890 20 5 CDBDLO [NH3+][C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCC1 ZINC000399176613 270369692 /nfs/dbraw/zinc/36/96/92/270369692.db2.gz HZJHYHGWERNSMN-LLVKDONJSA-N 1 2 265.269 1.366 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000541552170 289498252 /nfs/dbraw/zinc/49/82/52/289498252.db2.gz WSMLULJMFIZLIK-UHFFFAOYSA-N 1 2 288.307 1.230 20 5 CDBDLO O=C1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246613397 527003947 /nfs/dbraw/zinc/00/39/47/527003947.db2.gz NEPJXOVJWHSCCK-UONOGXRCSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246613397 527003952 /nfs/dbraw/zinc/00/39/52/527003952.db2.gz NEPJXOVJWHSCCK-UONOGXRCSA-N 1 2 289.335 1.838 20 5 CDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000339204606 527458663 /nfs/dbraw/zinc/45/86/63/527458663.db2.gz IDAGAPMWTVOPNI-SECBINFHSA-N 1 2 289.295 1.286 20 5 CDBDLO CCOC1CC([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000808211500 678361303 /nfs/dbraw/zinc/36/13/03/678361303.db2.gz BHDHOZADXYOLIA-UHFFFAOYSA-N 1 2 282.344 1.865 20 5 CDBDLO CCOC1CC([N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000808211500 678361308 /nfs/dbraw/zinc/36/13/08/678361308.db2.gz BHDHOZADXYOLIA-UHFFFAOYSA-N 1 2 282.344 1.865 20 5 CDBDLO Cn1cc(Br)cc1C[N@H+](C)CC[N+](=O)[O-] ZINC000791053005 618741345 /nfs/dbraw/zinc/74/13/45/618741345.db2.gz RLEVCJKWNPKSPP-UHFFFAOYSA-N 1 2 276.134 1.496 20 5 CDBDLO Cn1cc(Br)cc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000791053005 618741346 /nfs/dbraw/zinc/74/13/46/618741346.db2.gz RLEVCJKWNPKSPP-UHFFFAOYSA-N 1 2 276.134 1.496 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@@H]2CO)c2cc([N+](=O)[O-])ccc12 ZINC000902631423 625062928 /nfs/dbraw/zinc/06/29/28/625062928.db2.gz HOWOFWBFQXZEBR-LLVKDONJSA-N 1 2 276.296 1.277 20 5 CDBDLO Cc1nn(C[N@H+]2CC[C@@H]2CO)c2cc([N+](=O)[O-])ccc12 ZINC000902631423 625062931 /nfs/dbraw/zinc/06/29/31/625062931.db2.gz HOWOFWBFQXZEBR-LLVKDONJSA-N 1 2 276.296 1.277 20 5 CDBDLO Cc1noc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000914795371 631573526 /nfs/dbraw/zinc/57/35/26/631573526.db2.gz OJIYLZLXXXKZEY-UFBFGSQYSA-N 1 2 292.295 1.670 20 5 CDBDLO C[N@H+](CC[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000798193666 677790818 /nfs/dbraw/zinc/79/08/18/677790818.db2.gz NXPLSFAQNYTNEI-JTQLQIEISA-N 1 2 252.270 1.035 20 5 CDBDLO C[N@@H+](CC[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000798193666 677790823 /nfs/dbraw/zinc/79/08/23/677790823.db2.gz NXPLSFAQNYTNEI-JTQLQIEISA-N 1 2 252.270 1.035 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000886147246 677824236 /nfs/dbraw/zinc/82/42/36/677824236.db2.gz MTBSGFVBMMUCNH-UHFFFAOYSA-N 1 2 287.266 1.582 20 5 CDBDLO Cc1nn(C)c(C(=O)OCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000783170295 679055880 /nfs/dbraw/zinc/05/58/80/679055880.db2.gz BAUOGHMIDMAAAN-UHFFFAOYSA-N 1 2 293.283 1.080 20 5 CDBDLO CCOc1nc(NC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001155198246 1167106568 /nfs/dbraw/zinc/10/65/68/1167106568.db2.gz YCVPDJTWLDXICX-SNVBAGLBSA-N 1 2 296.327 1.131 20 5 CDBDLO CCOc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001155198246 1167106571 /nfs/dbraw/zinc/10/65/71/1167106571.db2.gz YCVPDJTWLDXICX-SNVBAGLBSA-N 1 2 296.327 1.131 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001173230970 912325883 /nfs/dbraw/zinc/32/58/83/912325883.db2.gz HIEAXJUOMKESAA-DDTOSNHZSA-N 1 2 262.309 1.999 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001173230970 912325897 /nfs/dbraw/zinc/32/58/97/912325897.db2.gz HIEAXJUOMKESAA-DDTOSNHZSA-N 1 2 262.309 1.999 20 5 CDBDLO Nc1cc(CNc2ncnc(Cl)c2[N+](=O)[O-])cc[nH+]1 ZINC001167612372 897032267 /nfs/dbraw/zinc/03/22/67/897032267.db2.gz FEDYNBUXSQENRW-UHFFFAOYSA-N 1 2 280.675 1.628 20 5 CDBDLO O=[N+]([O-])c1c(F)nccc1NCCCn1cc[nH+]c1 ZINC000881736011 929892848 /nfs/dbraw/zinc/89/28/48/929892848.db2.gz VUHQGKXQCLSVFN-UHFFFAOYSA-N 1 2 265.248 1.828 20 5 CDBDLO O=[N+]([O-])c1cccc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164489030 939478583 /nfs/dbraw/zinc/47/85/83/939478583.db2.gz XGRIWYXHSPJCSU-UHFFFAOYSA-N 1 2 258.228 1.035 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225780147 941912302 /nfs/dbraw/zinc/91/23/02/941912302.db2.gz WBNXTHBUNQDQNF-MRVPVSSYSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225780147 941912306 /nfs/dbraw/zinc/91/23/06/941912306.db2.gz WBNXTHBUNQDQNF-MRVPVSSYSA-N 1 2 288.250 1.582 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001226444434 942006583 /nfs/dbraw/zinc/00/65/83/942006583.db2.gz AGMNGCPMPDCDAV-NSHDSACASA-N 1 2 282.296 1.313 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001226444434 942006586 /nfs/dbraw/zinc/00/65/86/942006586.db2.gz AGMNGCPMPDCDAV-NSHDSACASA-N 1 2 282.296 1.313 20 5 CDBDLO CC[NH+]1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228970189 942401877 /nfs/dbraw/zinc/40/18/77/942401877.db2.gz GXXODJXCHQBSSF-UHFFFAOYSA-N 1 2 282.296 1.869 20 5 CDBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001230724456 942685965 /nfs/dbraw/zinc/68/59/65/942685965.db2.gz WDXOFPBFGRSRPR-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001230724456 942685969 /nfs/dbraw/zinc/68/59/69/942685969.db2.gz WDXOFPBFGRSRPR-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO CC(C)C[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000701338896 944436713 /nfs/dbraw/zinc/43/67/13/944436713.db2.gz YHICGLAVTIOAAF-UHFFFAOYSA-N 1 2 267.285 1.485 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC(F)(F)CO)C2 ZINC001254578759 947535506 /nfs/dbraw/zinc/53/55/06/947535506.db2.gz MVBZSNHECNJMIV-SNVBAGLBSA-N 1 2 272.251 1.279 20 5 CDBDLO CC[N@H+](CC(=O)OC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612805 947555713 /nfs/dbraw/zinc/55/57/13/947555713.db2.gz ZCRFAVVYVBFTBD-CYBMUJFWSA-N 1 2 278.308 1.557 20 5 CDBDLO CC[N@@H+](CC(=O)OC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612805 947555721 /nfs/dbraw/zinc/55/57/21/947555721.db2.gz ZCRFAVVYVBFTBD-CYBMUJFWSA-N 1 2 278.308 1.557 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001349649886 966420581 /nfs/dbraw/zinc/42/05/81/966420581.db2.gz UVUMBJBAXWICCX-UHFFFAOYSA-N 1 2 292.270 1.440 20 5 CDBDLO C[N@H+](CCC(N)=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353177784 365525307 /nfs/dbraw/zinc/52/53/07/365525307.db2.gz WOZHLFAJISAKHO-UHFFFAOYSA-N 1 2 271.704 1.555 20 5 CDBDLO C[N@@H+](CCC(N)=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353177784 365525311 /nfs/dbraw/zinc/52/53/11/365525311.db2.gz WOZHLFAJISAKHO-UHFFFAOYSA-N 1 2 271.704 1.555 20 5 CDBDLO C[N@@H+](Cc1ccon1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673604 190533144 /nfs/dbraw/zinc/53/31/44/190533144.db2.gz VTBOLXJPACBDGP-ZDUSSCGKSA-N 1 2 277.280 1.748 20 5 CDBDLO C[N@H+](Cc1ccon1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673604 190533145 /nfs/dbraw/zinc/53/31/45/190533145.db2.gz VTBOLXJPACBDGP-ZDUSSCGKSA-N 1 2 277.280 1.748 20 5 CDBDLO O=C(Nc1nc[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343479892 539051487 /nfs/dbraw/zinc/05/14/87/539051487.db2.gz AYDVTWLUADIHRC-UHFFFAOYSA-N 1 2 299.250 1.151 20 5 CDBDLO CCNC(=O)C[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289713 343024359 /nfs/dbraw/zinc/02/43/59/343024359.db2.gz VVCVHSLQRKKWEG-UHFFFAOYSA-N 1 2 283.303 1.692 20 5 CDBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289713 343024361 /nfs/dbraw/zinc/02/43/61/343024361.db2.gz VVCVHSLQRKKWEG-UHFFFAOYSA-N 1 2 283.303 1.692 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596434022 343320454 /nfs/dbraw/zinc/32/04/54/343320454.db2.gz 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527329354 /nfs/dbraw/zinc/32/93/54/527329354.db2.gz CKOWXVMUJLHEFY-SECBINFHSA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000061710208 527329362 /nfs/dbraw/zinc/32/93/62/527329362.db2.gz CKOWXVMUJLHEFY-SECBINFHSA-N 1 2 256.689 1.815 20 5 CDBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771145889 575552682 /nfs/dbraw/zinc/55/26/82/575552682.db2.gz KYKLZWYXFXYREG-FQEVSTJZSA-N 1 2 297.380 1.095 20 5 CDBDLO C[C@H]1C[NH+](Cn2nccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000743377059 576637244 /nfs/dbraw/zinc/63/72/44/576637244.db2.gz MUNYDHGIVHECSF-IUCAKERBSA-N 1 2 256.331 1.575 20 5 CDBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000743378254 576637655 /nfs/dbraw/zinc/63/76/55/576637655.db2.gz UXDHABFGETZCBV-DTORHVGOSA-N 1 2 256.331 1.575 20 5 CDBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000743378254 576637658 /nfs/dbraw/zinc/63/76/58/576637658.db2.gz UXDHABFGETZCBV-DTORHVGOSA-N 1 2 256.331 1.575 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749949287 576969603 /nfs/dbraw/zinc/96/96/03/576969603.db2.gz ODPVAXNOZKYFAW-UHFFFAOYSA-N 1 2 291.311 1.328 20 5 CDBDLO Cc1nn(C[N@H+]2CCCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749949287 576969605 /nfs/dbraw/zinc/96/96/05/576969605.db2.gz ODPVAXNOZKYFAW-UHFFFAOYSA-N 1 2 291.311 1.328 20 5 CDBDLO CCOC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885944133 679862501 /nfs/dbraw/zinc/86/25/01/679862501.db2.gz KPKIEIQXMBQROK-UHFFFAOYSA-N 1 2 293.323 1.765 20 5 CDBDLO O=[N+]([O-])CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000929842541 681816092 /nfs/dbraw/zinc/81/60/92/681816092.db2.gz ATJVVCIITRJEOU-UHFFFAOYSA-N 1 2 267.304 1.220 20 5 CDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C)CC1 ZINC000843749256 682013944 /nfs/dbraw/zinc/01/39/44/682013944.db2.gz GRZRZQCBYRYGBT-UHFFFAOYSA-N 1 2 281.287 1.430 20 5 CDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000777717522 682772664 /nfs/dbraw/zinc/77/26/64/682772664.db2.gz YOOZEUYNZJMCAP-UHFFFAOYSA-N 1 2 298.318 1.437 20 5 CDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000777717522 682772681 /nfs/dbraw/zinc/77/26/81/682772681.db2.gz YOOZEUYNZJMCAP-UHFFFAOYSA-N 1 2 298.318 1.437 20 5 CDBDLO CCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000714475031 682815675 /nfs/dbraw/zinc/81/56/75/682815675.db2.gz CRQNNZSNHDJGHF-UHFFFAOYSA-N 1 2 275.312 1.886 20 5 CDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791640430 683551961 /nfs/dbraw/zinc/55/19/61/683551961.db2.gz WOKSOGVXGAMEIW-UHFFFAOYSA-N 1 2 276.252 1.268 20 5 CDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2=CCCCC2)C1 ZINC001042704907 684068335 /nfs/dbraw/zinc/06/83/35/684068335.db2.gz BBEPLAJSUJBTHI-ZIAGYGMSSA-N 1 2 293.367 1.295 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000929683306 684076399 /nfs/dbraw/zinc/07/63/99/684076399.db2.gz OHZVPINMHMWCHV-MRVPVSSYSA-N 1 2 256.224 1.306 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000929683306 684076396 /nfs/dbraw/zinc/07/63/96/684076396.db2.gz OHZVPINMHMWCHV-MRVPVSSYSA-N 1 2 256.224 1.306 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802014193 684207165 /nfs/dbraw/zinc/20/71/65/684207165.db2.gz JUDDLFGWBRGDSZ-OLZOCXBDSA-N 1 2 284.287 1.035 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802014193 684207171 /nfs/dbraw/zinc/20/71/71/684207171.db2.gz JUDDLFGWBRGDSZ-OLZOCXBDSA-N 1 2 284.287 1.035 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001173230365 912325449 /nfs/dbraw/zinc/32/54/49/912325449.db2.gz XPDFCNYMPDONOP-WDEREUQCSA-N 1 2 277.324 1.346 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001173230365 912325463 /nfs/dbraw/zinc/32/54/63/912325463.db2.gz XPDFCNYMPDONOP-WDEREUQCSA-N 1 2 277.324 1.346 20 5 CDBDLO CC(=O)CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001167628821 897101687 /nfs/dbraw/zinc/10/16/87/897101687.db2.gz BVHFZRQXWMTZLT-UHFFFAOYSA-N 1 2 263.297 1.584 20 5 CDBDLO CC(=O)CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001167628821 897101699 /nfs/dbraw/zinc/10/16/99/897101699.db2.gz BVHFZRQXWMTZLT-UHFFFAOYSA-N 1 2 263.297 1.584 20 5 CDBDLO C[NH+]1CCC(Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)CC1 ZINC001227692991 906427998 /nfs/dbraw/zinc/42/79/98/906427998.db2.gz IFRXBKHPIAJFKT-UHFFFAOYSA-N 1 2 277.284 1.339 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC(F)(F)CC[C@@H]2CO)C1 ZINC001169007431 927612608 /nfs/dbraw/zinc/61/26/08/927612608.db2.gz NRQVWISQGTXINE-OUAUKWLOSA-N 1 2 278.299 1.524 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC(F)(F)CC[C@@H]2CO)C1 ZINC001169007431 927612613 /nfs/dbraw/zinc/61/26/13/927612613.db2.gz NRQVWISQGTXINE-OUAUKWLOSA-N 1 2 278.299 1.524 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3ncsc3C2)C1 ZINC001169042138 927656153 /nfs/dbraw/zinc/65/61/53/927656153.db2.gz DBLAQCPLQYDUKW-IUCAKERBSA-N 1 2 253.327 1.904 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3ncsc3C2)C1 ZINC001169042138 927656160 /nfs/dbraw/zinc/65/61/60/927656160.db2.gz DBLAQCPLQYDUKW-IUCAKERBSA-N 1 2 253.327 1.904 20 5 CDBDLO Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157580711 938514716 /nfs/dbraw/zinc/51/47/16/938514716.db2.gz FDNBVALEKNWABS-LLVKDONJSA-N 1 2 292.339 1.573 20 5 CDBDLO Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157580711 938514718 /nfs/dbraw/zinc/51/47/18/938514718.db2.gz FDNBVALEKNWABS-LLVKDONJSA-N 1 2 292.339 1.573 20 5 CDBDLO C[NH+]1CC(OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223486518 941681437 /nfs/dbraw/zinc/68/14/37/941681437.db2.gz ZTSLZHODTVUROK-UHFFFAOYSA-N 1 2 267.241 1.334 20 5 CDBDLO O=[N+]([O-])c1c(O)cccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225619551 941890047 /nfs/dbraw/zinc/89/00/47/941890047.db2.gz CJYMELCISVQXQX-GFCCVEGCSA-N 1 2 264.281 1.773 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667151 941897554 /nfs/dbraw/zinc/89/75/54/941897554.db2.gz PGKBFOXOJZFHBC-VIFPVBQESA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667151 941897557 /nfs/dbraw/zinc/89/75/57/941897557.db2.gz PGKBFOXOJZFHBC-VIFPVBQESA-N 1 2 270.260 1.443 20 5 CDBDLO CC[NH+]1CC(Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228685011 942356360 /nfs/dbraw/zinc/35/63/60/942356360.db2.gz CQEJMVXLVFJDMP-UHFFFAOYSA-N 1 2 253.258 1.087 20 5 CDBDLO O=C1CCCN1CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318911911 958299987 /nfs/dbraw/zinc/29/99/87/958299987.db2.gz AXCAZJJNWFJXTL-UHFFFAOYSA-N 1 2 289.335 1.923 20 5 CDBDLO O=C1CCCN1CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318911911 958300002 /nfs/dbraw/zinc/30/00/02/958300002.db2.gz AXCAZJJNWFJXTL-UHFFFAOYSA-N 1 2 289.335 1.923 20 5 CDBDLO O=C1[C@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C1CC1 ZINC001319940184 958801358 /nfs/dbraw/zinc/80/13/58/958801358.db2.gz UMSGMVDHZTYAOE-CQSZACIVSA-N 1 2 287.319 1.674 20 5 CDBDLO O=C1[C@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C1CC1 ZINC001319940184 958801365 /nfs/dbraw/zinc/80/13/65/958801365.db2.gz UMSGMVDHZTYAOE-CQSZACIVSA-N 1 2 287.319 1.674 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001522493733 970453448 /nfs/dbraw/zinc/45/34/48/970453448.db2.gz HQOAGEFFACIMIT-UHFFFAOYSA-N 1 2 280.309 1.362 20 5 CDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588070240 342492096 /nfs/dbraw/zinc/49/20/96/342492096.db2.gz UWVVCGUQFRKXPU-VXGBXAGGSA-N 1 2 292.339 1.289 20 5 CDBDLO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590402309 342543912 /nfs/dbraw/zinc/54/39/12/342543912.db2.gz CQJQVRRBKCMQOQ-BXKDBHETSA-N 1 2 293.323 1.465 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131394 342091349 /nfs/dbraw/zinc/09/13/49/342091349.db2.gz OACIXTLUZINOOO-JTQLQIEISA-N 1 2 290.279 1.862 20 5 CDBDLO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592568733 342707513 /nfs/dbraw/zinc/70/75/13/342707513.db2.gz XNTZCXQEWKDAGK-HTQZYQBOSA-N 1 2 267.285 1.156 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000595031091 342996979 /nfs/dbraw/zinc/99/69/79/342996979.db2.gz FBONAUHIOJNLCQ-SECBINFHSA-N 1 2 291.311 1.583 20 5 CDBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595353112 343037842 /nfs/dbraw/zinc/03/78/42/343037842.db2.gz MNOLODVPFAVPRW-UHFFFAOYSA-N 1 2 283.303 1.820 20 5 CDBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595353112 343037844 /nfs/dbraw/zinc/03/78/44/343037844.db2.gz MNOLODVPFAVPRW-UHFFFAOYSA-N 1 2 283.303 1.820 20 5 CDBDLO Cc1noc(C[NH2+][C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595411798 343051317 /nfs/dbraw/zinc/05/13/17/343051317.db2.gz VAEMFWRBRXZHIF-NSHDSACASA-N 1 2 277.280 1.714 20 5 CDBDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595516104 343073708 /nfs/dbraw/zinc/07/37/08/343073708.db2.gz DZJPHUHJYNUERL-SNVBAGLBSA-N 1 2 267.260 1.184 20 5 CDBDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595516104 343073710 /nfs/dbraw/zinc/07/37/10/343073710.db2.gz DZJPHUHJYNUERL-SNVBAGLBSA-N 1 2 267.260 1.184 20 5 CDBDLO Cc1noc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465927 343071246 /nfs/dbraw/zinc/07/12/46/343071246.db2.gz GKUHSFAIQARFHA-NOZJJQNGSA-N 1 2 297.311 1.271 20 5 CDBDLO Cc1noc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465927 343071249 /nfs/dbraw/zinc/07/12/49/343071249.db2.gz GKUHSFAIQARFHA-NOZJJQNGSA-N 1 2 297.311 1.271 20 5 CDBDLO O=[N+]([O-])c1ncn(Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000080123224 342350328 /nfs/dbraw/zinc/35/03/28/342350328.db2.gz DRJLZIMOJUSOPY-UHFFFAOYSA-N 1 2 284.279 1.479 20 5 CDBDLO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000596168294 343258003 /nfs/dbraw/zinc/25/80/03/343258003.db2.gz UDNNEGKLSUULCV-LLVKDONJSA-N 1 2 297.380 1.876 20 5 CDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000596430366 343319285 /nfs/dbraw/zinc/31/92/85/343319285.db2.gz MDBUOYUZMPYIHI-MNOVXSKESA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000596430366 343319286 /nfs/dbraw/zinc/31/92/86/343319286.db2.gz MDBUOYUZMPYIHI-MNOVXSKESA-N 1 2 280.328 1.511 20 5 CDBDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000599659868 344106900 /nfs/dbraw/zinc/10/69/00/344106900.db2.gz JWLVFGYMSBIGQV-UHFFFAOYSA-N 1 2 298.343 1.501 20 5 CDBDLO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000085824725 344161559 /nfs/dbraw/zinc/16/15/59/344161559.db2.gz VSQQATOKSSOURR-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000085824725 344161562 /nfs/dbraw/zinc/16/15/62/344161562.db2.gz VSQQATOKSSOURR-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO Cc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609620003 345978913 /nfs/dbraw/zinc/97/89/13/345978913.db2.gz WCNBESSAHSEPQV-UHFFFAOYSA-N 1 2 286.291 1.797 20 5 CDBDLO CC(C)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041105838 346072752 /nfs/dbraw/zinc/07/27/52/346072752.db2.gz UHBSGWKWNGOLAX-UHFFFAOYSA-N 1 2 291.351 1.895 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000037148615 346346335 /nfs/dbraw/zinc/34/63/35/346346335.db2.gz VZPCSNINEQSEJM-SNVBAGLBSA-N 1 2 287.323 1.983 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000053215666 346382793 /nfs/dbraw/zinc/38/27/93/346382793.db2.gz LBROIBSRWYLACB-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000057838225 347101623 /nfs/dbraw/zinc/10/16/23/347101623.db2.gz AQXGKMPYNODISY-LLVKDONJSA-N 1 2 279.344 1.038 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611411002 346779188 /nfs/dbraw/zinc/77/91/88/346779188.db2.gz HLGCVQSYMKBHNO-NSHDSACASA-N 1 2 297.380 1.957 20 5 CDBDLO CCNC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000015307229 348523206 /nfs/dbraw/zinc/52/32/06/348523206.db2.gz OIHBDJWYXGGMDU-UHFFFAOYSA-N 1 2 265.313 1.553 20 5 CDBDLO CCNC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000015307229 348523210 /nfs/dbraw/zinc/52/32/10/348523210.db2.gz OIHBDJWYXGGMDU-UHFFFAOYSA-N 1 2 265.313 1.553 20 5 CDBDLO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000134972040 356873500 /nfs/dbraw/zinc/87/35/00/356873500.db2.gz KJSZQMKHJIFYTQ-LBPRGKRZSA-N 1 2 266.297 1.679 20 5 CDBDLO O=[N+]([O-])c1c(F)cccc1N1CCn2c[nH+]cc2C1 ZINC000290680915 357268674 /nfs/dbraw/zinc/26/86/74/357268674.db2.gz LLHTXUVLOXBENA-UHFFFAOYSA-N 1 2 262.244 1.951 20 5 CDBDLO O=C1OCC[C@]12CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000186687026 357675672 /nfs/dbraw/zinc/67/56/72/357675672.db2.gz OEDNPVKYQUAZAS-CQSZACIVSA-N 1 2 276.292 1.876 20 5 CDBDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000186687026 357675675 /nfs/dbraw/zinc/67/56/75/357675675.db2.gz OEDNPVKYQUAZAS-CQSZACIVSA-N 1 2 276.292 1.876 20 5 CDBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000566697983 358352094 /nfs/dbraw/zinc/35/20/94/358352094.db2.gz BOGHIRQIRAIVSM-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000566697983 358352097 /nfs/dbraw/zinc/35/20/97/358352097.db2.gz BOGHIRQIRAIVSM-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(F)F)CC1 ZINC000361694285 358437532 /nfs/dbraw/zinc/43/75/32/358437532.db2.gz XMVSTYMNKRNHJQ-UHFFFAOYSA-N 1 2 274.271 1.805 20 5 CDBDLO C[N@@H+]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000395495978 358670374 /nfs/dbraw/zinc/67/03/74/358670374.db2.gz PHNAUQIFXXBXJF-QMMMGPOBSA-N 1 2 265.269 1.191 20 5 CDBDLO C[N@H+]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000395495978 358670376 /nfs/dbraw/zinc/67/03/76/358670376.db2.gz PHNAUQIFXXBXJF-QMMMGPOBSA-N 1 2 265.269 1.191 20 5 CDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000103468333 358924296 /nfs/dbraw/zinc/92/42/96/358924296.db2.gz CQAXCTRFUWTPAQ-SNVBAGLBSA-N 1 2 295.364 1.971 20 5 CDBDLO C[N@@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000435229933 359043075 /nfs/dbraw/zinc/04/30/75/359043075.db2.gz 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360273581 /nfs/dbraw/zinc/27/35/81/360273581.db2.gz FJNASPVMTFFZJV-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO COc1cccc(NCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000548116667 360273585 /nfs/dbraw/zinc/27/35/85/360273585.db2.gz FJNASPVMTFFZJV-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069785 361226849 /nfs/dbraw/zinc/22/68/49/361226849.db2.gz TVKWYNLTYQHPDI-UHFFFAOYSA-N 1 2 294.698 1.912 20 5 CDBDLO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182125794 189314339 /nfs/dbraw/zinc/31/43/39/189314339.db2.gz HGFMYAJRBWIHNK-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182125794 189314340 /nfs/dbraw/zinc/31/43/40/189314340.db2.gz HGFMYAJRBWIHNK-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO CC(C)(C)c1nc(NCCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000301699140 201146967 /nfs/dbraw/zinc/14/69/67/201146967.db2.gz CPTABZWFWGUQHA-UHFFFAOYSA-N 1 2 290.327 1.991 20 5 CDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2[nH+]ccn21 ZINC000456389745 364300543 /nfs/dbraw/zinc/30/05/43/364300543.db2.gz PZCPYUZTMXBWLY-CBAPKCEASA-N 1 2 275.268 1.555 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160401812 364994544 /nfs/dbraw/zinc/99/45/44/364994544.db2.gz OVZHVQBBSZDNOG-GFCCVEGCSA-N 1 2 292.339 1.291 20 5 CDBDLO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000054860590 373506776 /nfs/dbraw/zinc/50/67/76/373506776.db2.gz SLEDTRSSACPHHH-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000269695797 373868942 /nfs/dbraw/zinc/86/89/42/373868942.db2.gz WPJSUIDADXMGFT-GYSYKLTISA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000269695797 373868948 /nfs/dbraw/zinc/86/89/48/373868948.db2.gz WPJSUIDADXMGFT-GYSYKLTISA-N 1 2 280.324 1.737 20 5 CDBDLO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000423721243 246001422 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Cc1cccc2[nH+]c(Cn3nccc3[N+](=O)[O-])cn21 ZINC000118175912 374632588 /nfs/dbraw/zinc/63/25/88/374632588.db2.gz NYVCEMXUBCUVCQ-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812398 375023525 /nfs/dbraw/zinc/02/35/25/375023525.db2.gz TZPAATWVHGLDTG-BXKDBHETSA-N 1 2 282.296 1.122 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812398 375023530 /nfs/dbraw/zinc/02/35/30/375023530.db2.gz TZPAATWVHGLDTG-BXKDBHETSA-N 1 2 282.296 1.122 20 5 CDBDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284081018 375129997 /nfs/dbraw/zinc/12/99/97/375129997.db2.gz LTIWMCJDQHRZBX-VIFPVBQESA-N 1 2 290.327 1.639 20 5 CDBDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000162479806 375365395 /nfs/dbraw/zinc/36/53/95/375365395.db2.gz DIUYRIRPMFBJDO-UHFFFAOYSA-N 1 2 265.313 1.423 20 5 CDBDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000162479806 375365401 /nfs/dbraw/zinc/36/54/01/375365401.db2.gz DIUYRIRPMFBJDO-UHFFFAOYSA-N 1 2 265.313 1.423 20 5 CDBDLO Cc1nc(N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000133146259 375701201 /nfs/dbraw/zinc/70/12/01/375701201.db2.gz LJASTRJRBKJEST-SNVBAGLBSA-N 1 2 280.328 1.431 20 5 CDBDLO COC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000347613128 376583765 /nfs/dbraw/zinc/58/37/65/376583765.db2.gz AJCRWMYRAUIJPM-VIFPVBQESA-N 1 2 280.284 1.399 20 5 CDBDLO Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000492192103 253173347 /nfs/dbraw/zinc/17/33/47/253173347.db2.gz DIPHDZMLUGWPFG-UHFFFAOYSA-N 1 2 275.312 1.748 20 5 CDBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cn2)[nH+]c1 ZINC000413348206 391204605 /nfs/dbraw/zinc/20/46/05/391204605.db2.gz CFJOVWZOLRVEPO-UHFFFAOYSA-N 1 2 259.269 1.165 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046889486 391678666 /nfs/dbraw/zinc/67/86/66/391678666.db2.gz ZQZKWRBHVACLEJ-LLVKDONJSA-N 1 2 293.323 1.045 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000355248945 391896538 /nfs/dbraw/zinc/89/65/38/391896538.db2.gz ADTUJVHPDIHSGL-UHFFFAOYSA-N 1 2 294.698 1.912 20 5 CDBDLO O=C1NC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000496656942 391925569 /nfs/dbraw/zinc/92/55/69/391925569.db2.gz BKLQJVXAYCAHQW-GFCCVEGCSA-N 1 2 277.280 1.061 20 5 CDBDLO O=C1NC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000496656942 391925571 /nfs/dbraw/zinc/92/55/71/391925571.db2.gz BKLQJVXAYCAHQW-GFCCVEGCSA-N 1 2 277.280 1.061 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195047970 393050076 /nfs/dbraw/zinc/05/00/76/393050076.db2.gz YJJDMIVNQQRGIS-SNVBAGLBSA-N 1 2 280.328 1.389 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195047970 393050079 /nfs/dbraw/zinc/05/00/79/393050079.db2.gz YJJDMIVNQQRGIS-SNVBAGLBSA-N 1 2 280.328 1.389 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191529212 393120071 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CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000317445101 260228553 /nfs/dbraw/zinc/22/85/53/260228553.db2.gz MZFZDJWLWCORFV-CABZTGNLSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000317445101 260228554 /nfs/dbraw/zinc/22/85/54/260228554.db2.gz MZFZDJWLWCORFV-CABZTGNLSA-N 1 2 286.715 1.033 20 5 CDBDLO CCOc1ccc(NC(=O)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000010809354 262057933 /nfs/dbraw/zinc/05/79/33/262057933.db2.gz CFJZUSOREQTREG-UHFFFAOYSA-N 1 2 290.279 1.829 20 5 CDBDLO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236232684 280128063 /nfs/dbraw/zinc/12/80/63/280128063.db2.gz VAIHAUJOPVECPT-PSASIEDQSA-N 1 2 279.296 1.614 20 5 CDBDLO COc1cc(Cc2noc(C[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000350647123 316190288 /nfs/dbraw/zinc/19/02/88/316190288.db2.gz XQUVHMUGXNGGOA-UHFFFAOYSA-N 1 2 292.295 1.639 20 5 CDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOCC1 ZINC000363435918 524272181 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C[N@@H+](CCC(N)=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000353177828 375583970 /nfs/dbraw/zinc/58/39/70/375583970.db2.gz WXJCVZCHGKZHCG-UHFFFAOYSA-N 1 2 255.249 1.041 20 5 CDBDLO O=C1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000133492252 375789353 /nfs/dbraw/zinc/78/93/53/375789353.db2.gz LQJRCPYTIYBDCB-OCCSQVGLSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000133492252 375789357 /nfs/dbraw/zinc/78/93/57/375789357.db2.gz LQJRCPYTIYBDCB-OCCSQVGLSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000358117563 375952658 /nfs/dbraw/zinc/95/26/58/375952658.db2.gz GKBFENDUVXFLFB-UHFFFAOYSA-N 1 2 285.263 1.729 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262059337 190047851 /nfs/dbraw/zinc/04/78/51/190047851.db2.gz IIUSZTKBAONUKE-MNOVXSKESA-N 1 2 291.307 1.267 20 5 CDBDLO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000262236505 190051294 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O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000173936750 379345643 /nfs/dbraw/zinc/34/56/43/379345643.db2.gz QFVMLBAIHOJOOM-LBPRGKRZSA-N 1 2 297.380 1.563 20 5 CDBDLO C[N@H+](CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000266982149 190295130 /nfs/dbraw/zinc/29/51/30/190295130.db2.gz ATBAYDFWLOWMPM-UHFFFAOYSA-N 1 2 297.330 1.498 20 5 CDBDLO C[N@@H+](CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000266982149 190295131 /nfs/dbraw/zinc/29/51/31/190295131.db2.gz ATBAYDFWLOWMPM-UHFFFAOYSA-N 1 2 297.330 1.498 20 5 CDBDLO CN(CC[NH+]1CCOCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000266982149 190295132 /nfs/dbraw/zinc/29/51/32/190295132.db2.gz ATBAYDFWLOWMPM-UHFFFAOYSA-N 1 2 297.330 1.498 20 5 CDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449645455 250948805 /nfs/dbraw/zinc/94/88/05/250948805.db2.gz KAWPSTMLCMMBKG-JTQLQIEISA-N 1 2 299.277 1.569 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492778539 253293540 /nfs/dbraw/zinc/29/35/40/253293540.db2.gz 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CC1(C)COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579919 693459514 /nfs/dbraw/zinc/45/95/14/693459514.db2.gz PMXMFUZZKYZAIB-CYBMUJFWSA-N 1 2 280.324 1.739 20 5 CDBDLO CC1(C)COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579919 693459520 /nfs/dbraw/zinc/45/95/20/693459520.db2.gz PMXMFUZZKYZAIB-CYBMUJFWSA-N 1 2 280.324 1.739 20 5 CDBDLO CCOC(=O)CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000779858768 694630182 /nfs/dbraw/zinc/63/01/82/694630182.db2.gz MJDJYMNVGSEORE-UHFFFAOYSA-N 1 2 296.327 1.475 20 5 CDBDLO CCOC(=O)CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000779858768 694630188 /nfs/dbraw/zinc/63/01/88/694630188.db2.gz MJDJYMNVGSEORE-UHFFFAOYSA-N 1 2 296.327 1.475 20 5 CDBDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000887401346 694708553 /nfs/dbraw/zinc/70/85/53/694708553.db2.gz UFYKMHMDMWTIRO-NSHDSACASA-N 1 2 288.307 1.711 20 5 CDBDLO COC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885944208 694843746 /nfs/dbraw/zinc/84/37/46/694843746.db2.gz 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/nfs/dbraw/zinc/67/60/07/723676007.db2.gz WYWGAIYFLZFNJR-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776279629 723676008 /nfs/dbraw/zinc/67/60/08/723676008.db2.gz WYWGAIYFLZFNJR-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001123922112 936246831 /nfs/dbraw/zinc/24/68/31/936246831.db2.gz UWQFOXXBSZRPGE-UHFFFAOYSA-N 1 2 292.270 1.440 20 5 CDBDLO O=[N+]([O-])c1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001157580684 938514829 /nfs/dbraw/zinc/51/48/29/938514829.db2.gz CYNWUQSNSPPQGN-SNVBAGLBSA-N 1 2 278.312 1.265 20 5 CDBDLO O=[N+]([O-])c1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001157580684 938514830 /nfs/dbraw/zinc/51/48/30/938514830.db2.gz CYNWUQSNSPPQGN-SNVBAGLBSA-N 1 2 278.312 1.265 20 5 CDBDLO CC(C)[NH+]1CC(Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401160738 940864847 /nfs/dbraw/zinc/86/48/47/940864847.db2.gz LEHGPNKIKFGWRM-UHFFFAOYSA-N 1 2 254.265 1.633 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001226841166 942081967 /nfs/dbraw/zinc/08/19/67/942081967.db2.gz APPRMJONAYODRA-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001226841166 942081973 /nfs/dbraw/zinc/08/19/73/942081973.db2.gz APPRMJONAYODRA-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO CC(=O)N1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254552387 947522963 /nfs/dbraw/zinc/52/29/63/947522963.db2.gz LDFFGXOADSOTLU-GFCCVEGCSA-N 1 2 291.351 1.690 20 5 CDBDLO Cc1noc(C[NH2+][C@@H](C)c2cnn(C)c2C)c1[N+](=O)[O-] ZINC001328394103 955284060 /nfs/dbraw/zinc/28/40/60/955284060.db2.gz MFXRPYLJUWLUCS-ZETCQYMHSA-N 1 2 279.300 1.784 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001322159822 960114645 /nfs/dbraw/zinc/11/46/45/960114645.db2.gz UHYTZYMEXORZID-AWEZNQCLSA-N 1 2 288.307 1.168 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001322159822 960114650 /nfs/dbraw/zinc/11/46/50/960114650.db2.gz UHYTZYMEXORZID-AWEZNQCLSA-N 1 2 288.307 1.168 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001350868869 966783619 /nfs/dbraw/zinc/78/36/19/966783619.db2.gz PGTRVRVKGACTHP-UHFFFAOYSA-N 1 2 288.307 1.230 20 5 CDBDLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000121244052 342088162 /nfs/dbraw/zinc/08/81/62/342088162.db2.gz BFBUSBACPCWLQX-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO COc1ccc(C[NH2+]Cc2ncc(C)n2C)cc1[N+](=O)[O-] ZINC000341000739 365635524 /nfs/dbraw/zinc/63/55/24/365635524.db2.gz AUFYWDBFMHGKCL-UHFFFAOYSA-N 1 2 290.323 1.935 20 5 CDBDLO COc1ccc(CNCc2[nH+]cc(C)n2C)cc1[N+](=O)[O-] ZINC000341000739 365635530 /nfs/dbraw/zinc/63/55/30/365635530.db2.gz AUFYWDBFMHGKCL-UHFFFAOYSA-N 1 2 290.323 1.935 20 5 CDBDLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595546895 343084260 /nfs/dbraw/zinc/08/42/60/343084260.db2.gz KNOLBAAHLAIMLU-UHFFFAOYSA-N 1 2 264.241 1.315 20 5 CDBDLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595546895 343084261 /nfs/dbraw/zinc/08/42/61/343084261.db2.gz KNOLBAAHLAIMLU-UHFFFAOYSA-N 1 2 264.241 1.315 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078660059 342339267 /nfs/dbraw/zinc/33/92/67/342339267.db2.gz XQSWOKDTWBPVDP-RYUDHWBXSA-N 1 2 294.355 1.819 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000047262663 345744620 /nfs/dbraw/zinc/74/46/20/345744620.db2.gz XZXXXIQYZJPIDP-UHFFFAOYSA-N 1 2 251.286 1.163 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000047262663 345744622 /nfs/dbraw/zinc/74/46/22/345744622.db2.gz XZXXXIQYZJPIDP-UHFFFAOYSA-N 1 2 251.286 1.163 20 5 CDBDLO CC(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103471826 346357586 /nfs/dbraw/zinc/35/75/86/346357586.db2.gz VJBWMENCWVRUFQ-UHFFFAOYSA-N 1 2 295.314 1.834 20 5 CDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000611261608 346725038 /nfs/dbraw/zinc/72/50/38/346725038.db2.gz XZWRQNBTINTYTF-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO CCc1nn(C)c(N2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000611281018 346734768 /nfs/dbraw/zinc/73/47/68/346734768.db2.gz JJVFPSOUWFDTTO-UHFFFAOYSA-N 1 2 276.300 1.107 20 5 CDBDLO CCc1nn(C)c(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091560252 180191375 /nfs/dbraw/zinc/19/13/75/180191375.db2.gz GZHCZCDLIHXRKA-SECBINFHSA-N 1 2 278.316 1.588 20 5 CDBDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273009004 192016894 /nfs/dbraw/zinc/01/68/94/192016894.db2.gz ISZVWDDFPNIUDJ-NSHDSACASA-N 1 2 298.364 1.710 20 5 CDBDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273009004 192016897 /nfs/dbraw/zinc/01/68/97/192016897.db2.gz ISZVWDDFPNIUDJ-NSHDSACASA-N 1 2 298.364 1.710 20 5 CDBDLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000134626901 356364725 /nfs/dbraw/zinc/36/47/25/356364725.db2.gz SPSBPEZIAHOINN-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134752461 356390905 /nfs/dbraw/zinc/39/09/05/356390905.db2.gz FNZANIMBWKFGMN-UHFFFAOYSA-N 1 2 274.280 1.519 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000070979353 357178331 /nfs/dbraw/zinc/17/83/31/357178331.db2.gz JIVKSHVYAWAKSY-UHFFFAOYSA-N 1 2 290.279 1.355 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000106883951 357284116 /nfs/dbraw/zinc/28/41/16/357284116.db2.gz KCWVBHZCSYXKEG-NSHDSACASA-N 1 2 293.323 1.562 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000106883951 357284120 /nfs/dbraw/zinc/28/41/20/357284120.db2.gz KCWVBHZCSYXKEG-NSHDSACASA-N 1 2 293.323 1.562 20 5 CDBDLO Cc1[nH]c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000360523846 357356330 /nfs/dbraw/zinc/35/63/30/357356330.db2.gz CHQBJOQBCWHXTQ-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000283719061 357595709 /nfs/dbraw/zinc/59/57/09/357595709.db2.gz ZXMXNOCTIMXIHB-UHFFFAOYSA-N 1 2 293.323 1.381 20 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CHLOWFYQDDAZPC-GFCCVEGCSA-N 1 2 266.297 1.096 20 5 CDBDLO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339084865 359285342 /nfs/dbraw/zinc/28/53/42/359285342.db2.gz HXJUBSULHUDGPT-NWDGAFQWSA-N 1 2 293.323 1.434 20 5 CDBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339057920 359283046 /nfs/dbraw/zinc/28/30/46/359283046.db2.gz IKYMJHVXOPZOEG-RNCFNFMXSA-N 1 2 266.297 1.503 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339057920 359283052 /nfs/dbraw/zinc/28/30/52/359283052.db2.gz IKYMJHVXOPZOEG-RNCFNFMXSA-N 1 2 266.297 1.503 20 5 CDBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000340223662 359612115 /nfs/dbraw/zinc/61/21/15/359612115.db2.gz YSNZPRIFPLPPNX-SNVBAGLBSA-N 1 2 283.715 1.569 20 5 CDBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000340223662 359612117 /nfs/dbraw/zinc/61/21/17/359612117.db2.gz YSNZPRIFPLPPNX-SNVBAGLBSA-N 1 2 283.715 1.569 20 5 CDBDLO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1=O ZINC000289569104 359621564 /nfs/dbraw/zinc/62/15/64/359621564.db2.gz OHRDREDKJZIBQK-CYBMUJFWSA-N 1 2 264.281 1.433 20 5 CDBDLO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178856665 189151099 /nfs/dbraw/zinc/15/10/99/189151099.db2.gz XDVOVTPFPHPVHR-KGLIPLIRSA-N 1 2 280.324 1.739 20 5 CDBDLO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178856665 189151100 /nfs/dbraw/zinc/15/11/00/189151100.db2.gz XDVOVTPFPHPVHR-KGLIPLIRSA-N 1 2 280.324 1.739 20 5 CDBDLO Cc1ccnc(N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000301923721 201264792 /nfs/dbraw/zinc/26/47/92/201264792.db2.gz LUBGIVDIIFINSK-UHFFFAOYSA-N 1 2 261.285 1.668 20 5 CDBDLO CCn1ncnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885340 364997727 /nfs/dbraw/zinc/99/77/27/364997727.db2.gz SCMFLNNKBRPGEE-UHFFFAOYSA-N 1 2 275.312 1.804 20 5 CDBDLO C[NH2+]Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000414506555 241237931 /nfs/dbraw/zinc/23/79/31/241237931.db2.gz WZGHMTWCMLWRRL-UHFFFAOYSA-N 1 2 277.284 1.352 20 5 CDBDLO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000272592191 367778934 /nfs/dbraw/zinc/77/89/34/367778934.db2.gz IOGPDMJKXMUPIP-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000272592191 367778940 /nfs/dbraw/zinc/77/89/40/367778940.db2.gz IOGPDMJKXMUPIP-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](C2CC2)C2COC2)c1 ZINC000295375905 370097027 /nfs/dbraw/zinc/09/70/27/370097027.db2.gz KCOQVWSTUKSPAR-AWEZNQCLSA-N 1 2 278.308 1.491 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](C2CC2)C2COC2)c1 ZINC000295375905 370097032 /nfs/dbraw/zinc/09/70/32/370097032.db2.gz KCOQVWSTUKSPAR-AWEZNQCLSA-N 1 2 278.308 1.491 20 5 CDBDLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000272929686 372391772 /nfs/dbraw/zinc/39/17/72/372391772.db2.gz VDSPVEVDXWOWDA-GWCFXTLKSA-N 1 2 293.323 1.103 20 5 CDBDLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000272929686 372391782 /nfs/dbraw/zinc/39/17/82/372391782.db2.gz VDSPVEVDXWOWDA-GWCFXTLKSA-N 1 2 293.323 1.103 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114336038 374305201 /nfs/dbraw/zinc/30/52/01/374305201.db2.gz SLQXYQDOORTQED-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000330459851 374855815 /nfs/dbraw/zinc/85/58/15/374855815.db2.gz UJQVXDRDVYVSNE-QMTHXVAHSA-N 1 2 280.324 1.893 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000330459851 374855824 /nfs/dbraw/zinc/85/58/24/374855824.db2.gz UJQVXDRDVYVSNE-QMTHXVAHSA-N 1 2 280.324 1.893 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCn1cc[nH+]c1 ZINC000426874307 247072412 /nfs/dbraw/zinc/07/24/12/247072412.db2.gz IZQNPVPODJXADE-UHFFFAOYSA-N 1 2 290.279 1.230 20 5 CDBDLO Cc1cc(NCc2ccn3cc[nH+]c3c2)ncc1[N+](=O)[O-] ZINC000354387223 375704444 /nfs/dbraw/zinc/70/44/44/375704444.db2.gz NJQBFYZLCZCNRS-UHFFFAOYSA-N 1 2 283.291 1.980 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000355259509 375786585 /nfs/dbraw/zinc/78/65/85/375786585.db2.gz XRRUDMFHNJYYSG-UHFFFAOYSA-N 1 2 266.282 1.320 20 5 CDBDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347357106 375985650 /nfs/dbraw/zinc/98/56/50/375985650.db2.gz RJTZRNWPMPTWLB-CYBMUJFWSA-N 1 2 281.287 1.628 20 5 CDBDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347357106 375985657 /nfs/dbraw/zinc/98/56/57/375985657.db2.gz RJTZRNWPMPTWLB-CYBMUJFWSA-N 1 2 281.287 1.628 20 5 CDBDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)C2CC2)ncc1[N+](=O)[O-] ZINC000450531487 251326233 /nfs/dbraw/zinc/32/62/33/251326233.db2.gz UENYCPXXYLHIEZ-LLVKDONJSA-N 1 2 288.311 1.990 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000492274160 253188693 /nfs/dbraw/zinc/18/86/93/253188693.db2.gz LNZWQBWLZRVIFC-DTWKUNHWSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000492274160 253188695 /nfs/dbraw/zinc/18/86/95/253188695.db2.gz LNZWQBWLZRVIFC-DTWKUNHWSA-N 1 2 286.715 1.176 20 5 CDBDLO CC[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000075105625 391518184 /nfs/dbraw/zinc/51/81/84/391518184.db2.gz UCHSMASRJLVTIX-GFCCVEGCSA-N 1 2 269.276 1.478 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335170 392061042 /nfs/dbraw/zinc/06/10/42/392061042.db2.gz FQIAFQDUOXNJOZ-RISCZKNCSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335170 392061043 /nfs/dbraw/zinc/06/10/43/392061043.db2.gz FQIAFQDUOXNJOZ-RISCZKNCSA-N 1 2 296.323 1.055 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)C(C)C ZINC000430198739 393091365 /nfs/dbraw/zinc/09/13/65/393091365.db2.gz ZTSKUIMDVJSSJO-UHFFFAOYSA-N 1 2 281.312 1.299 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(N)=O)C(C)C ZINC000430198739 393091371 /nfs/dbraw/zinc/09/13/71/393091371.db2.gz ZTSKUIMDVJSSJO-UHFFFAOYSA-N 1 2 281.312 1.299 20 5 CDBDLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092484 286229126 /nfs/dbraw/zinc/22/91/26/286229126.db2.gz UJRFRDOAVAEEGV-TZMCWYRMSA-N 1 2 296.323 1.584 20 5 CDBDLO COc1c(C(=O)NCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000355678399 157180766 /nfs/dbraw/zinc/18/07/66/157180766.db2.gz XYGBLNOIELXJSO-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO Cn1cc([C@@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000358793028 158029244 /nfs/dbraw/zinc/02/92/44/158029244.db2.gz UBEMALHSRQPZEU-GFCCVEGCSA-N 1 2 294.286 1.291 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cc[nH+]c1 ZINC000156022821 525568106 /nfs/dbraw/zinc/56/81/06/525568106.db2.gz CEQYHPWAFMVSEA-UHFFFAOYSA-N 1 2 289.295 1.921 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338593675 527401563 /nfs/dbraw/zinc/40/15/63/527401563.db2.gz TZKDSSAKKIBXGE-GFCCVEGCSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593675 527401572 /nfs/dbraw/zinc/40/15/72/527401572.db2.gz TZKDSSAKKIBXGE-GFCCVEGCSA-N 1 2 254.261 1.501 20 5 CDBDLO Cc1nn(C[NH+]2CCSCC2)c2ncc([N+](=O)[O-])cc12 ZINC000748450738 576912890 /nfs/dbraw/zinc/91/28/90/576912890.db2.gz VVNQCENEUNPVFK-UHFFFAOYSA-N 1 2 293.352 1.654 20 5 CDBDLO Cc1ccnc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895245590 619486847 /nfs/dbraw/zinc/48/68/47/619486847.db2.gz GOCYUCJXUPAEIB-NEPJUHHUSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccnc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895245590 619486849 /nfs/dbraw/zinc/48/68/49/619486849.db2.gz GOCYUCJXUPAEIB-NEPJUHHUSA-N 1 2 293.371 1.344 20 5 CDBDLO COCC1C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000895970804 619928353 /nfs/dbraw/zinc/92/83/53/619928353.db2.gz IUVJDUKYCGEZLI-UHFFFAOYSA-N 1 2 296.323 1.690 20 5 CDBDLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000914795366 631573802 /nfs/dbraw/zinc/57/38/02/631573802.db2.gz OJIYLZLXXXKZEY-PELKAZGASA-N 1 2 292.295 1.670 20 5 CDBDLO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000802141481 695696930 /nfs/dbraw/zinc/69/69/30/695696930.db2.gz RDZZPOADXXGNBB-JTQLQIEISA-N 1 2 297.311 1.189 20 5 CDBDLO CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000802141481 695696935 /nfs/dbraw/zinc/69/69/35/695696935.db2.gz RDZZPOADXXGNBB-JTQLQIEISA-N 1 2 297.311 1.189 20 5 CDBDLO COCCCOCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886105363 695790762 /nfs/dbraw/zinc/79/07/62/695790762.db2.gz YJGBTOUSPKQBAL-UHFFFAOYSA-N 1 2 283.328 1.475 20 5 CDBDLO COCCCOCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886105363 695790766 /nfs/dbraw/zinc/79/07/66/695790766.db2.gz YJGBTOUSPKQBAL-UHFFFAOYSA-N 1 2 283.328 1.475 20 5 CDBDLO CO[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000076266364 695800760 /nfs/dbraw/zinc/80/07/60/695800760.db2.gz XRSWWYLZFCOWDL-NSHDSACASA-N 1 2 268.317 1.476 20 5 CDBDLO CO[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000076266364 695800761 /nfs/dbraw/zinc/80/07/61/695800761.db2.gz XRSWWYLZFCOWDL-NSHDSACASA-N 1 2 268.317 1.476 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782620109 695879385 /nfs/dbraw/zinc/87/93/85/695879385.db2.gz KSXMDERMHYNGSX-TVQRCGJNSA-N 1 2 266.272 1.548 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782620109 695879386 /nfs/dbraw/zinc/87/93/86/695879386.db2.gz KSXMDERMHYNGSX-TVQRCGJNSA-N 1 2 266.272 1.548 20 5 CDBDLO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545958 695899228 /nfs/dbraw/zinc/89/92/28/695899228.db2.gz NQGVRXXMPXDDQG-ZWNOBZJWSA-N 1 2 282.344 1.884 20 5 CDBDLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545958 695899230 /nfs/dbraw/zinc/89/92/30/695899230.db2.gz NQGVRXXMPXDDQG-ZWNOBZJWSA-N 1 2 282.344 1.884 20 5 CDBDLO COc1cc(C)nc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155195893 1167104669 /nfs/dbraw/zinc/10/46/69/1167104669.db2.gz GFZYTVLJUAZCQO-SNVBAGLBSA-N 1 2 296.327 1.049 20 5 CDBDLO COc1cc(C)nc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155195893 1167104671 /nfs/dbraw/zinc/10/46/71/1167104671.db2.gz GFZYTVLJUAZCQO-SNVBAGLBSA-N 1 2 296.327 1.049 20 5 CDBDLO CO[C@H]1C[NH2+][C@@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001574000040 1170855550 /nfs/dbraw/zinc/85/55/50/1170855550.db2.gz AOVSSQYUJTUBAD-CKYFFXLPSA-N 1 2 294.307 1.576 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1Cn1cc[nH+]c1 ZINC001593480468 1174084769 /nfs/dbraw/zinc/08/47/69/1174084769.db2.gz AGCSRRLRCFKKBL-UHFFFAOYSA-N 1 2 271.240 1.020 20 5 CDBDLO CC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886229129 725356023 /nfs/dbraw/zinc/35/60/23/725356023.db2.gz LNSZDICTTSCFNT-UHFFFAOYSA-N 1 2 263.297 1.791 20 5 CDBDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])CC2 ZINC000931621653 723767832 /nfs/dbraw/zinc/76/78/32/723767832.db2.gz VPEIHICVXXORPF-UHFFFAOYSA-N 1 2 263.297 1.280 20 5 CDBDLO CC(=O)Nc1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])CC2 ZINC000931621653 723767833 /nfs/dbraw/zinc/76/78/33/723767833.db2.gz VPEIHICVXXORPF-UHFFFAOYSA-N 1 2 263.297 1.280 20 5 CDBDLO Cc1[nH]ncc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736384 723929349 /nfs/dbraw/zinc/92/93/49/723929349.db2.gz RVHZMGIZCICWAD-UHFFFAOYSA-N 1 2 275.312 1.592 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000840142316 725452976 /nfs/dbraw/zinc/45/29/76/725452976.db2.gz FUROCYLIJHISSW-LBPRGKRZSA-N 1 2 282.369 1.968 20 5 CDBDLO Cc1nn(C[NH+]2CCC(C)(F)CC2)cc1[N+](=O)[O-] ZINC000872691651 725553480 /nfs/dbraw/zinc/55/34/80/725553480.db2.gz OMNBKZYCSDAHKN-UHFFFAOYSA-N 1 2 256.281 1.881 20 5 CDBDLO COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000868817784 725236642 /nfs/dbraw/zinc/23/66/42/725236642.db2.gz MURXEROEZZIBJC-ZYHUDNBSSA-N 1 2 293.323 1.361 20 5 CDBDLO CSC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000872627723 725320271 /nfs/dbraw/zinc/32/02/71/725320271.db2.gz JFFJYAIKHMBZJT-UHFFFAOYSA-N 1 2 256.331 1.576 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(C)c1[N+](=O)[O-] ZINC000812294355 725438144 /nfs/dbraw/zinc/43/81/44/725438144.db2.gz KVOQXPYIOVUELN-GFCCVEGCSA-N 1 2 290.327 1.509 20 5 CDBDLO Cc1nn(C[N@H+]2CC[C@@H](n3cccn3)C2)c(C)c1[N+](=O)[O-] ZINC000812294355 725438146 /nfs/dbraw/zinc/43/81/46/725438146.db2.gz KVOQXPYIOVUELN-GFCCVEGCSA-N 1 2 290.327 1.509 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000840142316 725452974 /nfs/dbraw/zinc/45/29/74/725452974.db2.gz FUROCYLIJHISSW-LBPRGKRZSA-N 1 2 282.369 1.968 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000886039600 725532823 /nfs/dbraw/zinc/53/28/23/725532823.db2.gz MRZQENZFWZBYRM-NSHDSACASA-N 1 2 283.353 1.290 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000886039600 725532829 /nfs/dbraw/zinc/53/28/29/725532829.db2.gz MRZQENZFWZBYRM-NSHDSACASA-N 1 2 283.353 1.290 20 5 CDBDLO CC(C)C1(O)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089667540 725545223 /nfs/dbraw/zinc/54/52/23/725545223.db2.gz XLEQFJFBQPMADL-UHFFFAOYSA-N 1 2 250.298 1.798 20 5 CDBDLO O=[N+]([O-])c1cccnc1NCC1([NH+]2CCCC2)COC1 ZINC001168443865 913249260 /nfs/dbraw/zinc/24/92/60/913249260.db2.gz AQTRWTOGBIPSBC-UHFFFAOYSA-N 1 2 278.312 1.267 20 5 CDBDLO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000699456205 913827217 /nfs/dbraw/zinc/82/72/17/913827217.db2.gz AZZKNRMGLICJAL-JTQLQIEISA-N 1 2 285.731 1.361 20 5 CDBDLO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000699456205 913827229 /nfs/dbraw/zinc/82/72/29/913827229.db2.gz AZZKNRMGLICJAL-JTQLQIEISA-N 1 2 285.731 1.361 20 5 CDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011817 927616368 /nfs/dbraw/zinc/61/63/68/927616368.db2.gz MLKSAGZLBYDPSR-VHSXEESVSA-N 1 2 254.290 1.255 20 5 CDBDLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011817 927616373 /nfs/dbraw/zinc/61/63/73/927616373.db2.gz MLKSAGZLBYDPSR-VHSXEESVSA-N 1 2 254.290 1.255 20 5 CDBDLO CCN(c1ncc(F)cc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455262 938494371 /nfs/dbraw/zinc/49/43/71/938494371.db2.gz GHVBLUYZAGITLT-UHFFFAOYSA-N 1 2 254.265 1.269 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001162690701 939120974 /nfs/dbraw/zinc/12/09/74/939120974.db2.gz ZYKYZMSRSGKUQH-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001162690701 939120977 /nfs/dbraw/zinc/12/09/77/939120977.db2.gz ZYKYZMSRSGKUQH-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1OC1C[NH+](C(C)C)C1 ZINC001226762517 942064937 /nfs/dbraw/zinc/06/49/37/942064937.db2.gz XFQMHRRUMJEHRG-UHFFFAOYSA-N 1 2 251.286 1.770 20 5 CDBDLO COc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001227701709 942206419 /nfs/dbraw/zinc/20/64/19/942206419.db2.gz PHHYXGFPHVIRKI-JTQLQIEISA-N 1 2 282.296 1.313 20 5 CDBDLO COc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001227701709 942206424 /nfs/dbraw/zinc/20/64/24/942206424.db2.gz PHHYXGFPHVIRKI-JTQLQIEISA-N 1 2 282.296 1.313 20 5 CDBDLO CC(C)[NH+]1CC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228604594 942340935 /nfs/dbraw/zinc/34/09/35/942340935.db2.gz VLBUFECIUIXBBX-UHFFFAOYSA-N 1 2 294.311 1.439 20 5 CDBDLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001230146870 942587484 /nfs/dbraw/zinc/58/74/84/942587484.db2.gz YSVCAWNKUOXKPR-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001230146870 942587487 /nfs/dbraw/zinc/58/74/87/942587487.db2.gz YSVCAWNKUOXKPR-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233769917 943653625 /nfs/dbraw/zinc/65/36/25/943653625.db2.gz IWXIFCNLKDFRFZ-QMMMGPOBSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233769917 943653628 /nfs/dbraw/zinc/65/36/28/943653628.db2.gz IWXIFCNLKDFRFZ-QMMMGPOBSA-N 1 2 288.250 1.582 20 5 CDBDLO CO[C@H]1C[NH2+][C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2)C1 ZINC001574001365 1170858765 /nfs/dbraw/zinc/85/87/65/1170858765.db2.gz WNPSMXFKOULJGT-VXGBXAGGSA-N 1 2 280.280 1.015 20 5 CDBDLO Cc1c[nH]c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000600156976 341981152 /nfs/dbraw/zinc/98/11/52/341981152.db2.gz WXHSFLXEDFQWBH-UHFFFAOYSA-N 1 2 290.327 1.660 20 5 CDBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000586806718 342470356 /nfs/dbraw/zinc/47/03/56/342470356.db2.gz HCCXYXMRIQSKKH-UHFFFAOYSA-N 1 2 276.256 1.031 20 5 CDBDLO Cc1cc(NC[C@@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074739892 342303560 /nfs/dbraw/zinc/30/35/60/342303560.db2.gz VAPFWGJLNNVWCI-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO CCn1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000404417962 349772742 /nfs/dbraw/zinc/77/27/42/349772742.db2.gz GGXWENROQLCENU-UHFFFAOYSA-N 1 2 291.311 1.505 20 5 CDBDLO CCO[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595322635 343035848 /nfs/dbraw/zinc/03/58/48/343035848.db2.gz TUVRRCNHCLMSGE-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO CCO[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595322635 343035849 /nfs/dbraw/zinc/03/58/49/343035849.db2.gz TUVRRCNHCLMSGE-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595451226 343066475 /nfs/dbraw/zinc/06/64/75/343066475.db2.gz XTNDYCCOZIGLJP-VXNVDRBHSA-N 1 2 255.274 1.094 20 5 CDBDLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595451226 343066477 /nfs/dbraw/zinc/06/64/77/343066477.db2.gz XTNDYCCOZIGLJP-VXNVDRBHSA-N 1 2 255.274 1.094 20 5 CDBDLO Cc1noc(C[N@@H+](C)[C@H](CO)COC(C)C)c1[N+](=O)[O-] ZINC000595460033 343069943 /nfs/dbraw/zinc/06/99/43/343069943.db2.gz SRJXTZQCOKKULS-SNVBAGLBSA-N 1 2 287.316 1.109 20 5 CDBDLO Cc1noc(C[N@H+](C)[C@H](CO)COC(C)C)c1[N+](=O)[O-] ZINC000595460033 343069944 /nfs/dbraw/zinc/06/99/44/343069944.db2.gz SRJXTZQCOKKULS-SNVBAGLBSA-N 1 2 287.316 1.109 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595512355 343082173 /nfs/dbraw/zinc/08/21/73/343082173.db2.gz UCMTYGMUMQSMRU-UHFFFAOYSA-N 1 2 269.276 1.431 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595512355 343082175 /nfs/dbraw/zinc/08/21/75/343082175.db2.gz UCMTYGMUMQSMRU-UHFFFAOYSA-N 1 2 269.276 1.431 20 5 CDBDLO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000595782846 343155332 /nfs/dbraw/zinc/15/53/32/343155332.db2.gz NKERMRMMEYELDK-UHFFFAOYSA-N 1 2 281.287 1.398 20 5 CDBDLO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000595782846 343155333 /nfs/dbraw/zinc/15/53/33/343155333.db2.gz NKERMRMMEYELDK-UHFFFAOYSA-N 1 2 281.287 1.398 20 5 CDBDLO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000596081556 343219958 /nfs/dbraw/zinc/21/99/58/343219958.db2.gz ZQMPPSZSYRFLLY-VIFPVBQESA-N 1 2 277.284 1.640 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596247357 343286540 /nfs/dbraw/zinc/28/65/40/343286540.db2.gz NQRANIROBXQXOV-LLVKDONJSA-N 1 2 297.380 1.957 20 5 CDBDLO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598460172 343804895 /nfs/dbraw/zinc/80/48/95/343804895.db2.gz RJABIWZSZIUIEA-SNVBAGLBSA-N 1 2 288.307 1.748 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccon1 ZINC000602779285 344595009 /nfs/dbraw/zinc/59/50/09/344595009.db2.gz LUYHJVZHZOCGDW-UHFFFAOYSA-N 1 2 265.273 1.220 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccon1 ZINC000602779285 344595014 /nfs/dbraw/zinc/59/50/14/344595014.db2.gz LUYHJVZHZOCGDW-UHFFFAOYSA-N 1 2 265.273 1.220 20 5 CDBDLO CO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896262 344652522 /nfs/dbraw/zinc/65/25/22/344652522.db2.gz JIGLXNXTNWNAEC-ZDUSSCGKSA-N 1 2 282.296 1.278 20 5 CDBDLO CO[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896262 344652524 /nfs/dbraw/zinc/65/25/24/344652524.db2.gz JIGLXNXTNWNAEC-ZDUSSCGKSA-N 1 2 282.296 1.278 20 5 CDBDLO COc1cc([N+](=O)[O-])cn(CCCc2c[nH+]cn2C)c1=O ZINC000603360209 344783569 /nfs/dbraw/zinc/78/35/69/344783569.db2.gz WRCUUFHVFPNHKA-UHFFFAOYSA-N 1 2 292.295 1.131 20 5 CDBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000093457190 345628179 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CCOc1cccc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134902642 356454061 /nfs/dbraw/zinc/45/40/61/356454061.db2.gz FBTBFOGUTWOXMJ-UHFFFAOYSA-N 1 2 295.339 1.738 20 5 CDBDLO Cc1c(CNC(=O)CCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000360515439 357344733 /nfs/dbraw/zinc/34/47/33/357344733.db2.gz OVELMWPAYDTOIS-UHFFFAOYSA-N 1 2 288.307 1.806 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286818754 358012017 /nfs/dbraw/zinc/01/20/17/358012017.db2.gz KFXMLUYONXDSSC-ZIAGYGMSSA-N 1 2 298.314 1.425 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000286818754 358012019 /nfs/dbraw/zinc/01/20/19/358012019.db2.gz KFXMLUYONXDSSC-ZIAGYGMSSA-N 1 2 298.314 1.425 20 5 CDBDLO CC[C@]1(O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099472 359288703 /nfs/dbraw/zinc/28/87/03/359288703.db2.gz BUENXSMHKNVZDS-ZDUSSCGKSA-N 1 2 266.297 1.647 20 5 CDBDLO CC[C@]1(O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099472 359288705 /nfs/dbraw/zinc/28/87/05/359288705.db2.gz BUENXSMHKNVZDS-ZDUSSCGKSA-N 1 2 266.297 1.647 20 5 CDBDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000050064909 359290058 /nfs/dbraw/zinc/29/00/58/359290058.db2.gz PBVWJJUMQKOQHE-LLVKDONJSA-N 1 2 296.327 1.127 20 5 CDBDLO CCOC(=O)[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000050064909 359290063 /nfs/dbraw/zinc/29/00/63/359290063.db2.gz PBVWJJUMQKOQHE-LLVKDONJSA-N 1 2 296.327 1.127 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000339129796 359296746 /nfs/dbraw/zinc/29/67/46/359296746.db2.gz VRNGETHYPNEXLX-ONGXEEELSA-N 1 2 266.297 1.361 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000339129796 359296747 /nfs/dbraw/zinc/29/67/47/359296747.db2.gz VRNGETHYPNEXLX-ONGXEEELSA-N 1 2 266.297 1.361 20 5 CDBDLO Cc1nc(NCC[N@@H+]2CCOCC2(C)C)ncc1[N+](=O)[O-] ZINC000297310465 200143767 /nfs/dbraw/zinc/14/37/67/200143767.db2.gz ZBGUJWXNXMCQPW-UHFFFAOYSA-N 1 2 295.343 1.216 20 5 CDBDLO Cc1nc(NCC[N@H+]2CCOCC2(C)C)ncc1[N+](=O)[O-] ZINC000297310465 200143768 /nfs/dbraw/zinc/14/37/68/200143768.db2.gz ZBGUJWXNXMCQPW-UHFFFAOYSA-N 1 2 295.343 1.216 20 5 CDBDLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000088759118 366667697 /nfs/dbraw/zinc/66/76/97/366667697.db2.gz WVARDROQFJXEJY-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000088759118 366667704 /nfs/dbraw/zinc/66/77/04/366667704.db2.gz WVARDROQFJXEJY-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000301801746 201206956 /nfs/dbraw/zinc/20/69/56/201206956.db2.gz WQLISZPCBBSTIA-NSHDSACASA-N 1 2 280.303 1.146 20 5 CDBDLO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@H]12 ZINC000248627305 361717644 /nfs/dbraw/zinc/71/76/44/361717644.db2.gz OJBXTDBTMUYVKS-OUAUKWLOSA-N 1 2 291.307 1.110 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042393162 364580265 /nfs/dbraw/zinc/58/02/65/364580265.db2.gz WIBXKTMEZAMCIW-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042393162 364580266 /nfs/dbraw/zinc/58/02/66/364580266.db2.gz WIBXKTMEZAMCIW-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000090360433 367033386 /nfs/dbraw/zinc/03/33/86/367033386.db2.gz NHTUZRRPOOVLBA-UHFFFAOYSA-N 1 2 281.268 1.460 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000090360433 367033393 /nfs/dbraw/zinc/03/33/93/367033393.db2.gz NHTUZRRPOOVLBA-UHFFFAOYSA-N 1 2 281.268 1.460 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CCO)CC1 ZINC000272283991 367673876 /nfs/dbraw/zinc/67/38/76/367673876.db2.gz FVHIORWGNRCSTM-ZDUSSCGKSA-N 1 2 293.367 1.574 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC12CCC2 ZINC000090565267 367679433 /nfs/dbraw/zinc/67/94/33/367679433.db2.gz IXGHGUJUBWWSJE-UHFFFAOYSA-N 1 2 293.323 1.011 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC12CCC2 ZINC000090565267 367679439 /nfs/dbraw/zinc/67/94/39/367679439.db2.gz IXGHGUJUBWWSJE-UHFFFAOYSA-N 1 2 293.323 1.011 20 5 CDBDLO C[C@@H](CO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272509075 367745586 /nfs/dbraw/zinc/74/55/86/367745586.db2.gz IOZIHHSWVXJKEX-GWCFXTLKSA-N 1 2 290.323 1.388 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000090794671 368132734 /nfs/dbraw/zinc/13/27/34/368132734.db2.gz INPVRJYCTNNALG-NSHDSACASA-N 1 2 281.312 1.346 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000090794671 368132742 /nfs/dbraw/zinc/13/27/42/368132742.db2.gz INPVRJYCTNNALG-NSHDSACASA-N 1 2 281.312 1.346 20 5 CDBDLO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346629 370247384 /nfs/dbraw/zinc/24/73/84/370247384.db2.gz TWTBXPXYTBOIOH-LLVKDONJSA-N 1 2 279.340 1.941 20 5 CDBDLO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346629 370247386 /nfs/dbraw/zinc/24/73/86/370247386.db2.gz TWTBXPXYTBOIOH-LLVKDONJSA-N 1 2 279.340 1.941 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000369135112 374347871 /nfs/dbraw/zinc/34/78/71/374347871.db2.gz SQKOADDGSKLROT-SWLSCSKDSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000369135112 374347875 /nfs/dbraw/zinc/34/78/75/374347875.db2.gz SQKOADDGSKLROT-SWLSCSKDSA-N 1 2 292.335 1.975 20 5 CDBDLO CCOc1cc(C[N@H+](CC)CC(N)=O)ccc1[N+](=O)[O-] ZINC000276900708 374758704 /nfs/dbraw/zinc/75/87/04/374758704.db2.gz LSKURFCIMBHEIT-UHFFFAOYSA-N 1 2 281.312 1.301 20 5 CDBDLO CCOc1cc(C[N@@H+](CC)CC(N)=O)ccc1[N+](=O)[O-] ZINC000276900708 374758710 /nfs/dbraw/zinc/75/87/10/374758710.db2.gz LSKURFCIMBHEIT-UHFFFAOYSA-N 1 2 281.312 1.301 20 5 CDBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351762531 375328466 /nfs/dbraw/zinc/32/84/66/375328466.db2.gz ZOLVQSHODPTGCP-MADCSZMMSA-N 1 2 272.251 1.686 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351762531 375328470 /nfs/dbraw/zinc/32/84/70/375328470.db2.gz ZOLVQSHODPTGCP-MADCSZMMSA-N 1 2 272.251 1.686 20 5 CDBDLO COc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000347336111 375558611 /nfs/dbraw/zinc/55/86/11/375558611.db2.gz KKMQAHZXGIXRCD-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO COc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000347336111 375558615 /nfs/dbraw/zinc/55/86/15/375558615.db2.gz KKMQAHZXGIXRCD-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000426483015 247031145 /nfs/dbraw/zinc/03/11/45/247031145.db2.gz HOIGMHOIEBKZDZ-UHFFFAOYSA-N 1 2 289.295 1.057 20 5 CDBDLO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357227209 375893074 /nfs/dbraw/zinc/89/30/74/375893074.db2.gz QUXJNTIPAMTFBE-UHFFFAOYSA-N 1 2 267.285 1.030 20 5 CDBDLO Cc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc[nH+]1 ZINC000443954685 250065701 /nfs/dbraw/zinc/06/57/01/250065701.db2.gz CJCITAITWXJJAQ-UHFFFAOYSA-N 1 2 284.279 1.604 20 5 CDBDLO Cc1cnc(N(C)[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278967955 194235023 /nfs/dbraw/zinc/23/50/23/194235023.db2.gz ZBGUNHGFTMPCDF-LBPRGKRZSA-N 1 2 294.355 1.455 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000365488964 285111993 /nfs/dbraw/zinc/11/19/93/285111993.db2.gz FEJSQVRFFRYUHZ-UHFFFAOYSA-N 1 2 281.268 1.725 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000365488964 285111996 /nfs/dbraw/zinc/11/19/96/285111996.db2.gz FEJSQVRFFRYUHZ-UHFFFAOYSA-N 1 2 281.268 1.725 20 5 CDBDLO Cn1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000289337556 197302227 /nfs/dbraw/zinc/30/22/27/197302227.db2.gz FKEQBOGKKUFIFL-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000289337556 197302228 /nfs/dbraw/zinc/30/22/28/197302228.db2.gz FKEQBOGKKUFIFL-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO C[C@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000364869041 390966065 /nfs/dbraw/zinc/96/60/65/390966065.db2.gz ZJXHPQFVZFGKDI-SNVBAGLBSA-N 1 2 295.295 1.971 20 5 CDBDLO C[C@H]1COCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000364869041 390966066 /nfs/dbraw/zinc/96/60/66/390966066.db2.gz ZJXHPQFVZFGKDI-SNVBAGLBSA-N 1 2 295.295 1.971 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000191776226 397662288 /nfs/dbraw/zinc/66/22/88/397662288.db2.gz HQCIDUQILVUXDN-ZWNOBZJWSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000191776226 397662291 /nfs/dbraw/zinc/66/22/91/397662291.db2.gz HQCIDUQILVUXDN-ZWNOBZJWSA-N 1 2 266.297 1.176 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000311802675 149219726 /nfs/dbraw/zinc/21/97/26/149219726.db2.gz KQMUWSNJMURUEB-UHFFFAOYSA-N 1 2 269.276 1.431 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000311802675 149219727 /nfs/dbraw/zinc/21/97/27/149219727.db2.gz KQMUWSNJMURUEB-UHFFFAOYSA-N 1 2 269.276 1.431 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375321467 160367383 /nfs/dbraw/zinc/36/73/83/160367383.db2.gz WUEQOIIAOABXKT-GFCCVEGCSA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375321467 160367384 /nfs/dbraw/zinc/36/73/84/160367384.db2.gz WUEQOIIAOABXKT-GFCCVEGCSA-N 1 2 291.286 1.772 20 5 CDBDLO CCOC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000353675484 156004257 /nfs/dbraw/zinc/00/42/57/156004257.db2.gz KWRFXIPUGBPGDP-NSHDSACASA-N 1 2 296.323 1.857 20 5 CDBDLO CCOC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000353675484 156004258 /nfs/dbraw/zinc/00/42/58/156004258.db2.gz KWRFXIPUGBPGDP-NSHDSACASA-N 1 2 296.323 1.857 20 5 CDBDLO COc1cccc(C(=O)NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000356772162 157566047 /nfs/dbraw/zinc/56/60/47/157566047.db2.gz CNCBCLVBQHIDNP-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2nccc(C)c2[N+](=O)[O-])CCO1 ZINC000362664677 159206741 /nfs/dbraw/zinc/20/67/41/159206741.db2.gz CCAQTBQDUPYSBZ-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2nccc(C)c2[N+](=O)[O-])CCO1 ZINC000362664677 159206744 /nfs/dbraw/zinc/20/67/44/159206744.db2.gz CCAQTBQDUPYSBZ-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](O)C3)c2c1 ZINC000413121337 280371474 /nfs/dbraw/zinc/37/14/74/280371474.db2.gz GCWJZTQTTQGEAO-LLVKDONJSA-N 1 2 259.265 1.714 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC(n2cc[nH+]c2)C1 ZINC000530370504 281478146 /nfs/dbraw/zinc/47/81/46/281478146.db2.gz KTGUGHDQOBIPFO-UHFFFAOYSA-N 1 2 276.300 1.377 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000541543497 289498164 /nfs/dbraw/zinc/49/81/64/289498164.db2.gz KDHHPDASYXBKKU-UHFFFAOYSA-N 1 2 288.307 1.230 20 5 CDBDLO Cn1c[nH+]cc1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000548519612 289898267 /nfs/dbraw/zinc/89/82/67/289898267.db2.gz JIOJKKYIMXVOJY-UHFFFAOYSA-N 1 2 274.280 1.187 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOCC12CCCC2 ZINC000362689838 303019615 /nfs/dbraw/zinc/01/96/15/303019615.db2.gz RHLUNZRMMOWKER-UHFFFAOYSA-N 1 2 280.328 1.473 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOCC12CCCC2 ZINC000362689838 303019618 /nfs/dbraw/zinc/01/96/18/303019618.db2.gz RHLUNZRMMOWKER-UHFFFAOYSA-N 1 2 280.328 1.473 20 5 CDBDLO COCCOC1C[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459470390 1161208967 /nfs/dbraw/zinc/20/89/67/1161208967.db2.gz SBLHPZCDYQKBGG-GFCCVEGCSA-N 1 2 294.351 1.873 20 5 CDBDLO CCC[N@H+](CC(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681347 521594029 /nfs/dbraw/zinc/59/40/29/521594029.db2.gz LHXLLMXUWTZHRQ-SNVBAGLBSA-N 1 2 292.286 1.129 20 5 CDBDLO CCC[N@@H+](CC(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681347 521594023 /nfs/dbraw/zinc/59/40/23/521594023.db2.gz LHXLLMXUWTZHRQ-SNVBAGLBSA-N 1 2 292.286 1.129 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000731678992 575059496 /nfs/dbraw/zinc/05/94/96/575059496.db2.gz VPRVWGWVJPXAKX-GFCCVEGCSA-N 1 2 262.269 1.141 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761057132 576539073 /nfs/dbraw/zinc/53/90/73/576539073.db2.gz PTDAGKURDDWMKN-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761057132 576539075 /nfs/dbraw/zinc/53/90/75/576539075.db2.gz PTDAGKURDDWMKN-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000763111567 576713879 /nfs/dbraw/zinc/71/38/79/576713879.db2.gz AANBXJFUULQNBP-UHFFFAOYSA-N 1 2 276.252 1.231 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000872771355 1165476386 /nfs/dbraw/zinc/47/63/86/1165476386.db2.gz HBCIRLKJJVOENZ-NSHDSACASA-N 1 2 297.359 1.159 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000872771355 1165476388 /nfs/dbraw/zinc/47/63/88/1165476388.db2.gz HBCIRLKJJVOENZ-NSHDSACASA-N 1 2 297.359 1.159 20 5 CDBDLO Cc1cccc2c1C[NH2+]CCN2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001579779068 1172259725 /nfs/dbraw/zinc/25/97/25/1172259725.db2.gz GUVIMUWBKIPRDH-ZWNOBZJWSA-N 1 2 275.308 1.096 20 5 CDBDLO Cc1cccc2c1C[NH2+]CCN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001579779068 1172259735 /nfs/dbraw/zinc/25/97/35/1172259735.db2.gz GUVIMUWBKIPRDH-ZWNOBZJWSA-N 1 2 275.308 1.096 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134199896 1175813321 /nfs/dbraw/zinc/81/33/21/1175813321.db2.gz GATHGXOKFSHUFJ-JTQLQIEISA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134199896 1175813328 /nfs/dbraw/zinc/81/33/28/1175813328.db2.gz GATHGXOKFSHUFJ-JTQLQIEISA-N 1 2 286.715 1.958 20 5 CDBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc[nH+]1 ZINC000801892555 726010268 /nfs/dbraw/zinc/01/02/68/726010268.db2.gz DCVHPOQZXQYYEQ-UHFFFAOYSA-N 1 2 290.254 1.694 20 5 CDBDLO O=c1[nH]ccc2c1C[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886171596 726018308 /nfs/dbraw/zinc/01/83/08/726018308.db2.gz JZUKJFJTMDVFBQ-UHFFFAOYSA-N 1 2 286.291 1.649 20 5 CDBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886171596 726018309 /nfs/dbraw/zinc/01/83/09/726018309.db2.gz JZUKJFJTMDVFBQ-UHFFFAOYSA-N 1 2 286.291 1.649 20 5 CDBDLO O=C(c1ccc(O)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929871600 726879567 /nfs/dbraw/zinc/87/95/67/726879567.db2.gz WCCWXLSCYOMGOK-UHFFFAOYSA-N 1 2 278.308 1.564 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000933968093 727259868 /nfs/dbraw/zinc/25/98/68/727259868.db2.gz HFDXZPHZIGEFCF-DZGCQCFKSA-N 1 2 292.335 1.893 20 5 CDBDLO Cc1ccc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000933968093 727259873 /nfs/dbraw/zinc/25/98/73/727259873.db2.gz HFDXZPHZIGEFCF-DZGCQCFKSA-N 1 2 292.335 1.893 20 5 CDBDLO CC(C)O[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000844717053 727395849 /nfs/dbraw/zinc/39/58/49/727395849.db2.gz NXFGABCMQJXJPR-GFCCVEGCSA-N 1 2 268.317 1.638 20 5 CDBDLO CC(C)O[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000844717053 727395851 /nfs/dbraw/zinc/39/58/51/727395851.db2.gz NXFGABCMQJXJPR-GFCCVEGCSA-N 1 2 268.317 1.638 20 5 CDBDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176608 727398510 /nfs/dbraw/zinc/39/85/10/727398510.db2.gz HFEAEKPTNSLRQW-LBPRGKRZSA-N 1 2 294.355 1.142 20 5 CDBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176608 727398512 /nfs/dbraw/zinc/39/85/12/727398512.db2.gz HFEAEKPTNSLRQW-LBPRGKRZSA-N 1 2 294.355 1.142 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886176608 727398514 /nfs/dbraw/zinc/39/85/14/727398514.db2.gz HFEAEKPTNSLRQW-LBPRGKRZSA-N 1 2 294.355 1.142 20 5 CDBDLO C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814036617 727451838 /nfs/dbraw/zinc/45/18/38/727451838.db2.gz HISLTOJKWYGGQI-JTQLQIEISA-N 1 2 275.264 1.694 20 5 CDBDLO NC(=O)c1cccc(C[N@H+](CC[N+](=O)[O-])C2CC2)c1 ZINC000930604829 728003830 /nfs/dbraw/zinc/00/38/30/728003830.db2.gz TXNFRAZGADKUHH-UHFFFAOYSA-N 1 2 263.297 1.027 20 5 CDBDLO NC(=O)c1cccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)c1 ZINC000930604829 728003834 /nfs/dbraw/zinc/00/38/34/728003834.db2.gz TXNFRAZGADKUHH-UHFFFAOYSA-N 1 2 263.297 1.027 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1NCCCNc1cccc[nH+]1 ZINC000891870805 728332760 /nfs/dbraw/zinc/33/27/60/728332760.db2.gz RQNKQUYQLSAKMD-UHFFFAOYSA-N 1 2 276.300 1.637 20 5 CDBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886315620 728364205 /nfs/dbraw/zinc/36/42/05/728364205.db2.gz UXSZPCDAOYYRGP-SNVBAGLBSA-N 1 2 273.296 1.939 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)NC[C@H]1C ZINC001173234419 912327545 /nfs/dbraw/zinc/32/75/45/912327545.db2.gz RFXMWETYOXGAJE-WDEREUQCSA-N 1 2 277.324 1.346 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)NC[C@H]1C ZINC001173234419 912327562 /nfs/dbraw/zinc/32/75/62/912327562.db2.gz RFXMWETYOXGAJE-WDEREUQCSA-N 1 2 277.324 1.346 20 5 CDBDLO CNC(=O)C1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCCC1 ZINC000851843402 927642542 /nfs/dbraw/zinc/64/25/42/927642542.db2.gz CMKUPESPDIAZDE-UHFFFAOYSA-N 1 2 282.300 1.040 20 5 CDBDLO O=[N+]([O-])CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC001119848974 937759744 /nfs/dbraw/zinc/75/97/44/937759744.db2.gz CRWNSBQNLUHZIG-UHFFFAOYSA-N 1 2 284.743 1.900 20 5 CDBDLO Nc1[nH]c2cc(O[C@H](C[N+](=O)[O-])C3CC3)ccc2[nH+]1 ZINC001230514996 942629586 /nfs/dbraw/zinc/62/95/86/942629586.db2.gz FVZODFJKWDRTOJ-LLVKDONJSA-N 1 2 262.269 1.579 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233578922 943620052 /nfs/dbraw/zinc/62/00/52/943620052.db2.gz WTMCSAUTOMCPAW-SECBINFHSA-N 1 2 297.267 1.212 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233578922 943620054 /nfs/dbraw/zinc/62/00/54/943620054.db2.gz WTMCSAUTOMCPAW-SECBINFHSA-N 1 2 297.267 1.212 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CO)C1 ZINC001254553166 947521210 /nfs/dbraw/zinc/52/12/10/947521210.db2.gz UAOZAKVGMBCVIT-WCQYABFASA-N 1 2 280.324 1.219 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CO)C1 ZINC001254553166 947521227 /nfs/dbraw/zinc/52/12/27/947521227.db2.gz UAOZAKVGMBCVIT-WCQYABFASA-N 1 2 280.324 1.219 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000588002808 342490848 /nfs/dbraw/zinc/49/08/48/342490848.db2.gz OPJKMIGWYDJWLX-NSHDSACASA-N 1 2 295.314 1.645 20 5 CDBDLO O=C(NCC1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032141806 539054186 /nfs/dbraw/zinc/05/41/86/539054186.db2.gz RXZCBMNJTALGHI-UHFFFAOYSA-N 1 2 286.291 1.920 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(C)c[nH]1 ZINC000594920949 342987180 /nfs/dbraw/zinc/98/71/80/342987180.db2.gz MYYFXYJPYHZTDD-UHFFFAOYSA-N 1 2 276.296 1.925 20 5 CDBDLO Cc1noc(C[NH+]2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000595298122 343027939 /nfs/dbraw/zinc/02/79/39/343027939.db2.gz NEYJPQZKPNRKOB-UHFFFAOYSA-N 1 2 255.274 1.096 20 5 CDBDLO CCc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000174216891 529603904 /nfs/dbraw/zinc/60/39/04/529603904.db2.gz QWFCTHMVEJVUAI-UHFFFAOYSA-N 1 2 288.307 1.853 20 5 CDBDLO Cc1noc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465929 343071142 /nfs/dbraw/zinc/07/11/42/343071142.db2.gz GKUHSFAIQARFHA-TVQRCGJNSA-N 1 2 297.311 1.271 20 5 CDBDLO Cc1noc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465929 343071144 /nfs/dbraw/zinc/07/11/44/343071144.db2.gz GKUHSFAIQARFHA-TVQRCGJNSA-N 1 2 297.311 1.271 20 5 CDBDLO CCn1cc[nH+]c1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596251647 343274852 /nfs/dbraw/zinc/27/48/52/343274852.db2.gz UQPAPWCOHTZQLM-UHFFFAOYSA-N 1 2 263.257 1.524 20 5 CDBDLO Cc1nn(C)c(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596431552 343319494 /nfs/dbraw/zinc/31/94/94/343319494.db2.gz OZJZIPYJGKHNGM-UWVGGRQHSA-N 1 2 297.359 1.158 20 5 CDBDLO Cc1nn(C)c(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596431552 343319496 /nfs/dbraw/zinc/31/94/96/343319496.db2.gz OZJZIPYJGKHNGM-UWVGGRQHSA-N 1 2 297.359 1.158 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3nc[nH]n3)CC2)cc1 ZINC000602871708 344641557 /nfs/dbraw/zinc/64/15/57/344641557.db2.gz VADIWZDEBKRWPM-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO CC(=O)c1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000609494807 345050778 /nfs/dbraw/zinc/05/07/78/345050778.db2.gz WXNOPHHRIRNEJV-UHFFFAOYSA-N 1 2 289.291 1.908 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000611191060 346686055 /nfs/dbraw/zinc/68/60/55/346686055.db2.gz DBJRJRWHFJGGMY-UHFFFAOYSA-N 1 2 289.295 1.049 20 5 CDBDLO COCC[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000303983962 365938369 /nfs/dbraw/zinc/93/83/69/365938369.db2.gz RSDFJXSZDOBUBQ-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO COCC[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000303983962 365938372 /nfs/dbraw/zinc/93/83/72/365938372.db2.gz RSDFJXSZDOBUBQ-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000273982061 192388740 /nfs/dbraw/zinc/38/87/40/192388740.db2.gz ISQWBZCCCASYAH-GFCCVEGCSA-N 1 2 276.296 1.152 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336849398 356385765 /nfs/dbraw/zinc/38/57/65/356385765.db2.gz RKPIDTDNDJWXJR-SECBINFHSA-N 1 2 292.270 1.749 20 5 CDBDLO CCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000135252101 357816259 /nfs/dbraw/zinc/81/62/59/357816259.db2.gz NVQSVWCOCNZHBA-NSHDSACASA-N 1 2 284.316 1.113 20 5 CDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000188611410 357917223 /nfs/dbraw/zinc/91/72/23/357917223.db2.gz XDOQBDNKRZUOLX-QWHCGFSZSA-N 1 2 294.307 1.011 20 5 CDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000188611410 357917228 /nfs/dbraw/zinc/91/72/28/357917228.db2.gz XDOQBDNKRZUOLX-QWHCGFSZSA-N 1 2 294.307 1.011 20 5 CDBDLO COC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000189407359 358006295 /nfs/dbraw/zinc/00/62/95/358006295.db2.gz UGIHILRNMGKGNR-SMDDNHRTSA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000189407359 358006299 /nfs/dbraw/zinc/00/62/99/358006299.db2.gz UGIHILRNMGKGNR-SMDDNHRTSA-N 1 2 280.324 1.831 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(C)=O ZINC000567812114 358738112 /nfs/dbraw/zinc/73/81/12/358738112.db2.gz GULKHDQGJPUWCT-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(C)=O ZINC000567812114 358738113 /nfs/dbraw/zinc/73/81/13/358738113.db2.gz GULKHDQGJPUWCT-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000291215177 358898544 /nfs/dbraw/zinc/89/85/44/358898544.db2.gz KYZJFPYVQQJNCM-ZDUSSCGKSA-N 1 2 280.324 1.832 20 5 CDBDLO COCC[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000291215177 358898547 /nfs/dbraw/zinc/89/85/47/358898547.db2.gz KYZJFPYVQQJNCM-ZDUSSCGKSA-N 1 2 280.324 1.832 20 5 CDBDLO Cc1c(C(=O)NCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000088752953 366555620 /nfs/dbraw/zinc/55/56/20/366555620.db2.gz UGDTWFZZNMVHKG-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1c(C(=O)NCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000088752953 366555624 /nfs/dbraw/zinc/55/56/24/366555624.db2.gz UGDTWFZZNMVHKG-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)cc([N+](=O)[O-])c1 ZINC000358345659 360973473 /nfs/dbraw/zinc/97/34/73/360973473.db2.gz ZHCKNPLQEOJLBA-UHFFFAOYSA-N 1 2 273.248 1.678 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000168626264 364031545 /nfs/dbraw/zinc/03/15/45/364031545.db2.gz IQUMXPKJPSMBAI-GXFFZTMASA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000168626264 364031549 /nfs/dbraw/zinc/03/15/49/364031549.db2.gz IQUMXPKJPSMBAI-GXFFZTMASA-N 1 2 266.297 1.176 20 5 CDBDLO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000101958758 364519047 /nfs/dbraw/zinc/51/90/47/364519047.db2.gz LCKVHTXYBRSSBQ-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000368053573 371496634 /nfs/dbraw/zinc/49/66/34/371496634.db2.gz ANXMIRASIAWRTI-NWDGAFQWSA-N 1 2 294.355 1.718 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000368053573 371496638 /nfs/dbraw/zinc/49/66/38/371496638.db2.gz ANXMIRASIAWRTI-NWDGAFQWSA-N 1 2 294.355 1.718 20 5 CDBDLO COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000356747462 373047498 /nfs/dbraw/zinc/04/74/98/373047498.db2.gz ROCQMUXKQFRCSR-UHFFFAOYSA-N 1 2 290.279 1.898 20 5 CDBDLO COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000356747462 373047505 /nfs/dbraw/zinc/04/75/05/373047505.db2.gz ROCQMUXKQFRCSR-UHFFFAOYSA-N 1 2 290.279 1.898 20 5 CDBDLO COC(=O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000066495891 374336071 /nfs/dbraw/zinc/33/60/71/374336071.db2.gz NSADIODJGXHRPW-UHFFFAOYSA-N 1 2 282.296 1.515 20 5 CDBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000118724110 374669799 /nfs/dbraw/zinc/66/97/99/374669799.db2.gz XLNHMXLQOQJRTR-UHFFFAOYSA-N 1 2 290.279 1.815 20 5 CDBDLO CCOCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093315799 374741074 /nfs/dbraw/zinc/74/10/74/374741074.db2.gz WWMKBIXNMVHRBF-UHFFFAOYSA-N 1 2 281.312 1.502 20 5 CDBDLO CCOCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093315799 374741080 /nfs/dbraw/zinc/74/10/80/374741080.db2.gz WWMKBIXNMVHRBF-UHFFFAOYSA-N 1 2 281.312 1.502 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277201779 374776972 /nfs/dbraw/zinc/77/69/72/374776972.db2.gz MQPKQJPXHZHLSE-NSPYISDASA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277201779 374776974 /nfs/dbraw/zinc/77/69/74/374776974.db2.gz MQPKQJPXHZHLSE-NSPYISDASA-N 1 2 282.365 1.938 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000331461029 374958198 /nfs/dbraw/zinc/95/81/98/374958198.db2.gz ZBSFJGVEOZNMPP-NSHDSACASA-N 1 2 275.312 1.994 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000331461029 374958200 /nfs/dbraw/zinc/95/82/00/374958200.db2.gz 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CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000299345348 358878831 /nfs/dbraw/zinc/87/88/31/358878831.db2.gz PSPKDVRUZTYLAV-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339061699 359283428 /nfs/dbraw/zinc/28/34/28/359283428.db2.gz PHSQRDIHABAIPA-PELKAZGASA-N 1 2 252.270 1.113 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339061699 359283430 /nfs/dbraw/zinc/28/34/30/359283430.db2.gz PHSQRDIHABAIPA-PELKAZGASA-N 1 2 252.270 1.113 20 5 CDBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccncc1 ZINC000348064857 360299233 /nfs/dbraw/zinc/29/92/33/360299233.db2.gz AEPBQBUKNMFRHR-UHFFFAOYSA-N 1 2 275.312 1.745 20 5 CDBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccncc1 ZINC000348064857 360299235 /nfs/dbraw/zinc/29/92/35/360299235.db2.gz AEPBQBUKNMFRHR-UHFFFAOYSA-N 1 2 275.312 1.745 20 5 CDBDLO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000354947447 360326680 /nfs/dbraw/zinc/32/66/80/360326680.db2.gz 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ZINC000269470321 370162162 /nfs/dbraw/zinc/16/21/62/370162162.db2.gz IVLINFMJIDERJP-NSHDSACASA-N 1 2 280.303 1.146 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000131258129 375205488 /nfs/dbraw/zinc/20/54/88/375205488.db2.gz FOKUJIDPIWIAKZ-UHFFFAOYSA-N 1 2 295.339 1.689 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131258129 375205496 /nfs/dbraw/zinc/20/54/96/375205496.db2.gz FOKUJIDPIWIAKZ-UHFFFAOYSA-N 1 2 295.339 1.689 20 5 CDBDLO CC[C@@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(N)=O ZINC000351751126 375326664 /nfs/dbraw/zinc/32/66/64/375326664.db2.gz GLVZLMPNYXOOKC-GFCCVEGCSA-N 1 2 287.266 1.617 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000352656684 375526294 /nfs/dbraw/zinc/52/62/94/375526294.db2.gz CAVGDDUUHNJFQT-NSHDSACASA-N 1 2 297.742 1.911 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000352656684 375526299 /nfs/dbraw/zinc/52/62/99/375526299.db2.gz CAVGDDUUHNJFQT-NSHDSACASA-N 1 2 297.742 1.911 20 5 CDBDLO O=[N+]([O-])c1cnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc1 ZINC000354584814 375729907 /nfs/dbraw/zinc/72/99/07/375729907.db2.gz XGIYIZUWLOUVQU-UHFFFAOYSA-N 1 2 296.290 1.809 20 5 CDBDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000355262305 375787068 /nfs/dbraw/zinc/78/70/68/375787068.db2.gz GETHQMLONUCDBW-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075148 375881979 /nfs/dbraw/zinc/88/19/79/375881979.db2.gz VIXIHUIUWQKDOO-QWHCGFSZSA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075148 375881991 /nfs/dbraw/zinc/88/19/91/375881991.db2.gz VIXIHUIUWQKDOO-QWHCGFSZSA-N 1 2 293.367 1.998 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1Cc1[nH+]ccn1-c1ccccc1 ZINC000434644690 248124809 /nfs/dbraw/zinc/12/48/09/248124809.db2.gz WJUGWDJZYOGAKO-UHFFFAOYSA-N 1 2 296.286 1.991 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000492274164 253188786 /nfs/dbraw/zinc/18/87/86/253188786.db2.gz LNZWQBWLZRVIFC-RKDXNWHRSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000492274164 253188788 /nfs/dbraw/zinc/18/87/88/253188788.db2.gz LNZWQBWLZRVIFC-RKDXNWHRSA-N 1 2 286.715 1.176 20 5 CDBDLO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286209429 390193754 /nfs/dbraw/zinc/19/37/54/390193754.db2.gz SNZLXYSSMFLVQH-SCZZXKLOSA-N 1 2 279.296 1.028 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283459376 195862261 /nfs/dbraw/zinc/86/22/61/195862261.db2.gz FFHCKYJLVNAUGX-SNVBAGLBSA-N 1 2 280.328 1.310 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(N)=O)CC(C)C ZINC000430193968 393091720 /nfs/dbraw/zinc/09/17/20/393091720.db2.gz HGRYKGXWWDMSOL-UHFFFAOYSA-N 1 2 295.339 1.547 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)CC(C)C ZINC000430193968 393091725 /nfs/dbraw/zinc/09/17/25/393091725.db2.gz HGRYKGXWWDMSOL-UHFFFAOYSA-N 1 2 295.339 1.547 20 5 CDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000532323507 393070851 /nfs/dbraw/zinc/07/08/51/393070851.db2.gz CEWIGBSBECJQEH-UHFFFAOYSA-N 1 2 290.254 1.628 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255060995 140334808 /nfs/dbraw/zinc/33/48/08/140334808.db2.gz QRRSADKPYAQDBE-BRLPQQTGSA-N 1 2 289.335 1.948 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255060995 140334810 /nfs/dbraw/zinc/33/48/10/140334810.db2.gz QRRSADKPYAQDBE-BRLPQQTGSA-N 1 2 289.335 1.948 20 5 CDBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352442160 155190356 /nfs/dbraw/zinc/19/03/56/155190356.db2.gz LGXAHWQVPPLSBW-UHFFFAOYSA-N 1 2 298.262 1.960 20 5 CDBDLO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184766425 148370358 /nfs/dbraw/zinc/37/03/58/148370358.db2.gz ZDNXRJSNQZVXGM-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO C[NH2+]Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000349933263 154275520 /nfs/dbraw/zinc/27/55/20/154275520.db2.gz HGOSFJCICMZFTM-UHFFFAOYSA-N 1 2 262.269 1.596 20 5 CDBDLO COC1(C)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000353022154 155595459 /nfs/dbraw/zinc/59/54/59/155595459.db2.gz FFPCYCDYSIQWHF-LBPRGKRZSA-N 1 2 296.323 1.055 20 5 CDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1=O ZINC000362201131 159096232 /nfs/dbraw/zinc/09/62/32/159096232.db2.gz UAOJKJVPKLHZIS-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1=O ZINC000362201131 159096233 /nfs/dbraw/zinc/09/62/33/159096233.db2.gz UAOJKJVPKLHZIS-GFCCVEGCSA-N 1 2 263.297 1.305 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000493857775 424620547 /nfs/dbraw/zinc/62/05/47/424620547.db2.gz QKTQBAKYLMSRMX-UTCJRWHESA-N 1 2 272.264 1.648 20 5 CDBDLO CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H](C)[NH3+] ZINC000399753185 270374951 /nfs/dbraw/zinc/37/49/51/270374951.db2.gz VJBIUDBOFHFPSO-QPUJVOFHSA-N 1 2 281.312 1.858 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277479213 288214604 /nfs/dbraw/zinc/21/46/04/288214604.db2.gz MPECRZIZLDFGCF-NSPYISDASA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277479213 288214605 /nfs/dbraw/zinc/21/46/05/288214605.db2.gz MPECRZIZLDFGCF-NSPYISDASA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000530540174 281539600 /nfs/dbraw/zinc/53/96/00/281539600.db2.gz RNYVZANRFVZCAA-SNVBAGLBSA-N 1 2 288.307 1.748 20 5 CDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C[NH2+]1 ZINC000237646704 300194107 /nfs/dbraw/zinc/19/41/07/300194107.db2.gz HPSUGGVFNPZNHF-IUCAKERBSA-N 1 2 279.296 1.123 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000771598858 575595528 /nfs/dbraw/zinc/59/55/28/575595528.db2.gz WGZJMOAGPARQGA-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000771598858 575595531 /nfs/dbraw/zinc/59/55/31/575595531.db2.gz WGZJMOAGPARQGA-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000771598858 575595534 /nfs/dbraw/zinc/59/55/34/575595534.db2.gz WGZJMOAGPARQGA-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000771598858 575595536 /nfs/dbraw/zinc/59/55/36/575595536.db2.gz WGZJMOAGPARQGA-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(=O)NC ZINC000747524806 576873873 /nfs/dbraw/zinc/87/38/73/576873873.db2.gz RVOFXXVVSAXSTD-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(=O)NC ZINC000747524806 576873874 /nfs/dbraw/zinc/87/38/74/576873874.db2.gz RVOFXXVVSAXSTD-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1 ZINC000748462947 576913918 /nfs/dbraw/zinc/91/39/18/576913918.db2.gz YPPNILIUMLKMJA-ZDUSSCGKSA-N 1 2 294.307 1.359 20 5 CDBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccccc2[N+](=O)[O-])C1 ZINC000748462947 576913919 /nfs/dbraw/zinc/91/39/19/576913919.db2.gz YPPNILIUMLKMJA-ZDUSSCGKSA-N 1 2 294.307 1.359 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]1CO ZINC000934015373 617853711 /nfs/dbraw/zinc/85/37/11/617853711.db2.gz WXMAOABCPXRGHC-LLVKDONJSA-N 1 2 252.270 1.170 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]1CO ZINC000934015373 617853712 /nfs/dbraw/zinc/85/37/12/617853712.db2.gz WXMAOABCPXRGHC-LLVKDONJSA-N 1 2 252.270 1.170 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000895801580 619852059 /nfs/dbraw/zinc/85/20/59/619852059.db2.gz QPCNYSKWDXYBBL-SNVBAGLBSA-N 1 2 298.318 1.652 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncccc1[N+](=O)[O-] ZINC000895805413 619853841 /nfs/dbraw/zinc/85/38/41/619853841.db2.gz SXFJPQZWJPTXNY-NSHDSACASA-N 1 2 280.328 1.513 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000895805767 619853848 /nfs/dbraw/zinc/85/38/48/619853848.db2.gz WTDZTDUTNFDUOX-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO O=C1CCCN1C1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000897784248 621120918 /nfs/dbraw/zinc/12/09/18/621120918.db2.gz RKHNWSBGNKGGQX-UHFFFAOYSA-N 1 2 289.335 1.444 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H]3CO)c2)cc1 ZINC000902634124 625069720 /nfs/dbraw/zinc/06/97/20/625069720.db2.gz ZULDQSYPUCFUIU-CQSZACIVSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H]3CO)c2)cc1 ZINC000902634124 625069726 /nfs/dbraw/zinc/06/97/26/625069726.db2.gz ZULDQSYPUCFUIU-CQSZACIVSA-N 1 2 288.307 1.482 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000134145035 1175812789 /nfs/dbraw/zinc/81/27/89/1175812789.db2.gz WCVRWDXJTOUSSL-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000134145035 1175812793 /nfs/dbraw/zinc/81/27/93/1175812793.db2.gz WCVRWDXJTOUSSL-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000872772240 730997492 /nfs/dbraw/zinc/99/74/92/730997492.db2.gz RHDOHDUYJWUEJV-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000872772240 730997510 /nfs/dbraw/zinc/99/75/10/730997510.db2.gz RHDOHDUYJWUEJV-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO CCOC(=O)CC[N@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000848501971 731273291 /nfs/dbraw/zinc/27/32/91/731273291.db2.gz MSSXFHNNDRISTH-UHFFFAOYSA-N 1 2 284.316 1.412 20 5 CDBDLO CCOC(=O)CC[N@@H+](Cn1nccc1[N+](=O)[O-])C(C)C ZINC000848501971 731273294 /nfs/dbraw/zinc/27/32/94/731273294.db2.gz MSSXFHNNDRISTH-UHFFFAOYSA-N 1 2 284.316 1.412 20 5 CDBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000784005571 731376915 /nfs/dbraw/zinc/37/69/15/731376915.db2.gz OOXHNKFSEZETTF-GFCCVEGCSA-N 1 2 280.328 1.497 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848496396 731833724 /nfs/dbraw/zinc/83/37/24/731833724.db2.gz ATVVMDGVRHQAIO-GFCCVEGCSA-N 1 2 280.328 1.782 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848496396 731833725 /nfs/dbraw/zinc/83/37/25/731833725.db2.gz ATVVMDGVRHQAIO-GFCCVEGCSA-N 1 2 280.328 1.782 20 5 CDBDLO Cc1[nH+]ccn1CCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780072699 732307263 /nfs/dbraw/zinc/30/72/63/732307263.db2.gz SNVJTFQSYQBNBO-UHFFFAOYSA-N 1 2 291.263 1.662 20 5 CDBDLO O=C(OCCF)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172669778 732399186 /nfs/dbraw/zinc/39/91/86/732399186.db2.gz NEKTVOKOCGIQSJ-UHFFFAOYSA-N 1 2 279.227 1.907 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000852076540 732774439 /nfs/dbraw/zinc/77/44/39/732774439.db2.gz JIRLGWRBFQTIMS-PJXYFTJBSA-N 1 2 294.282 1.585 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000852076540 732774442 /nfs/dbraw/zinc/77/44/42/732774442.db2.gz JIRLGWRBFQTIMS-PJXYFTJBSA-N 1 2 294.282 1.585 20 5 CDBDLO C[C@@H]1CCOCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886114406 733050366 /nfs/dbraw/zinc/05/03/66/733050366.db2.gz ONJNXDDSZFQECO-SNVBAGLBSA-N 1 2 251.286 1.601 20 5 CDBDLO C[C@@H]1CCOCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886114406 733050368 /nfs/dbraw/zinc/05/03/68/733050368.db2.gz ONJNXDDSZFQECO-SNVBAGLBSA-N 1 2 251.286 1.601 20 5 CDBDLO C[C@@H](C[N+](C)(C)C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620501 903382508 /nfs/dbraw/zinc/38/25/08/903382508.db2.gz RDKAMLHXLXSZGO-VIFPVBQESA-O 1 2 255.294 1.774 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800848876 935941596 /nfs/dbraw/zinc/94/15/96/935941596.db2.gz JLRUBPMFGACSEC-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800848876 935941598 /nfs/dbraw/zinc/94/15/98/935941598.db2.gz JLRUBPMFGACSEC-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cccc([N+](=O)[O-])n1 ZINC001162850076 939153057 /nfs/dbraw/zinc/15/30/57/939153057.db2.gz TYWZVDJVIUMSFA-QMMMGPOBSA-N 1 2 282.300 1.071 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc([N+](=O)[O-])ccc1C ZINC001211285124 940745249 /nfs/dbraw/zinc/74/52/49/940745249.db2.gz AFYUNTCKDFHWJV-UHFFFAOYSA-N 1 2 290.279 1.848 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C ZINC001222769995 941633077 /nfs/dbraw/zinc/63/30/77/941633077.db2.gz AQXMFTDGDZQYCK-OLZOCXBDSA-N 1 2 294.307 1.357 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc([N+](=O)[O-])c2)C[N@H+]1C ZINC001222769995 941633079 /nfs/dbraw/zinc/63/30/79/941633079.db2.gz AQXMFTDGDZQYCK-OLZOCXBDSA-N 1 2 294.307 1.357 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001226764627 942064974 /nfs/dbraw/zinc/06/49/74/942064974.db2.gz LTHWBDFSMZIYKE-NSHDSACASA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001226764627 942064980 /nfs/dbraw/zinc/06/49/80/942064980.db2.gz LTHWBDFSMZIYKE-NSHDSACASA-N 1 2 267.285 1.008 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001246 942254783 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C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001254553804 947524559 /nfs/dbraw/zinc/52/45/59/947524559.db2.gz ZNXCCRDDBDUNNF-SCDSUCTJSA-N 1 2 282.315 1.931 20 5 CDBDLO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000285895281 342004592 /nfs/dbraw/zinc/00/45/92/342004592.db2.gz CQPUWFBQXUHRQM-VHSXEESVSA-N 1 2 279.296 1.300 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccsc2[N+](=O)[O-])CCO1 ZINC000608779193 342037443 /nfs/dbraw/zinc/03/74/43/342037443.db2.gz PHGCLEYJACCRLE-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccsc2[N+](=O)[O-])CCO1 ZINC000608779193 342037444 /nfs/dbraw/zinc/03/74/44/342037444.db2.gz PHGCLEYJACCRLE-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO O=[N+]([O-])c1c(N2CCc3[nH+]c[nH]c3C2)nc2sccn21 ZINC000590567468 342576160 /nfs/dbraw/zinc/57/61/60/342576160.db2.gz HFLOXHWZSARRJH-UHFFFAOYSA-N 1 2 290.308 1.590 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000591150717 342618924 /nfs/dbraw/zinc/61/89/24/342618924.db2.gz VIIYJDPRCICOSN-KCJUWKMLSA-N 1 2 284.291 1.260 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000591150717 342618925 /nfs/dbraw/zinc/61/89/25/342618925.db2.gz VIIYJDPRCICOSN-KCJUWKMLSA-N 1 2 284.291 1.260 20 5 CDBDLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000047931503 342146730 /nfs/dbraw/zinc/14/67/30/342146730.db2.gz GEGZJAICATVEHN-LLVKDONJSA-N 1 2 288.307 1.918 20 5 CDBDLO COc1ccc(C[NH2+]Cc2nc(C)c[nH]2)cc1[N+](=O)[O-] ZINC000594917677 342985978 /nfs/dbraw/zinc/98/59/78/342985978.db2.gz LIYRZEUXPAAPOI-UHFFFAOYSA-N 1 2 276.296 1.925 20 5 CDBDLO Cc1noc(C[N@@H+]2CCS[C@H](C)C2)c1[N+](=O)[O-] ZINC000595304462 343030355 /nfs/dbraw/zinc/03/03/55/343030355.db2.gz SVDHPOPZPVSOHE-SSDOTTSWSA-N 1 2 257.315 1.829 20 5 CDBDLO Cc1noc(C[N@H+]2CCS[C@H](C)C2)c1[N+](=O)[O-] ZINC000595304462 343030356 /nfs/dbraw/zinc/03/03/56/343030356.db2.gz SVDHPOPZPVSOHE-SSDOTTSWSA-N 1 2 257.315 1.829 20 5 CDBDLO CCO[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595322636 343035789 /nfs/dbraw/zinc/03/57/89/343035789.db2.gz TUVRRCNHCLMSGE-SNVBAGLBSA-N 1 2 269.301 1.892 20 5 CDBDLO CCO[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595322636 343035791 /nfs/dbraw/zinc/03/57/91/343035791.db2.gz TUVRRCNHCLMSGE-SNVBAGLBSA-N 1 2 269.301 1.892 20 5 CDBDLO Cc1nn(C)c(NCc2ccc[nH+]c2N)c1[N+](=O)[O-] ZINC000596252557 343275243 /nfs/dbraw/zinc/27/52/43/343275243.db2.gz HWJFXIRRZZGHPR-UHFFFAOYSA-N 1 2 262.273 1.226 20 5 CDBDLO CCc1nn(C)c(N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000094132490 342429860 /nfs/dbraw/zinc/42/98/60/342429860.db2.gz VVBQZRTUQFPNQE-UHFFFAOYSA-N 1 2 278.316 1.261 20 5 CDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1csc([N+](=O)[O-])c1 ZINC000598949024 343933700 /nfs/dbraw/zinc/93/37/00/343933700.db2.gz SDAXAQQIETUTPM-SECBINFHSA-N 1 2 292.320 1.598 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000085826070 344161896 /nfs/dbraw/zinc/16/18/96/344161896.db2.gz AIKZNSQZADFONW-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000085826070 344161897 /nfs/dbraw/zinc/16/18/97/344161897.db2.gz AIKZNSQZADFONW-UHFFFAOYSA-N 1 2 276.296 1.959 20 5 CDBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000305114924 529974896 /nfs/dbraw/zinc/97/48/96/529974896.db2.gz JVNUQLAXWUAXAG-UHFFFAOYSA-N 1 2 286.303 1.157 20 5 CDBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000305114924 529974897 /nfs/dbraw/zinc/97/48/97/529974897.db2.gz JVNUQLAXWUAXAG-UHFFFAOYSA-N 1 2 286.303 1.157 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000603837047 344839090 /nfs/dbraw/zinc/83/90/90/344839090.db2.gz YIRPAIMTMKPOMW-UHFFFAOYSA-N 1 2 285.307 1.711 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611101056 346607947 /nfs/dbraw/zinc/60/79/47/346607947.db2.gz XJODXDBJXHBUII-SECBINFHSA-N 1 2 295.343 1.047 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611101056 346607951 /nfs/dbraw/zinc/60/79/51/346607951.db2.gz XJODXDBJXHBUII-SECBINFHSA-N 1 2 295.343 1.047 20 5 CDBDLO Cc1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611104146 346609155 /nfs/dbraw/zinc/60/91/55/346609155.db2.gz LRTNZWSXLYYQPI-LBPRGKRZSA-N 1 2 292.339 1.209 20 5 CDBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2C)cc1[N+](=O)[O-] ZINC000038007679 362832747 /nfs/dbraw/zinc/83/27/47/362832747.db2.gz SBPYFUOZIJZUAL-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+](C)CCO1 ZINC000108945473 186236715 /nfs/dbraw/zinc/23/67/15/186236715.db2.gz YPZLRMMFPDNBAM-NSHDSACASA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000108945473 186236717 /nfs/dbraw/zinc/23/67/17/186236717.db2.gz YPZLRMMFPDNBAM-NSHDSACASA-N 1 2 266.301 1.041 20 5 CDBDLO O=[N+]([O-])c1cnc(-n2c[nH+]c(CCCO)c2)s1 ZINC000619695760 350835305 /nfs/dbraw/zinc/83/53/05/350835305.db2.gz BTJFLRWDTDYJJI-UHFFFAOYSA-N 1 2 254.271 1.162 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358417860 356195209 /nfs/dbraw/zinc/19/52/09/356195209.db2.gz FPICXKVCYUIPEA-UHFFFAOYSA-N 1 2 292.270 1.624 20 5 CDBDLO Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000119149373 357312095 /nfs/dbraw/zinc/31/20/95/357312095.db2.gz UHLXBZOOJBQIJK-UHFFFAOYSA-N 1 2 275.268 1.948 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000282870390 357477620 /nfs/dbraw/zinc/47/76/20/357477620.db2.gz XWODPJNRZUJLPX-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000282870390 357477623 /nfs/dbraw/zinc/47/76/23/357477623.db2.gz XWODPJNRZUJLPX-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])c(N)n2)[nH+]1 ZINC000286629338 357611970 /nfs/dbraw/zinc/61/19/70/357611970.db2.gz RYXJMLIDZZHCFU-UHFFFAOYSA-N 1 2 288.311 1.715 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000187569856 357780754 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CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000436569564 358792277 /nfs/dbraw/zinc/79/22/77/358792277.db2.gz GEJAIOJAYCUHFL-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO O=C(C[NH+]1CCC(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000048347239 359203376 /nfs/dbraw/zinc/20/33/76/359203376.db2.gz FJZXSHXMBGOBEM-UHFFFAOYSA-N 1 2 293.323 1.238 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000339098402 359288584 /nfs/dbraw/zinc/28/85/84/359288584.db2.gz CVQDIOVQCYRRQZ-LLVKDONJSA-N 1 2 266.297 1.647 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000339098402 359288585 /nfs/dbraw/zinc/28/85/85/359288585.db2.gz CVQDIOVQCYRRQZ-LLVKDONJSA-N 1 2 266.297 1.647 20 5 CDBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000365441090 359438842 /nfs/dbraw/zinc/43/88/42/359438842.db2.gz FSSMEXJIIKPLOF-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000365441090 359438846 /nfs/dbraw/zinc/43/88/46/359438846.db2.gz 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CC(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCOCC1 ZINC000891677969 617534418 /nfs/dbraw/zinc/53/44/18/617534418.db2.gz JNDQYIFXSKZZAO-NSHDSACASA-N 1 2 297.359 1.097 20 5 CDBDLO Cc1[nH]c(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH+]c1C ZINC000899512790 622289421 /nfs/dbraw/zinc/28/94/21/622289421.db2.gz CMIMOJUBXLSGMU-VXGBXAGGSA-N 1 2 292.339 1.398 20 5 CDBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449594 630557045 /nfs/dbraw/zinc/55/70/45/630557045.db2.gz ZNLSFJMKOBPOFX-MNOVXSKESA-N 1 2 282.344 1.884 20 5 CDBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449594 630557048 /nfs/dbraw/zinc/55/70/48/630557048.db2.gz ZNLSFJMKOBPOFX-MNOVXSKESA-N 1 2 282.344 1.884 20 5 CDBDLO COc1ccc(C[NH2+]Cc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000808383499 1162847794 /nfs/dbraw/zinc/84/77/94/1162847794.db2.gz GZQMPLYCHZRRNH-UHFFFAOYSA-N 1 2 276.296 1.627 20 5 CDBDLO NC(CCO)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000780126343 735844887 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O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000848496397 734682401 /nfs/dbraw/zinc/68/24/01/734682401.db2.gz ATVVMDGVRHQAIO-LBPRGKRZSA-N 1 2 280.328 1.782 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000830480770 735099570 /nfs/dbraw/zinc/09/95/70/735099570.db2.gz SYDZTBQKNDDWEV-ZYHUDNBSSA-N 1 2 254.261 1.672 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000830480770 735099572 /nfs/dbraw/zinc/09/95/72/735099572.db2.gz SYDZTBQKNDDWEV-ZYHUDNBSSA-N 1 2 254.261 1.672 20 5 CDBDLO COCCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000863270879 735241198 /nfs/dbraw/zinc/24/11/98/735241198.db2.gz ROCFVHYYDBHSFI-UHFFFAOYSA-N 1 2 268.317 1.497 20 5 CDBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC1(C)C ZINC000840126501 735765197 /nfs/dbraw/zinc/76/51/97/735765197.db2.gz UXVXZAHSGOKZBS-LBPRGKRZSA-N 1 2 282.344 1.804 20 5 CDBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CC1(C)C ZINC000840126501 735765202 /nfs/dbraw/zinc/76/52/02/735765202.db2.gz 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941851791 /nfs/dbraw/zinc/85/17/91/941851791.db2.gz SJPLJVWKJPJXRC-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225385462 941851796 /nfs/dbraw/zinc/85/17/96/941851796.db2.gz SJPLJVWKJPJXRC-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO Nc1[nH]c2cc(O[C@@H](C[N+](=O)[O-])C3CC3)ccc2[nH+]1 ZINC001230514997 942629700 /nfs/dbraw/zinc/62/97/00/942629700.db2.gz FVZODFJKWDRTOJ-NSHDSACASA-N 1 2 262.269 1.579 20 5 CDBDLO Cc1ccnc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001233555094 943615970 /nfs/dbraw/zinc/61/59/70/943615970.db2.gz DOUSVVXGRUXXOV-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1ccnc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001233555094 943615972 /nfs/dbraw/zinc/61/59/72/943615972.db2.gz DOUSVVXGRUXXOV-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO C[N@H+](CC(=O)OCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC001345049460 964549795 /nfs/dbraw/zinc/54/97/95/964549795.db2.gz OEQNNLPFDYPRFB-UHFFFAOYSA-N 1 2 280.324 1.717 20 5 CDBDLO 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ABYLNKMWVITBHS-SECBINFHSA-N 1 2 292.320 1.598 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CO ZINC000449254340 393132040 /nfs/dbraw/zinc/13/20/40/393132040.db2.gz XUMXFXMYXDJWOV-SECBINFHSA-N 1 2 274.267 1.743 20 5 CDBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000194911259 140150804 /nfs/dbraw/zinc/15/08/04/140150804.db2.gz GOEMCDVEXSOLRC-UHFFFAOYSA-N 1 2 297.311 1.028 20 5 CDBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000194911259 140150805 /nfs/dbraw/zinc/15/08/05/140150805.db2.gz GOEMCDVEXSOLRC-UHFFFAOYSA-N 1 2 297.311 1.028 20 5 CDBDLO Cn1cc[nH+]c1[C@@H](Nc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000343260636 152089579 /nfs/dbraw/zinc/08/95/79/152089579.db2.gz CCFWKCUBQYAJCJ-VIFPVBQESA-N 1 2 276.300 1.625 20 5 CDBDLO CSc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000362749019 159229578 /nfs/dbraw/zinc/22/95/78/159229578.db2.gz UJNZPAUHAAYJTF-UHFFFAOYSA-N 1 2 292.320 1.970 20 5 CDBDLO CSc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000362749019 159229579 /nfs/dbraw/zinc/22/95/79/159229579.db2.gz UJNZPAUHAAYJTF-UHFFFAOYSA-N 1 2 292.320 1.970 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000374882813 160323699 /nfs/dbraw/zinc/32/36/99/160323699.db2.gz XNMWZILRTGAHFZ-SNVBAGLBSA-N 1 2 276.300 1.352 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000374882813 160323700 /nfs/dbraw/zinc/32/37/00/160323700.db2.gz XNMWZILRTGAHFZ-SNVBAGLBSA-N 1 2 276.300 1.352 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000048623833 424268496 /nfs/dbraw/zinc/26/84/96/424268496.db2.gz JNPKFCQDDWRHSH-UHFFFAOYSA-N 1 2 260.253 1.221 20 5 CDBDLO Cc1nc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297274042 280589796 /nfs/dbraw/zinc/58/97/96/280589796.db2.gz WZCHBRVRZMVMFR-GXSJLCMTSA-N 1 2 295.343 1.214 20 5 CDBDLO C[C@@]1(O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286528081 289212280 /nfs/dbraw/zinc/21/22/80/289212280.db2.gz SVFRQTGIIGNVKJ-GFCCVEGCSA-N 1 2 272.251 1.830 20 5 CDBDLO C[C@@]1(O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286528081 289212282 /nfs/dbraw/zinc/21/22/82/289212282.db2.gz SVFRQTGIIGNVKJ-GFCCVEGCSA-N 1 2 272.251 1.830 20 5 CDBDLO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262200742 295251603 /nfs/dbraw/zinc/25/16/03/295251603.db2.gz NAPLJEOLMALIKO-VIFPVBQESA-N 1 2 279.296 1.111 20 5 CDBDLO CCn1ncnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583641402 325214771 /nfs/dbraw/zinc/21/47/71/325214771.db2.gz OSHSFIXZHGWJPP-LBPRGKRZSA-N 1 2 287.323 1.983 20 5 CDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000044187266 482653089 /nfs/dbraw/zinc/65/30/89/482653089.db2.gz LYUMZOBEWLPAHO-UHFFFAOYSA-N 1 2 286.247 1.766 20 5 CDBDLO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235304477 525105403 /nfs/dbraw/zinc/10/54/03/525105403.db2.gz SSDLKSZNAVBNOT-VXNVDRBHSA-N 1 2 265.269 1.094 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1 ZINC000155806809 525451597 /nfs/dbraw/zinc/45/15/97/525451597.db2.gz DMBFHRUCSOPRCQ-UHFFFAOYSA-N 1 2 262.269 1.912 20 5 CDBDLO COc1cccc(N(C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185338808 526130591 /nfs/dbraw/zinc/13/05/91/526130591.db2.gz IASCKIJXLCAIMQ-UHFFFAOYSA-N 1 2 295.339 1.372 20 5 CDBDLO C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000774289818 575194925 /nfs/dbraw/zinc/19/49/25/575194925.db2.gz DTSBKESLGPQDQT-UHFFFAOYSA-N 1 2 295.295 1.056 20 5 CDBDLO Nc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000733983484 575151980 /nfs/dbraw/zinc/15/19/80/575151980.db2.gz NHOFAKHWWGTWES-UHFFFAOYSA-N 1 2 287.279 1.071 20 5 CDBDLO O=C1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCN1 ZINC000769108301 576330581 /nfs/dbraw/zinc/33/05/81/576330581.db2.gz MOLNHGVNHWAQAN-ZZXKWVIFSA-N 1 2 275.308 1.430 20 5 CDBDLO O=C1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCN1 ZINC000769108301 576330582 /nfs/dbraw/zinc/33/05/82/576330582.db2.gz MOLNHGVNHWAQAN-ZZXKWVIFSA-N 1 2 275.308 1.430 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])OCCn1cc[nH+]c1 ZINC000763110828 576713361 /nfs/dbraw/zinc/71/33/61/576713361.db2.gz YKMQGYGBJUWMLJ-UHFFFAOYSA-N 1 2 275.264 1.577 20 5 CDBDLO CO[C@@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000794653153 619429230 /nfs/dbraw/zinc/42/92/30/619429230.db2.gz CCOXDINXDNXCQW-LBPRGKRZSA-N 1 2 268.317 1.558 20 5 CDBDLO CO[C@@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000794653153 619429233 /nfs/dbraw/zinc/42/92/33/619429233.db2.gz CCOXDINXDNXCQW-LBPRGKRZSA-N 1 2 268.317 1.558 20 5 CDBDLO CO[C@H]1C[NH2+][C@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001574009554 1170862085 /nfs/dbraw/zinc/86/20/85/1170862085.db2.gz ACPFRQJUEFJPBC-WQAKAFBOSA-N 1 2 294.307 1.576 20 5 CDBDLO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000882490242 738440757 /nfs/dbraw/zinc/44/07/57/738440757.db2.gz LKDONPAJZWAHOC-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000882490242 738440760 /nfs/dbraw/zinc/44/07/60/738440760.db2.gz LKDONPAJZWAHOC-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840183808 738472713 /nfs/dbraw/zinc/47/27/13/738472713.db2.gz JKEZAVMYZGOEOH-CYBMUJFWSA-N 1 2 296.327 1.332 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840183808 738472718 /nfs/dbraw/zinc/47/27/18/738472718.db2.gz JKEZAVMYZGOEOH-CYBMUJFWSA-N 1 2 296.327 1.332 20 5 CDBDLO CC(C)O[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000844716107 738256646 /nfs/dbraw/zinc/25/66/46/738256646.db2.gz HLECRRDKTMFLOX-LLVKDONJSA-N 1 2 268.317 1.638 20 5 CDBDLO CC(C)O[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000844716107 738256649 /nfs/dbraw/zinc/25/66/49/738256649.db2.gz HLECRRDKTMFLOX-LLVKDONJSA-N 1 2 268.317 1.638 20 5 CDBDLO O=[N+]([O-])c1cc(CO)c(NCCCn2cc[nH+]c2)cc1F ZINC000865398141 738678231 /nfs/dbraw/zinc/67/82/31/738678231.db2.gz RHKVJTBFRQDQMD-UHFFFAOYSA-N 1 2 294.286 1.925 20 5 CDBDLO COC(=O)[C@@]1(C)CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840185862 736526110 /nfs/dbraw/zinc/52/61/10/736526110.db2.gz TXLUMJOTUVUYCQ-LBPRGKRZSA-N 1 2 282.300 1.024 20 5 CDBDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840185862 736526122 /nfs/dbraw/zinc/52/61/22/736526122.db2.gz TXLUMJOTUVUYCQ-LBPRGKRZSA-N 1 2 282.300 1.024 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCCC1=O ZINC000795644294 737079213 /nfs/dbraw/zinc/07/92/13/737079213.db2.gz MEIXOFQUFFJCOV-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCCC1=O ZINC000795644294 737079215 /nfs/dbraw/zinc/07/92/15/737079215.db2.gz MEIXOFQUFFJCOV-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001218232302 898498338 /nfs/dbraw/zinc/49/83/38/898498338.db2.gz PWKUXGDQYRMASU-SNVBAGLBSA-N 1 2 258.224 1.889 20 5 CDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)OCCn1cc[nH+]c1 ZINC000778139325 933766327 /nfs/dbraw/zinc/76/63/27/933766327.db2.gz AEIIFOFTSIERRM-UHFFFAOYSA-N 1 2 276.252 1.231 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2[nH+]ccn2C)c1 ZINC001124008055 936265908 /nfs/dbraw/zinc/26/59/08/936265908.db2.gz QQDIWVJHADBKOV-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009915 941941096 /nfs/dbraw/zinc/94/10/96/941941096.db2.gz QAEVQFCRYOXSJD-SECBINFHSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009915 941941098 /nfs/dbraw/zinc/94/10/98/941941098.db2.gz QAEVQFCRYOXSJD-SECBINFHSA-N 1 2 270.260 1.443 20 5 CDBDLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001226951649 942101742 /nfs/dbraw/zinc/10/17/42/942101742.db2.gz COZVKNBKBPOUMP-LBPRGKRZSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001226951649 942101744 /nfs/dbraw/zinc/10/17/44/942101744.db2.gz COZVKNBKBPOUMP-LBPRGKRZSA-N 1 2 266.297 1.613 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])cc1 ZINC001227521528 942183058 /nfs/dbraw/zinc/18/30/58/942183058.db2.gz SGRQFTNXLBEGHF-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC001327455837 954885353 /nfs/dbraw/zinc/88/53/53/954885353.db2.gz SZLTWWGEQIVFCG-UHFFFAOYSA-N 1 2 290.283 1.340 20 5 CDBDLO CN1CCC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001341943520 963585918 /nfs/dbraw/zinc/58/59/18/963585918.db2.gz BNLWNRIACAJCMJ-CYBMUJFWSA-N 1 2 275.308 1.531 20 5 CDBDLO CN1CCC[C@@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001341943520 963585923 /nfs/dbraw/zinc/58/59/23/963585923.db2.gz BNLWNRIACAJCMJ-CYBMUJFWSA-N 1 2 275.308 1.531 20 5 CDBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000591150718 342618903 /nfs/dbraw/zinc/61/89/03/342618903.db2.gz VIIYJDPRCICOSN-KWQFWETISA-N 1 2 284.291 1.260 20 5 CDBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000591150718 342618904 /nfs/dbraw/zinc/61/89/04/342618904.db2.gz VIIYJDPRCICOSN-KWQFWETISA-N 1 2 284.291 1.260 20 5 CDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1[NH3+] ZINC000592331750 342685494 /nfs/dbraw/zinc/68/54/94/342685494.db2.gz PEIUIGNVFKULBM-ONGXEEELSA-N 1 2 293.323 1.500 20 5 CDBDLO CCn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000595072430 343002571 /nfs/dbraw/zinc/00/25/71/343002571.db2.gz HCOFTAVYTKURSS-ZDUSSCGKSA-N 1 2 287.323 1.983 20 5 CDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000565169575 362031482 /nfs/dbraw/zinc/03/14/82/362031482.db2.gz FNXUUZRTYFYPAA-JTQLQIEISA-N 1 2 263.297 1.874 20 5 CDBDLO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCC1=O ZINC000595772107 343147465 /nfs/dbraw/zinc/14/74/65/343147465.db2.gz ILHNEXMKBKXHLH-UHFFFAOYSA-N 1 2 297.742 1.912 20 5 CDBDLO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCC1=O ZINC000595772107 343147467 /nfs/dbraw/zinc/14/74/67/343147467.db2.gz ILHNEXMKBKXHLH-UHFFFAOYSA-N 1 2 297.742 1.912 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434024 343320447 /nfs/dbraw/zinc/32/04/47/343320447.db2.gz WOZKIGVNFZRKKS-VXGBXAGGSA-N 1 2 294.355 1.819 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434024 343320449 /nfs/dbraw/zinc/32/04/49/343320449.db2.gz WOZKIGVNFZRKKS-VXGBXAGGSA-N 1 2 294.355 1.819 20 5 CDBDLO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000602526275 344454471 /nfs/dbraw/zinc/45/44/71/344454471.db2.gz GVUHKULHXVYEDM-GFCCVEGCSA-N 1 2 293.323 1.370 20 5 CDBDLO COC(=O)[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602802350 344592272 /nfs/dbraw/zinc/59/22/72/344592272.db2.gz ZTVRLLGBHBOWOU-ZDUSSCGKSA-N 1 2 296.327 1.031 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602813255 344605122 /nfs/dbraw/zinc/60/51/22/344605122.db2.gz VWCFXGRCUQBDCI-ZDUSSCGKSA-N 1 2 296.327 1.127 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602813255 344605124 /nfs/dbraw/zinc/60/51/24/344605124.db2.gz VWCFXGRCUQBDCI-ZDUSSCGKSA-N 1 2 296.327 1.127 20 5 CDBDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000293517763 362573501 /nfs/dbraw/zinc/57/35/01/362573501.db2.gz ASGQWUFYFSGMPD-CYBMUJFWSA-N 1 2 296.298 1.928 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000344218289 362556446 /nfs/dbraw/zinc/55/64/46/362556446.db2.gz LSPKZFCYAFNMJG-UHFFFAOYSA-N 1 2 298.343 1.492 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000344218289 362556453 /nfs/dbraw/zinc/55/64/53/362556453.db2.gz LSPKZFCYAFNMJG-UHFFFAOYSA-N 1 2 298.343 1.492 20 5 CDBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000609963248 346050814 /nfs/dbraw/zinc/05/08/14/346050814.db2.gz LZABXYMJNFRXII-UHFFFAOYSA-N 1 2 271.342 1.425 20 5 CDBDLO CN(C)C(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029925579 348674439 /nfs/dbraw/zinc/67/44/39/348674439.db2.gz CUQCOEPNLPBXHF-UHFFFAOYSA-N 1 2 292.339 1.394 20 5 CDBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000067182085 349015827 /nfs/dbraw/zinc/01/58/27/349015827.db2.gz NMFYGIMZRJXTDI-UTCJRWHESA-N 1 2 286.291 1.621 20 5 CDBDLO CCc1nn(C)c(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091561247 180191982 /nfs/dbraw/zinc/19/19/82/180191982.db2.gz MBLKMFVZRLAMEJ-UHFFFAOYSA-N 1 2 278.316 1.589 20 5 CDBDLO COC(=O)C1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271347744 191086594 /nfs/dbraw/zinc/08/65/94/191086594.db2.gz GVYRDLZURBBPAM-UHFFFAOYSA-N 1 2 294.307 1.095 20 5 CDBDLO CC(C)[C@H](Nc1c([N+](=O)[O-])ncn1C)c1[nH]cc[nH+]1 ZINC000291178161 197944072 /nfs/dbraw/zinc/94/40/72/197944072.db2.gz ROZWLJWRAIFNNZ-QMMMGPOBSA-N 1 2 264.289 1.861 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000047257385 356971157 /nfs/dbraw/zinc/97/11/57/356971157.db2.gz GTVGTQONWRQOQO-LLVKDONJSA-N 1 2 288.307 1.539 20 5 CDBDLO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186734295 357681507 /nfs/dbraw/zinc/68/15/07/357681507.db2.gz CYAKGFYFCPGAIZ-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186734295 357681511 /nfs/dbraw/zinc/68/15/11/357681511.db2.gz CYAKGFYFCPGAIZ-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000361494110 358240512 /nfs/dbraw/zinc/24/05/12/358240512.db2.gz WUIKWJHVZRAEGF-UHFFFAOYSA-N 1 2 286.251 1.228 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000190828060 535424999 /nfs/dbraw/zinc/42/49/99/535424999.db2.gz ZIULKSNSXKHMJZ-SNVBAGLBSA-N 1 2 296.327 1.207 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000023991894 358550735 /nfs/dbraw/zinc/55/07/35/358550735.db2.gz MFNLPPOEJMEEDK-LBPRGKRZSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000023991894 358550737 /nfs/dbraw/zinc/55/07/37/358550737.db2.gz MFNLPPOEJMEEDK-LBPRGKRZSA-N 1 2 293.323 1.298 20 5 CDBDLO COC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338900385 359206241 /nfs/dbraw/zinc/20/62/41/359206241.db2.gz HTNBMRFNPWAJLJ-UHFFFAOYSA-N 1 2 294.307 1.685 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)C1CCOCC1 ZINC000339112605 359291174 /nfs/dbraw/zinc/29/11/74/359291174.db2.gz LRARLBSVZAZUET-UHFFFAOYSA-N 1 2 296.323 1.274 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)C1CCOCC1 ZINC000339112605 359291177 /nfs/dbraw/zinc/29/11/77/359291177.db2.gz LRARLBSVZAZUET-UHFFFAOYSA-N 1 2 296.323 1.274 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000088759258 360158989 /nfs/dbraw/zinc/15/89/89/360158989.db2.gz FUUYMYVRLNKFGF-UHFFFAOYSA-N 1 2 252.255 1.309 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000088759258 360158995 /nfs/dbraw/zinc/15/89/95/360158995.db2.gz FUUYMYVRLNKFGF-UHFFFAOYSA-N 1 2 252.255 1.309 20 5 CDBDLO COc1cc[nH+]cc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000348253847 360647090 /nfs/dbraw/zinc/64/70/90/360647090.db2.gz GEGKVKYUWVIEAB-UHFFFAOYSA-N 1 2 293.304 1.990 20 5 CDBDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000179594074 189205497 /nfs/dbraw/zinc/20/54/97/189205497.db2.gz HLGITPGDEAAQAP-GFCCVEGCSA-N 1 2 275.312 1.964 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267639641 361249830 /nfs/dbraw/zinc/24/98/30/361249830.db2.gz INUNSUOFQVUDCB-QWRGUYRKSA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267639641 361249837 /nfs/dbraw/zinc/24/98/37/361249837.db2.gz INUNSUOFQVUDCB-QWRGUYRKSA-N 1 2 290.323 1.365 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411992894 239898670 /nfs/dbraw/zinc/89/86/70/239898670.db2.gz XNJBOYRAUFYNAQ-GWCFXTLKSA-N 1 2 296.323 1.178 20 5 CDBDLO Cc1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc[nH+]1 ZINC000276257725 193260440 /nfs/dbraw/zinc/26/04/40/193260440.db2.gz TULGUZAWGCBQQM-UHFFFAOYSA-N 1 2 286.291 1.961 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000421769536 374330758 /nfs/dbraw/zinc/33/07/58/374330758.db2.gz SGVNPPDSQZDMHF-UHFFFAOYSA-N 1 2 288.307 1.907 20 5 CDBDLO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OCC ZINC000130987776 374346273 /nfs/dbraw/zinc/34/62/73/374346273.db2.gz RKFIPFJZPGSXQO-NSHDSACASA-N 1 2 284.316 1.113 20 5 CDBDLO COc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276734370 374745792 /nfs/dbraw/zinc/74/57/92/374745792.db2.gz RENBUDCZDFQOMI-VIFPVBQESA-N 1 2 291.311 1.583 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000449525356 374819365 /nfs/dbraw/zinc/81/93/65/374819365.db2.gz RIWUZJPAGQMTOM-DSDFTUOUSA-N 1 2 289.335 1.818 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000449525356 374819369 /nfs/dbraw/zinc/81/93/69/374819369.db2.gz RIWUZJPAGQMTOM-DSDFTUOUSA-N 1 2 289.335 1.818 20 5 CDBDLO Cn1cnnc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204465 374834251 /nfs/dbraw/zinc/83/42/51/374834251.db2.gz GZHSSLNMAVGKPT-ZDUSSCGKSA-N 1 2 287.323 1.891 20 5 CDBDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000266756965 374964710 /nfs/dbraw/zinc/96/47/10/374964710.db2.gz FKFNQFDDFLAQJF-VIFPVBQESA-N 1 2 288.311 1.767 20 5 CDBDLO CC1(C)CNC(=O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000282697417 375099518 /nfs/dbraw/zinc/09/95/18/375099518.db2.gz KRUBMLQDHGIKNS-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO CC1(C)CNC(=O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000282697417 375099521 /nfs/dbraw/zinc/09/95/21/375099521.db2.gz KRUBMLQDHGIKNS-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1Cc1[nH+]ccn1C(F)F ZINC000302910230 375267790 /nfs/dbraw/zinc/26/77/90/375267790.db2.gz KYEZTEORQFOEGH-UHFFFAOYSA-N 1 2 270.195 1.396 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000162612105 375389513 /nfs/dbraw/zinc/38/95/13/375389513.db2.gz YHEFCZLXGPRNGY-JTQLQIEISA-N 1 2 261.285 1.995 20 5 CDBDLO Cn1cc[nH+]c1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621634 375523551 /nfs/dbraw/zinc/52/35/51/375523551.db2.gz RWYFFEGDQXNWLG-UHFFFAOYSA-N 1 2 288.307 1.723 20 5 CDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])s1 ZINC000427996107 247227319 /nfs/dbraw/zinc/22/73/19/247227319.db2.gz XZEIQAMPUQTIBC-MRVPVSSYSA-N 1 2 292.320 1.598 20 5 CDBDLO COc1c(C(=O)NCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000354583641 375727757 /nfs/dbraw/zinc/72/77/57/375727757.db2.gz JKYDHUZCQJWHCR-UHFFFAOYSA-N 1 2 290.279 1.230 20 5 CDBDLO Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)[nH+]1 ZINC000347426285 376129026 /nfs/dbraw/zinc/12/90/26/376129026.db2.gz KZXADRXLPLQNMF-UHFFFAOYSA-N 1 2 275.268 1.592 20 5 CDBDLO CC[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288376434 197061935 /nfs/dbraw/zinc/06/19/35/197061935.db2.gz KCUBLYZLXVUVSD-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO CC[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288376434 197061937 /nfs/dbraw/zinc/06/19/37/197061937.db2.gz KCUBLYZLXVUVSD-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451099979 390595598 /nfs/dbraw/zinc/59/55/98/390595598.db2.gz OMJKSIMFNKMPIS-VIFPVBQESA-N 1 2 288.311 1.767 20 5 CDBDLO O=C1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CN1 ZINC000413477213 391218326 /nfs/dbraw/zinc/21/83/26/391218326.db2.gz GEOAGITYFGKNKJ-SECBINFHSA-N 1 2 286.291 1.691 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000519716618 391209223 /nfs/dbraw/zinc/20/92/23/391209223.db2.gz WGWODKBUFPVPRJ-UHFFFAOYSA-N 1 2 295.343 1.047 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000519716618 391209227 /nfs/dbraw/zinc/20/92/27/391209227.db2.gz WGWODKBUFPVPRJ-UHFFFAOYSA-N 1 2 295.343 1.047 20 5 CDBDLO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262022996 131184336 /nfs/dbraw/zinc/18/43/36/131184336.db2.gz YPUVSBQQLLPYPE-SECBINFHSA-N 1 2 279.296 1.030 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000523732863 392890946 /nfs/dbraw/zinc/89/09/46/392890946.db2.gz QAAAYZUWOYDXJI-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000523732863 392890949 /nfs/dbraw/zinc/89/09/49/392890949.db2.gz QAAAYZUWOYDXJI-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262425560 149062801 /nfs/dbraw/zinc/06/28/01/149062801.db2.gz SGIMDVZLCGBHCA-SNVBAGLBSA-N 1 2 279.296 1.172 20 5 CDBDLO CN(CC[NH+]1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000352567748 155275501 /nfs/dbraw/zinc/27/55/01/155275501.db2.gz OQCKDAWQURWSOO-UHFFFAOYSA-N 1 2 297.330 1.498 20 5 CDBDLO O=C1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000346454238 280260811 /nfs/dbraw/zinc/26/08/11/280260811.db2.gz LUJRFAKZDSNRDF-LBPRGKRZSA-N 1 2 275.308 1.401 20 5 CDBDLO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000346454238 280260814 /nfs/dbraw/zinc/26/08/14/280260814.db2.gz LUJRFAKZDSNRDF-LBPRGKRZSA-N 1 2 275.308 1.401 20 5 CDBDLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000524421152 281110560 /nfs/dbraw/zinc/11/05/60/281110560.db2.gz QPQOUUVQWSLMHG-UHFFFAOYSA-N 1 2 286.291 1.797 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000365820707 303019160 /nfs/dbraw/zinc/01/91/60/303019160.db2.gz QSBXGVPEGLOJTG-LLVKDONJSA-N 1 2 290.327 1.779 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000365820707 303019163 /nfs/dbraw/zinc/01/91/63/303019163.db2.gz QSBXGVPEGLOJTG-LLVKDONJSA-N 1 2 290.327 1.779 20 5 CDBDLO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339084866 303327901 /nfs/dbraw/zinc/32/79/01/303327901.db2.gz HXJUBSULHUDGPT-RYUDHWBXSA-N 1 2 293.323 1.434 20 5 CDBDLO CCOC(=O)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H](C)CC ZINC000183575204 323341213 /nfs/dbraw/zinc/34/12/13/323341213.db2.gz ANUORQGMCMZUNT-ZYHUDNBSSA-N 1 2 298.343 1.359 20 5 CDBDLO COCCOC1C[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459470393 1161208922 /nfs/dbraw/zinc/20/89/22/1161208922.db2.gz SBLHPZCDYQKBGG-LBPRGKRZSA-N 1 2 294.351 1.873 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCOCC1 ZINC000052812234 525576982 /nfs/dbraw/zinc/57/69/82/525576982.db2.gz DMCNFZZOSCLTTJ-UHFFFAOYSA-N 1 2 266.301 1.042 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000190828060 535424997 /nfs/dbraw/zinc/42/49/97/535424997.db2.gz ZIULKSNSXKHMJZ-SNVBAGLBSA-N 1 2 296.327 1.207 20 5 CDBDLO Cc1c(C[N@@H+]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000726790522 574506134 /nfs/dbraw/zinc/50/61/34/574506134.db2.gz DQOZJKARORGBNH-UHFFFAOYSA-N 1 2 263.297 1.225 20 5 CDBDLO Cc1c(C[N@H+]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000726790522 574506135 /nfs/dbraw/zinc/50/61/35/574506135.db2.gz DQOZJKARORGBNH-UHFFFAOYSA-N 1 2 263.297 1.225 20 5 CDBDLO CC(C)OC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000730564100 574992287 /nfs/dbraw/zinc/99/22/87/574992287.db2.gz IJDDJGSBKNBNIX-UHFFFAOYSA-N 1 2 268.317 1.638 20 5 CDBDLO COC(=O)CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000753167715 577151134 /nfs/dbraw/zinc/15/11/34/577151134.db2.gz BTSSEBLMPIGNRW-UHFFFAOYSA-N 1 2 296.327 1.414 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000892962113 617989566 /nfs/dbraw/zinc/98/95/66/617989566.db2.gz 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294.229 1.485 20 5 CDBDLO C[C@H]1COCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081081 742388393 /nfs/dbraw/zinc/38/83/93/742388393.db2.gz IPPMNJJZGHJBJK-JTQLQIEISA-N 1 2 251.286 1.601 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000886251409 740088779 /nfs/dbraw/zinc/08/87/79/740088779.db2.gz CANMVUIZFVJVCT-GFCCVEGCSA-N 1 2 288.311 1.418 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000886251409 740088785 /nfs/dbraw/zinc/08/87/85/740088785.db2.gz CANMVUIZFVJVCT-GFCCVEGCSA-N 1 2 288.311 1.418 20 5 CDBDLO CCc1[nH]nc(C(=O)OCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000837658434 740325715 /nfs/dbraw/zinc/32/57/15/740325715.db2.gz WUMXPTJQPNSHDG-UHFFFAOYSA-N 1 2 293.283 1.013 20 5 CDBDLO CN1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CCC1=O ZINC000886215930 740599772 /nfs/dbraw/zinc/59/97/72/740599772.db2.gz SYUOTGUQSMJWGF-NSHDSACASA-N 1 2 278.312 1.042 20 5 CDBDLO CN1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])CCC1=O ZINC000886215930 740599763 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C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001173230971 912326409 /nfs/dbraw/zinc/32/64/09/912326409.db2.gz HIEAXJUOMKESAA-HONMWMINSA-N 1 2 262.309 1.999 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H]2C[C@H]21 ZINC001173230971 912326427 /nfs/dbraw/zinc/32/64/27/912326427.db2.gz HIEAXJUOMKESAA-HONMWMINSA-N 1 2 262.309 1.999 20 5 CDBDLO CNc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N)c1 ZINC001167616844 897059611 /nfs/dbraw/zinc/05/96/11/897059611.db2.gz GQQXEWKQLHBBSG-UHFFFAOYSA-N 1 2 274.284 1.621 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2C)C[NH2+]1 ZINC001169130191 927743926 /nfs/dbraw/zinc/74/39/26/927743926.db2.gz KPPULYSEEXDTRV-KOLCDFICSA-N 1 2 297.286 1.358 20 5 CDBDLO Cc1nc(NC2CN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC001161326060 938889808 /nfs/dbraw/zinc/88/98/08/938889808.db2.gz QBTKEOSEZLQJIJ-UHFFFAOYSA-N 1 2 286.295 1.389 20 5 CDBDLO CNc1cc([N+](=O)[O-])cnc1NCCCn1cc[nH+]c1 ZINC001161682130 938919836 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CC(C)OC[C@@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000584681920 346401824 /nfs/dbraw/zinc/40/18/24/346401824.db2.gz ADXYRYOQIURDPE-LLVKDONJSA-N 1 2 288.369 1.874 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611274148 346732963 /nfs/dbraw/zinc/73/29/63/346732963.db2.gz XOHCUMJTMJNRHI-MNOVXSKESA-N 1 2 291.307 1.153 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611274148 346732967 /nfs/dbraw/zinc/73/29/67/346732967.db2.gz XOHCUMJTMJNRHI-MNOVXSKESA-N 1 2 291.307 1.153 20 5 CDBDLO CN(C)C(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000061785055 348911127 /nfs/dbraw/zinc/91/11/27/348911127.db2.gz YVUJUUJUVDYSNT-UHFFFAOYSA-N 1 2 251.286 1.115 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000061785055 348911128 /nfs/dbraw/zinc/91/11/28/348911128.db2.gz YVUJUUJUVDYSNT-UHFFFAOYSA-N 1 2 251.286 1.115 20 5 CDBDLO CCc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc[nH+]1 ZINC000618174550 349393268 /nfs/dbraw/zinc/39/32/68/349393268.db2.gz HSTGYSJDWZXVQJ-UHFFFAOYSA-N 1 2 298.306 1.858 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cnnc2C1 ZINC000105877275 186082319 /nfs/dbraw/zinc/08/23/19/186082319.db2.gz LFZNOYDAWOFKEF-UHFFFAOYSA-N 1 2 289.295 1.211 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cnnc2C1 ZINC000105877275 186082321 /nfs/dbraw/zinc/08/23/21/186082321.db2.gz LFZNOYDAWOFKEF-UHFFFAOYSA-N 1 2 289.295 1.211 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000355258638 366024249 /nfs/dbraw/zinc/02/42/49/366024249.db2.gz VFODULOGEOSBPW-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO Cc1cnc(NC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000308664567 356332268 /nfs/dbraw/zinc/33/22/68/356332268.db2.gz PJGPXQZQUHNSLR-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073419349 356936700 /nfs/dbraw/zinc/93/67/00/356936700.db2.gz YIEFUNURDWWREV-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073419349 356936704 /nfs/dbraw/zinc/93/67/04/356936704.db2.gz YIEFUNURDWWREV-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331241997 357246717 /nfs/dbraw/zinc/24/67/17/357246717.db2.gz NULDXIPSHVDCCT-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331241997 357246720 /nfs/dbraw/zinc/24/67/20/357246720.db2.gz NULDXIPSHVDCCT-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[N@H+](C)C1CC1 ZINC000181971374 357394423 /nfs/dbraw/zinc/39/44/23/357394423.db2.gz YKYDIQYLIAGNLP-VIFPVBQESA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[N@@H+](C)C1CC1 ZINC000181971374 357394425 /nfs/dbraw/zinc/39/44/25/357394425.db2.gz YKYDIQYLIAGNLP-VIFPVBQESA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C[NH+](C)C ZINC000294430743 199036973 /nfs/dbraw/zinc/03/69/73/199036973.db2.gz YRXHYUBNJFWFDJ-SECBINFHSA-N 1 2 281.312 1.228 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000296988725 200055587 /nfs/dbraw/zinc/05/55/87/200055587.db2.gz GAYUCPSAVQKBEF-UHFFFAOYSA-N 1 2 269.326 1.479 20 5 CDBDLO CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000347967174 359996352 /nfs/dbraw/zinc/99/63/52/359996352.db2.gz QNUMOKOENVSHRD-JTQLQIEISA-N 1 2 292.299 1.172 20 5 CDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000365795728 360419523 /nfs/dbraw/zinc/41/95/23/360419523.db2.gz KXAXBGFVVIXNSL-UHFFFAOYSA-N 1 2 272.264 1.447 20 5 CDBDLO CC(C)(CC(N)=O)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339090273 361274431 /nfs/dbraw/zinc/27/44/31/361274431.db2.gz VLOMTXRTSGWINW-UHFFFAOYSA-N 1 2 267.285 1.044 20 5 CDBDLO Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000367675593 364041504 /nfs/dbraw/zinc/04/15/04/364041504.db2.gz YMOXJMWBBGXFSZ-LLVKDONJSA-N 1 2 277.324 1.614 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000367675593 364041507 /nfs/dbraw/zinc/04/15/07/364041507.db2.gz YMOXJMWBBGXFSZ-LLVKDONJSA-N 1 2 277.324 1.614 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412106668 240020321 /nfs/dbraw/zinc/02/03/21/240020321.db2.gz IKMVCQAPNXHRJD-NWDGAFQWSA-N 1 2 286.291 1.738 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000271204375 366984016 /nfs/dbraw/zinc/98/40/16/366984016.db2.gz XNYSWYZYLDTWMT-SECBINFHSA-N 1 2 290.283 1.397 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269693984 373854503 /nfs/dbraw/zinc/85/45/03/373854503.db2.gz VWGONIKDJJQBHJ-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269693984 373854510 /nfs/dbraw/zinc/85/45/10/373854510.db2.gz VWGONIKDJJQBHJ-MFKMUULPSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277173158 374775994 /nfs/dbraw/zinc/77/59/94/374775994.db2.gz KTWWHHXUVJVSGP-WYRIXSBYSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277173158 374776000 /nfs/dbraw/zinc/77/60/00/374776000.db2.gz KTWWHHXUVJVSGP-WYRIXSBYSA-N 1 2 282.365 1.938 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000353155596 375582329 /nfs/dbraw/zinc/58/23/29/375582329.db2.gz CABKVBLJGKTFGQ-UHFFFAOYSA-N 1 2 293.258 1.278 20 5 CDBDLO C[C@@H]1[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048364 375672699 /nfs/dbraw/zinc/67/26/99/375672699.db2.gz ZSMKCSHJXXDZKD-OLZOCXBDSA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048364 375672704 /nfs/dbraw/zinc/67/27/04/375672704.db2.gz ZSMKCSHJXXDZKD-OLZOCXBDSA-N 1 2 293.367 1.998 20 5 CDBDLO CC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000048544341 375865455 /nfs/dbraw/zinc/86/54/55/375865455.db2.gz ROOPPWJFUDUWEM-UHFFFAOYSA-N 1 2 277.324 1.567 20 5 CDBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CC1 ZINC000171241317 376502101 /nfs/dbraw/zinc/50/21/01/376502101.db2.gz WNVHDRWRSRBJOJ-UHFFFAOYSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CC1 ZINC000171241317 376502110 /nfs/dbraw/zinc/50/21/10/376502110.db2.gz WNVHDRWRSRBJOJ-UHFFFAOYSA-N 1 2 289.335 1.838 20 5 CDBDLO Cc1nc(N[C@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000296625700 376609684 /nfs/dbraw/zinc/60/96/84/376609684.db2.gz VHEJYXHSUSCXRT-MRVPVSSYSA-N 1 2 262.273 1.390 20 5 CDBDLO CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635015 250156465 /nfs/dbraw/zinc/15/64/65/250156465.db2.gz CDXRQKFSTCNTNO-SNVBAGLBSA-N 1 2 276.296 1.692 20 5 CDBDLO CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635015 250156469 /nfs/dbraw/zinc/15/64/69/250156469.db2.gz CDXRQKFSTCNTNO-SNVBAGLBSA-N 1 2 276.296 1.692 20 5 CDBDLO O=C1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133161417 296335002 /nfs/dbraw/zinc/33/50/02/296335002.db2.gz YLUXOHXPEHIAOT-KBPBESRZSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133161417 296335003 /nfs/dbraw/zinc/33/50/03/296335003.db2.gz YLUXOHXPEHIAOT-KBPBESRZSA-N 1 2 289.335 1.838 20 5 CDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000286509131 390382687 /nfs/dbraw/zinc/38/26/87/390382687.db2.gz YWBZEHMDBUPEGI-YPMHNXCESA-N 1 2 292.339 1.289 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)Cn1cc[nH+]c1 ZINC000288116381 390666724 /nfs/dbraw/zinc/66/67/24/390666724.db2.gz LDPJNRGUOPNDRU-SECBINFHSA-N 1 2 278.316 1.817 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000317743902 390812610 /nfs/dbraw/zinc/81/26/10/390812610.db2.gz XOVOYHIYSASAIM-QPUJVOFHSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000317743902 390812613 /nfs/dbraw/zinc/81/26/13/390812613.db2.gz XOVOYHIYSASAIM-QPUJVOFHSA-N 1 2 286.715 1.033 20 5 CDBDLO COCC1(O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413311387 391198749 /nfs/dbraw/zinc/19/87/49/391198749.db2.gz IHPBJSRKLOZKLW-UHFFFAOYSA-N 1 2 289.291 1.341 20 5 CDBDLO Cc1cnc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000520254406 391257719 /nfs/dbraw/zinc/25/77/19/391257719.db2.gz VLYVEJDSIHDFTE-TXEJJXNPSA-N 1 2 295.339 1.786 20 5 CDBDLO Cc1cnc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000520254406 391257722 /nfs/dbraw/zinc/25/77/22/391257722.db2.gz VLYVEJDSIHDFTE-TXEJJXNPSA-N 1 2 295.339 1.786 20 5 CDBDLO CC(C)([NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232560786 391327961 /nfs/dbraw/zinc/32/79/61/391327961.db2.gz XJNOINJVCNRWIS-UHFFFAOYSA-N 1 2 267.285 1.756 20 5 CDBDLO Cc1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000269473483 132175877 /nfs/dbraw/zinc/17/58/77/132175877.db2.gz JRDNBNZPHOAWBU-GFCCVEGCSA-N 1 2 276.340 1.315 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207204 393093045 /nfs/dbraw/zinc/09/30/45/393093045.db2.gz MASUHYUPJFBTRH-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207204 393093052 /nfs/dbraw/zinc/09/30/52/393093052.db2.gz MASUHYUPJFBTRH-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1N1CC(n2cc[nH+]c2)C1 ZINC000532089682 393066016 /nfs/dbraw/zinc/06/60/16/393066016.db2.gz YBKHTKZPYMQIRE-UHFFFAOYSA-N 1 2 262.244 1.992 20 5 CDBDLO COC[C@]1(CO)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449698310 393139220 /nfs/dbraw/zinc/13/92/20/393139220.db2.gz NLFAHQBMWHTRER-CQSZACIVSA-N 1 2 296.323 1.131 20 5 CDBDLO COC[C@]1(CO)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449698310 393139226 /nfs/dbraw/zinc/13/92/26/393139226.db2.gz NLFAHQBMWHTRER-CQSZACIVSA-N 1 2 296.323 1.131 20 5 CDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2OCCO2)CC1 ZINC000122130888 296514712 /nfs/dbraw/zinc/51/47/12/296514712.db2.gz DRYXYPLOMVTGJY-UHFFFAOYSA-N 1 2 293.323 1.090 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](CO)C2)c(F)c1 ZINC000284322859 196029739 /nfs/dbraw/zinc/02/97/39/196029739.db2.gz WNVFDBDXZXKTTM-MRVPVSSYSA-N 1 2 272.251 1.687 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](CO)C2)c(F)c1 ZINC000284322859 196029741 /nfs/dbraw/zinc/02/97/41/196029741.db2.gz WNVFDBDXZXKTTM-MRVPVSSYSA-N 1 2 272.251 1.687 20 5 CDBDLO Cn1ncnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285303205 196246107 /nfs/dbraw/zinc/24/61/07/196246107.db2.gz LIWGAYDQANMEJD-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1ncnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285303205 196246109 /nfs/dbraw/zinc/24/61/09/196246109.db2.gz LIWGAYDQANMEJD-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO CCC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429176247 276250681 /nfs/dbraw/zinc/25/06/81/276250681.db2.gz NCCVXDKBBFQGFO-UHFFFAOYSA-N 1 2 285.731 1.946 20 5 CDBDLO CCC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429176247 276250683 /nfs/dbraw/zinc/25/06/83/276250683.db2.gz NCCVXDKBBFQGFO-UHFFFAOYSA-N 1 2 285.731 1.946 20 5 CDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286265544 278904146 /nfs/dbraw/zinc/90/41/46/278904146.db2.gz GYPAUJBQULYBPR-NXEZZACHSA-N 1 2 298.368 1.351 20 5 CDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCc1[nH]cc[nH+]1 ZINC000255893156 289389522 /nfs/dbraw/zinc/38/95/22/289389522.db2.gz HEZMEQGUILMKHR-PLNGDYQASA-N 1 2 286.291 1.690 20 5 CDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000583082812 325102997 /nfs/dbraw/zinc/10/29/97/325102997.db2.gz GNFOZMFKBCUAIY-YMTOWFKASA-N 1 2 291.307 1.629 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCNC(=O)C1 ZINC000743844741 576657162 /nfs/dbraw/zinc/65/71/62/576657162.db2.gz VZTJLNLIOYCCKB-JTQLQIEISA-N 1 2 263.297 1.478 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCNC(=O)C1 ZINC000743844741 576657163 /nfs/dbraw/zinc/65/71/63/576657163.db2.gz VZTJLNLIOYCCKB-JTQLQIEISA-N 1 2 263.297 1.478 20 5 CDBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)OCCn1cc[nH+]c1 ZINC000763110438 576713430 /nfs/dbraw/zinc/71/34/30/576713430.db2.gz XDYGRIXLEYUCDR-UHFFFAOYSA-N 1 2 276.252 1.231 20 5 CDBDLO Cc1cc(C(=O)OCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000747781540 576884225 /nfs/dbraw/zinc/88/42/25/576884225.db2.gz LLYPJPNAWYQXBW-UHFFFAOYSA-N 1 2 275.264 1.994 20 5 CDBDLO CCOC(=O)CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000747787125 576884449 /nfs/dbraw/zinc/88/44/49/576884449.db2.gz VYYGBQWSBHZKBI-UHFFFAOYSA-N 1 2 282.300 1.166 20 5 CDBDLO CCOC(=O)CC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000747787125 576884452 /nfs/dbraw/zinc/88/44/52/576884452.db2.gz VYYGBQWSBHZKBI-UHFFFAOYSA-N 1 2 282.300 1.166 20 5 CDBDLO CC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000917615312 632257220 /nfs/dbraw/zinc/25/72/20/632257220.db2.gz RLJLDLDIVAFFJU-UHFFFAOYSA-N 1 2 289.133 1.996 20 5 CDBDLO CC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000917615312 632257224 /nfs/dbraw/zinc/25/72/24/632257224.db2.gz RLJLDLDIVAFFJU-UHFFFAOYSA-N 1 2 289.133 1.996 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCn3cccc3C2)c1 ZINC000932528540 743304271 /nfs/dbraw/zinc/30/42/71/743304271.db2.gz HFWPFFFPBIYUCV-HNNXBMFYSA-N 1 2 287.319 1.946 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCn3cccc3C2)c1 ZINC000932528540 743304282 /nfs/dbraw/zinc/30/42/82/743304282.db2.gz HFWPFFFPBIYUCV-HNNXBMFYSA-N 1 2 287.319 1.946 20 5 CDBDLO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545990 745094163 /nfs/dbraw/zinc/09/41/63/745094163.db2.gz NQGVRXXMPXDDQG-MFKMUULPSA-N 1 2 282.344 1.884 20 5 CDBDLO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545990 745094172 /nfs/dbraw/zinc/09/41/72/745094172.db2.gz NQGVRXXMPXDDQG-MFKMUULPSA-N 1 2 282.344 1.884 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000789775962 746001195 /nfs/dbraw/zinc/00/11/95/746001195.db2.gz FMUABINSDNRKCY-UHFFFAOYSA-N 1 2 275.264 1.728 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000038103219 747485079 /nfs/dbraw/zinc/48/50/79/747485079.db2.gz VZKCCFBTKXVFBA-SECBINFHSA-N 1 2 292.270 1.749 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)n1 ZINC000925311097 747847792 /nfs/dbraw/zinc/84/77/92/747847792.db2.gz CRGHHFGVXFFYOO-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO CC(C)(CNc1ccnc(F)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000881753839 748065152 /nfs/dbraw/zinc/06/51/52/748065152.db2.gz ZODHLVSVUXAOHT-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO C[C@H]([NH2+]Cc1nncn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525238 748574345 /nfs/dbraw/zinc/57/43/45/748574345.db2.gz JVHAXQXYDIWKES-QMMMGPOBSA-N 1 2 276.300 1.156 20 5 CDBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167123995 894650439 /nfs/dbraw/zinc/65/04/39/894650439.db2.gz PCESPTQHOKITMI-UHFFFAOYSA-N 1 2 289.295 1.266 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(O)C1 ZINC000775062659 920250202 /nfs/dbraw/zinc/25/02/02/920250202.db2.gz GCWYFZXVAFMHFO-UHFFFAOYSA-N 1 2 281.268 1.458 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(O)C1 ZINC000775062659 920250212 /nfs/dbraw/zinc/25/02/12/920250212.db2.gz GCWYFZXVAFMHFO-UHFFFAOYSA-N 1 2 281.268 1.458 20 5 CDBDLO O=C1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@H]1F ZINC001169005365 927609397 /nfs/dbraw/zinc/60/93/97/927609397.db2.gz BGTHAKKGLZTIBC-MXWKQRLJSA-N 1 2 258.293 1.435 20 5 CDBDLO O=C1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@H]1F ZINC001169005365 927609404 /nfs/dbraw/zinc/60/94/04/927609404.db2.gz BGTHAKKGLZTIBC-MXWKQRLJSA-N 1 2 258.293 1.435 20 5 CDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169655581 928293380 /nfs/dbraw/zinc/29/33/80/928293380.db2.gz ICKNLCRQNCAQKD-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169655581 928293392 /nfs/dbraw/zinc/29/33/92/928293392.db2.gz ICKNLCRQNCAQKD-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO Cc1nnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000719084076 931889080 /nfs/dbraw/zinc/88/90/80/931889080.db2.gz WCWNQDYIMJIOPN-LLVKDONJSA-N 1 2 278.268 1.109 20 5 CDBDLO NC(=O)c1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001161964389 938949412 /nfs/dbraw/zinc/94/94/12/938949412.db2.gz HXLIPKMYDLSKGB-UHFFFAOYSA-N 1 2 275.268 1.002 20 5 CDBDLO CC[NH+]1CC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986801 941811392 /nfs/dbraw/zinc/81/13/92/941811392.db2.gz KASBUICREXSPKK-UHFFFAOYSA-N 1 2 294.307 1.359 20 5 CDBDLO COCCOC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609884 947555959 /nfs/dbraw/zinc/55/59/59/947555959.db2.gz DSCLGASWIPYNTB-AWEZNQCLSA-N 1 2 292.335 1.409 20 5 CDBDLO O=c1[nH]ccc(SCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001327642127 954974336 /nfs/dbraw/zinc/97/43/36/954974336.db2.gz WIAHMFIGZRBPEV-UHFFFAOYSA-N 1 2 285.325 1.120 20 5 CDBDLO Cc1c[nH+]cc(C)c1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001349792026 966474285 /nfs/dbraw/zinc/47/42/85/966474285.db2.gz RKZFCXPXMAVYCP-UHFFFAOYSA-N 1 2 265.313 1.894 20 5 CDBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1n[nH]c(=O)o1 ZINC000595545934 343083813 /nfs/dbraw/zinc/08/38/13/343083813.db2.gz BGVSCUFDZQBKCD-UHFFFAOYSA-N 1 2 294.267 1.194 20 5 CDBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1n[nH]c(=O)o1 ZINC000595545934 343083814 /nfs/dbraw/zinc/08/38/14/343083814.db2.gz BGVSCUFDZQBKCD-UHFFFAOYSA-N 1 2 294.267 1.194 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596432819 343319989 /nfs/dbraw/zinc/31/99/89/343319989.db2.gz SXMBRYBHJPZIBS-UWVGGRQHSA-N 1 2 298.318 1.650 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596432819 343319992 /nfs/dbraw/zinc/31/99/92/343319992.db2.gz SXMBRYBHJPZIBS-UWVGGRQHSA-N 1 2 298.318 1.650 20 5 CDBDLO CCc1nn(C)c(N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000596541338 343346499 /nfs/dbraw/zinc/34/64/99/343346499.db2.gz FLFPXDPJKZWHMH-MRVPVSSYSA-N 1 2 278.316 1.797 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000602768970 344574331 /nfs/dbraw/zinc/57/43/31/344574331.db2.gz ZDIYHOPUVFFZOL-NXEZZACHSA-N 1 2 268.317 1.209 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000602768970 344574332 /nfs/dbraw/zinc/57/43/32/344574332.db2.gz ZDIYHOPUVFFZOL-NXEZZACHSA-N 1 2 268.317 1.209 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000027646284 348664836 /nfs/dbraw/zinc/66/48/36/348664836.db2.gz HPZFGCCJWFCMEK-UWVGGRQHSA-N 1 2 293.323 1.303 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000027646284 348664838 /nfs/dbraw/zinc/66/48/38/348664838.db2.gz HPZFGCCJWFCMEK-UWVGGRQHSA-N 1 2 293.323 1.303 20 5 CDBDLO NC(=O)N1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111686710 350494892 /nfs/dbraw/zinc/49/48/92/350494892.db2.gz ZOBCTNBOHUMLFQ-UHFFFAOYSA-N 1 2 296.302 1.320 20 5 CDBDLO NC(=O)N1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111686710 350494896 /nfs/dbraw/zinc/49/48/96/350494896.db2.gz ZOBCTNBOHUMLFQ-UHFFFAOYSA-N 1 2 296.302 1.320 20 5 CDBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[NH2+]C1 ZINC000286243201 356236009 /nfs/dbraw/zinc/23/60/09/356236009.db2.gz UVDRZGAVCNPRLU-AWEZNQCLSA-N 1 2 293.323 1.420 20 5 CDBDLO COc1cccc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134909867 356461127 /nfs/dbraw/zinc/46/11/27/356461127.db2.gz BNQDVNRMVHXGBI-UHFFFAOYSA-N 1 2 262.269 1.912 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000070979621 357178479 /nfs/dbraw/zinc/17/84/79/357178479.db2.gz MGMGYKVWZRNIHR-AATRIKPKSA-N 1 2 286.291 1.990 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000380214404 357367142 /nfs/dbraw/zinc/36/71/42/357367142.db2.gz QRWKAYKQTDUUJP-SREVYHEPSA-N 1 2 286.291 1.956 20 5 CDBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000120319584 358689875 /nfs/dbraw/zinc/68/98/75/358689875.db2.gz XLTRGHGMAXDUGW-GQCTYLIASA-N 1 2 289.335 1.818 20 5 CDBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000120319584 358689878 /nfs/dbraw/zinc/68/98/78/358689878.db2.gz XLTRGHGMAXDUGW-GQCTYLIASA-N 1 2 289.335 1.818 20 5 CDBDLO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OCC ZINC000176219090 358741391 /nfs/dbraw/zinc/74/13/91/358741391.db2.gz KNKJDLUEFHCLLS-UHFFFAOYSA-N 1 2 284.316 1.066 20 5 CDBDLO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OCC ZINC000176219090 358741394 /nfs/dbraw/zinc/74/13/94/358741394.db2.gz KNKJDLUEFHCLLS-UHFFFAOYSA-N 1 2 284.316 1.066 20 5 CDBDLO CC(C)[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339081077 359285892 /nfs/dbraw/zinc/28/58/92/359285892.db2.gz IDXBYRRGYLOVCG-LLVKDONJSA-N 1 2 254.286 1.407 20 5 CDBDLO O=C(Nc1cc[nH+]cc1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358353072 360976371 /nfs/dbraw/zinc/97/63/71/360976371.db2.gz LRCIWHBXKWPRBW-UHFFFAOYSA-N 1 2 277.211 1.509 20 5 CDBDLO COC(=O)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000546591886 366724296 /nfs/dbraw/zinc/72/42/96/366724296.db2.gz NAUJFXGPSJSWOE-CYBMUJFWSA-N 1 2 296.323 1.761 20 5 CDBDLO Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000367675594 364042074 /nfs/dbraw/zinc/04/20/74/364042074.db2.gz YMOXJMWBBGXFSZ-NSHDSACASA-N 1 2 277.324 1.614 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000367675594 364042078 /nfs/dbraw/zinc/04/20/78/364042078.db2.gz YMOXJMWBBGXFSZ-NSHDSACASA-N 1 2 277.324 1.614 20 5 CDBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000268167952 364379912 /nfs/dbraw/zinc/37/99/12/364379912.db2.gz KIDOSIJKJUHZNU-ZDUSSCGKSA-N 1 2 298.364 1.604 20 5 CDBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000268167952 364379914 /nfs/dbraw/zinc/37/99/14/364379914.db2.gz KIDOSIJKJUHZNU-ZDUSSCGKSA-N 1 2 298.364 1.604 20 5 CDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000170866238 369979295 /nfs/dbraw/zinc/97/92/95/369979295.db2.gz YDRIEQQMKWNGOA-UHFFFAOYSA-N 1 2 297.311 1.028 20 5 CDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000170866238 369979298 /nfs/dbraw/zinc/97/92/98/369979298.db2.gz YDRIEQQMKWNGOA-UHFFFAOYSA-N 1 2 297.311 1.028 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331911591 204285332 /nfs/dbraw/zinc/28/53/32/204285332.db2.gz KLMUWFFCNGCTIQ-UHFFFAOYSA-N 1 2 289.295 1.666 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331911591 204285334 /nfs/dbraw/zinc/28/53/34/204285334.db2.gz KLMUWFFCNGCTIQ-UHFFFAOYSA-N 1 2 289.295 1.666 20 5 CDBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000298749556 372271307 /nfs/dbraw/zinc/27/13/07/372271307.db2.gz JZJANCNBAPGKGJ-SECBINFHSA-N 1 2 270.310 1.651 20 5 CDBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000298749556 372271316 /nfs/dbraw/zinc/27/13/16/372271316.db2.gz JZJANCNBAPGKGJ-SECBINFHSA-N 1 2 270.310 1.651 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657687 373370104 /nfs/dbraw/zinc/37/01/04/373370104.db2.gz IUIVKPJGXWBSIO-ZWNOBZJWSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657687 373370113 /nfs/dbraw/zinc/37/01/13/373370113.db2.gz IUIVKPJGXWBSIO-ZWNOBZJWSA-N 1 2 266.297 1.349 20 5 CDBDLO CO[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276830645 374752157 /nfs/dbraw/zinc/75/21/57/374752157.db2.gz GNSRNRUCTBEWTG-AOOOYVTPSA-N 1 2 272.326 1.502 20 5 CDBDLO CO[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276830645 374752162 /nfs/dbraw/zinc/75/21/62/374752162.db2.gz GNSRNRUCTBEWTG-AOOOYVTPSA-N 1 2 272.326 1.502 20 5 CDBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000282327330 375078806 /nfs/dbraw/zinc/07/88/06/375078806.db2.gz UQRRQXGUASWBBI-GFCCVEGCSA-N 1 2 284.337 1.214 20 5 CDBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000282327330 375078812 /nfs/dbraw/zinc/07/88/12/375078812.db2.gz UQRRQXGUASWBBI-GFCCVEGCSA-N 1 2 284.337 1.214 20 5 CDBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282500660 375090698 /nfs/dbraw/zinc/09/06/98/375090698.db2.gz WQFUZJAOLXMTHG-SECBINFHSA-N 1 2 269.326 1.367 20 5 CDBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282500660 375090702 /nfs/dbraw/zinc/09/07/02/375090702.db2.gz WQFUZJAOLXMTHG-SECBINFHSA-N 1 2 269.326 1.367 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c[nH+]cn1C ZINC000350550350 375211357 /nfs/dbraw/zinc/21/13/57/375211357.db2.gz CSSHCAYWBFDQNL-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ncnn1C ZINC000353232748 375589872 /nfs/dbraw/zinc/58/98/72/375589872.db2.gz LRWLEFFPCSALMK-MRVPVSSYSA-N 1 2 279.275 1.713 20 5 CDBDLO Cc1c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000163797355 375784780 /nfs/dbraw/zinc/78/47/80/375784780.db2.gz GUVFNBXZFBAZQV-ZDUSSCGKSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1c(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000163797355 375784785 /nfs/dbraw/zinc/78/47/85/375784785.db2.gz GUVFNBXZFBAZQV-ZDUSSCGKSA-N 1 2 294.351 1.875 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355243938 375784983 /nfs/dbraw/zinc/78/49/83/375784983.db2.gz TVOIUQGSBIXCBI-UHFFFAOYSA-N 1 2 299.290 1.772 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000172922052 377789491 /nfs/dbraw/zinc/78/94/91/377789491.db2.gz WOUGQTOPOIGSQE-UHFFFAOYSA-N 1 2 288.307 1.920 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295813691 391149744 /nfs/dbraw/zinc/14/97/44/391149744.db2.gz XFLYVCQKBMCEFQ-UHFFFAOYSA-N 1 2 296.283 1.199 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295813691 391149747 /nfs/dbraw/zinc/14/97/47/391149747.db2.gz XFLYVCQKBMCEFQ-UHFFFAOYSA-N 1 2 296.283 1.199 20 5 CDBDLO COC(=O)c1cc(OCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000439547026 391700461 /nfs/dbraw/zinc/70/04/61/391700461.db2.gz GSAAWXFDEUFBQE-UHFFFAOYSA-N 1 2 291.263 1.694 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(N)=O ZINC000191705474 130281215 /nfs/dbraw/zinc/28/12/15/130281215.db2.gz LCDSNTXEJBIUKZ-UHFFFAOYSA-N 1 2 281.312 1.301 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(N)=O ZINC000191705474 130281216 /nfs/dbraw/zinc/28/12/16/130281216.db2.gz LCDSNTXEJBIUKZ-UHFFFAOYSA-N 1 2 281.312 1.301 20 5 CDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC3OCCO3)CC2)c1 ZINC000271999420 135100575 /nfs/dbraw/zinc/10/05/75/135100575.db2.gz AARGZJQJDPHSSX-UHFFFAOYSA-N 1 2 293.323 1.090 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000096475294 147114222 /nfs/dbraw/zinc/11/42/22/147114222.db2.gz HKULFBQJPIHZIY-UHFFFAOYSA-N 1 2 278.243 1.729 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)[NH2+]1 ZINC000262263551 149042693 /nfs/dbraw/zinc/04/26/93/149042693.db2.gz USIFHRDJLIUOIR-DTORHVGOSA-N 1 2 279.296 1.123 20 5 CDBDLO Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000352561823 155272402 /nfs/dbraw/zinc/27/24/02/155272402.db2.gz HTHVURJWQPDYQA-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000352561823 155272403 /nfs/dbraw/zinc/27/24/03/155272403.db2.gz HTHVURJWQPDYQA-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000353761309 156066123 /nfs/dbraw/zinc/06/61/23/156066123.db2.gz SNXQZMVKPAQMEB-UHFFFAOYSA-N 1 2 285.263 1.501 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285281790 196240296 /nfs/dbraw/zinc/24/02/96/196240296.db2.gz JNOSFTZHEPBEER-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285281790 196240297 /nfs/dbraw/zinc/24/02/97/196240297.db2.gz JNOSFTZHEPBEER-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO CNc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000078739741 177379930 /nfs/dbraw/zinc/37/99/30/177379930.db2.gz BSTFXZMCYVINMN-UHFFFAOYSA-N 1 2 275.268 1.290 20 5 CDBDLO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186384625 289195070 /nfs/dbraw/zinc/19/50/70/289195070.db2.gz XJUXMPBEHGZNAN-JTQLQIEISA-N 1 2 293.323 1.324 20 5 CDBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1C[NH3+] ZINC000424008748 299958181 /nfs/dbraw/zinc/95/81/81/299958181.db2.gz WGBPIUAKVDVJAQ-GXSJLCMTSA-N 1 2 293.323 1.357 20 5 CDBDLO CC(=O)N1CC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000566481094 316610702 /nfs/dbraw/zinc/61/07/02/316610702.db2.gz FMCZIVBAMRUEFW-UHFFFAOYSA-N 1 2 286.291 1.786 20 5 CDBDLO COC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727251 523146043 /nfs/dbraw/zinc/14/60/43/523146043.db2.gz UECWFIXWRNSECB-UHFFFAOYSA-N 1 2 252.270 1.242 20 5 CDBDLO COC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727251 523146049 /nfs/dbraw/zinc/14/60/49/523146049.db2.gz UECWFIXWRNSECB-UHFFFAOYSA-N 1 2 252.270 1.242 20 5 CDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000010237262 523592803 /nfs/dbraw/zinc/59/28/03/523592803.db2.gz FJFOLBWOVDGWSP-UHFFFAOYSA-N 1 2 274.280 1.601 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000049235959 524963939 /nfs/dbraw/zinc/96/39/39/524963939.db2.gz JXZSUVKFYBLRPV-QMMMGPOBSA-N 1 2 288.267 1.828 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000771940220 575639908 /nfs/dbraw/zinc/63/99/08/575639908.db2.gz YZUVTISZUFOTMP-UHFFFAOYSA-N 1 2 297.217 1.927 20 5 CDBDLO COCC1C[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895969532 619927862 /nfs/dbraw/zinc/92/78/62/619927862.db2.gz GTBFBGRAZCLEHR-UHFFFAOYSA-N 1 2 282.296 1.387 20 5 CDBDLO [NH3+]CCCSCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001580301025 1172397522 /nfs/dbraw/zinc/39/75/22/1172397522.db2.gz LZRKLWZBYYROPJ-UHFFFAOYSA-N 1 2 299.352 1.711 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001580760950 1172534464 /nfs/dbraw/zinc/53/44/64/1172534464.db2.gz BXBXARILNXCFDF-OQPBUACISA-N 1 2 277.280 1.381 20 5 CDBDLO C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCC1 ZINC000794630932 1164529633 /nfs/dbraw/zinc/52/96/33/1164529633.db2.gz BBTQBGCIKAPLPY-UHFFFAOYSA-N 1 2 277.280 1.945 20 5 CDBDLO C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCC1 ZINC000794630932 1164529637 /nfs/dbraw/zinc/52/96/37/1164529637.db2.gz BBTQBGCIKAPLPY-UHFFFAOYSA-N 1 2 277.280 1.945 20 5 CDBDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791051453 752173353 /nfs/dbraw/zinc/17/33/53/752173353.db2.gz DPNIVQVRPOTHMC-UHFFFAOYSA-N 1 2 295.314 1.250 20 5 CDBDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791051453 752173354 /nfs/dbraw/zinc/17/33/54/752173354.db2.gz DPNIVQVRPOTHMC-UHFFFAOYSA-N 1 2 295.314 1.250 20 5 CDBDLO O=[N+]([O-])CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000791053283 749627482 /nfs/dbraw/zinc/62/74/82/749627482.db2.gz KMSREVCSDFQYED-UHFFFAOYSA-N 1 2 283.759 1.734 20 5 CDBDLO COC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779864974 750002124 /nfs/dbraw/zinc/00/21/24/750002124.db2.gz IHYIIEYMTFZWHW-JTQLQIEISA-N 1 2 254.290 1.168 20 5 CDBDLO COC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779864974 750002128 /nfs/dbraw/zinc/00/21/28/750002128.db2.gz IHYIIEYMTFZWHW-JTQLQIEISA-N 1 2 254.290 1.168 20 5 CDBDLO COC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000112961930 750211133 /nfs/dbraw/zinc/21/11/33/750211133.db2.gz YSNKFYJRRMQSEL-SNVBAGLBSA-N 1 2 254.290 1.107 20 5 CDBDLO COC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000112961930 750211154 /nfs/dbraw/zinc/21/11/54/750211154.db2.gz YSNKFYJRRMQSEL-SNVBAGLBSA-N 1 2 254.290 1.107 20 5 CDBDLO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733117 750225616 /nfs/dbraw/zinc/22/56/16/750225616.db2.gz HTQAQYSONBIJEC-DGCLKSJQSA-N 1 2 277.324 1.394 20 5 CDBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176607 752691861 /nfs/dbraw/zinc/69/18/61/752691861.db2.gz HFEAEKPTNSLRQW-GFCCVEGCSA-N 1 2 294.355 1.142 20 5 CDBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176607 752691864 /nfs/dbraw/zinc/69/18/64/752691864.db2.gz HFEAEKPTNSLRQW-GFCCVEGCSA-N 1 2 294.355 1.142 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886176607 752691868 /nfs/dbraw/zinc/69/18/68/752691868.db2.gz HFEAEKPTNSLRQW-GFCCVEGCSA-N 1 2 294.355 1.142 20 5 CDBDLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025636936 752980284 /nfs/dbraw/zinc/98/02/84/752980284.db2.gz JBESHTKXMSVGMB-IWIIMEHWSA-N 1 2 295.364 1.613 20 5 CDBDLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025636936 752980297 /nfs/dbraw/zinc/98/02/97/752980297.db2.gz JBESHTKXMSVGMB-IWIIMEHWSA-N 1 2 295.364 1.613 20 5 CDBDLO Nc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802236602 753743529 /nfs/dbraw/zinc/74/35/29/753743529.db2.gz MYAAVPPBCDVORL-JTQLQIEISA-N 1 2 297.286 1.378 20 5 CDBDLO Nc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802236602 753743539 /nfs/dbraw/zinc/74/35/39/753743539.db2.gz MYAAVPPBCDVORL-JTQLQIEISA-N 1 2 297.286 1.378 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C#N)CC1 ZINC001173238427 912365749 /nfs/dbraw/zinc/36/57/49/912365749.db2.gz SFDMZOSAWOFUOA-LBPRGKRZSA-N 1 2 274.324 1.624 20 5 CDBDLO Cc1nnc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC001120556333 912098594 /nfs/dbraw/zinc/09/85/94/912098594.db2.gz WFMOWEYLKINEHQ-UFBFGSQYSA-N 1 2 292.295 1.670 20 5 CDBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000839798324 936926201 /nfs/dbraw/zinc/92/62/01/936926201.db2.gz SYELYVNGGYTCEQ-CHWSQXEVSA-N 1 2 277.324 1.660 20 5 CDBDLO COC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779860152 934755030 /nfs/dbraw/zinc/75/50/30/934755030.db2.gz RVGGUYJAVMKWKZ-UHFFFAOYSA-N 1 2 254.290 1.168 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[NH2+]CC(F)(F)C2)c(F)c1 ZINC001164493501 939478755 /nfs/dbraw/zinc/47/87/55/939478755.db2.gz ZJEVIUKJGFZZDY-UHFFFAOYSA-N 1 2 276.218 1.174 20 5 CDBDLO COc1ccc(COC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001223513412 941683557 /nfs/dbraw/zinc/68/35/57/941683557.db2.gz AVKJZXWQEYZKME-UHFFFAOYSA-N 1 2 252.270 1.434 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225385461 941851265 /nfs/dbraw/zinc/85/12/65/941851265.db2.gz SJPLJVWKJPJXRC-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225385461 941851271 /nfs/dbraw/zinc/85/12/71/941851271.db2.gz SJPLJVWKJPJXRC-JTQLQIEISA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258540 941977806 /nfs/dbraw/zinc/97/78/06/941977806.db2.gz OOSDCOAAKVKWGU-VIFPVBQESA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258540 941977809 /nfs/dbraw/zinc/97/78/09/941977809.db2.gz OOSDCOAAKVKWGU-VIFPVBQESA-N 1 2 287.703 1.353 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccnc([N+](=O)[O-])c1 ZINC001233856316 943674444 /nfs/dbraw/zinc/67/44/44/943674444.db2.gz BCMKIPVEPBLLJE-SNVBAGLBSA-N 1 2 267.285 1.089 20 5 CDBDLO Cc1nccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001234899833 943968192 /nfs/dbraw/zinc/96/81/92/943968192.db2.gz GTTZTMWTTPLFKK-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1nccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001234899833 943968196 /nfs/dbraw/zinc/96/81/96/943968196.db2.gz GTTZTMWTTPLFKK-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO COC[C@@H]1COCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254568461 947529880 /nfs/dbraw/zinc/52/98/80/947529880.db2.gz ZUADDYREGXRVEU-TZMCWYRMSA-N 1 2 294.351 1.873 20 5 CDBDLO COC[C@@H]1COCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254568461 947529889 /nfs/dbraw/zinc/52/98/89/947529889.db2.gz ZUADDYREGXRVEU-TZMCWYRMSA-N 1 2 294.351 1.873 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001334762660 959333655 /nfs/dbraw/zinc/33/36/55/959333655.db2.gz HAMNTPXMBDZXRK-UHFFFAOYSA-N 1 2 261.228 1.092 20 5 CDBDLO C[N@H+](CCCF)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001349957703 966541763 /nfs/dbraw/zinc/54/17/63/966541763.db2.gz DQXFDLQKHKWITO-UHFFFAOYSA-N 1 2 283.259 1.752 20 5 CDBDLO C[N@@H+](CCCF)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001349957703 966541766 /nfs/dbraw/zinc/54/17/66/966541766.db2.gz DQXFDLQKHKWITO-UHFFFAOYSA-N 1 2 283.259 1.752 20 5 CDBDLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267755323 361745568 /nfs/dbraw/zinc/74/55/68/361745568.db2.gz DZQBIHXGMTZDFT-MNOVXSKESA-N 1 2 293.323 1.643 20 5 CDBDLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267755323 361745572 /nfs/dbraw/zinc/74/55/72/361745572.db2.gz DZQBIHXGMTZDFT-MNOVXSKESA-N 1 2 293.323 1.643 20 5 CDBDLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000235420966 342050219 /nfs/dbraw/zinc/05/02/19/342050219.db2.gz ZNRGLIMIEJUVLD-JTQLQIEISA-N 1 2 288.307 1.780 20 5 CDBDLO C[C@H](NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600707965 342243339 /nfs/dbraw/zinc/24/33/39/342243339.db2.gz CERFVIVJSCTBHU-CMPLNLGQSA-N 1 2 265.313 1.234 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCSC[C@H]1CO ZINC000595405573 343050014 /nfs/dbraw/zinc/05/00/14/343050014.db2.gz YFDAUOFIGFEDFI-LLVKDONJSA-N 1 2 286.328 1.644 20 5 CDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC[C@H]1CO ZINC000595405573 343050015 /nfs/dbraw/zinc/05/00/15/343050015.db2.gz YFDAUOFIGFEDFI-LLVKDONJSA-N 1 2 286.328 1.644 20 5 CDBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCn2c[nH+]cc2C1 ZINC000596239139 343283804 /nfs/dbraw/zinc/28/38/04/343283804.db2.gz XSZDDSJXXWAEDP-UHFFFAOYSA-N 1 2 279.687 1.860 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ncccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434916 343320754 /nfs/dbraw/zinc/32/07/54/343320754.db2.gz YVJMQVHLGZFNAG-WDEREUQCSA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ncccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434916 343320755 /nfs/dbraw/zinc/32/07/55/343320755.db2.gz YVJMQVHLGZFNAG-WDEREUQCSA-N 1 2 280.328 1.511 20 5 CDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1[nH+]ccn1C ZINC000596486918 343328989 /nfs/dbraw/zinc/32/89/89/343328989.db2.gz BQGRIAQKLFQTGO-MRVPVSSYSA-N 1 2 277.284 1.158 20 5 CDBDLO Cc1[nH]nc(C(=O)Nc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000619566838 349805957 /nfs/dbraw/zinc/80/59/57/349805957.db2.gz YGLPNBIDBOEGKU-UHFFFAOYSA-N 1 2 286.251 1.526 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000611177105 346632102 /nfs/dbraw/zinc/63/21/02/346632102.db2.gz QXMXAQMFWXDGKS-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000611177105 346632103 /nfs/dbraw/zinc/63/21/03/346632103.db2.gz QXMXAQMFWXDGKS-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1sccc1[N+](=O)[O-] ZINC000611290038 346737396 /nfs/dbraw/zinc/73/73/96/346737396.db2.gz YFSCTUWVRZUWEZ-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611411001 346779337 /nfs/dbraw/zinc/77/93/37/346779337.db2.gz HLGCVQSYMKBHNO-LLVKDONJSA-N 1 2 297.380 1.957 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@H]3CO)nc2c1 ZINC000033559725 348698178 /nfs/dbraw/zinc/69/81/78/348698178.db2.gz WKTPVECOMULNPH-NSHDSACASA-N 1 2 290.323 1.818 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3CO)nc2c1 ZINC000033559725 348698182 /nfs/dbraw/zinc/69/81/82/348698182.db2.gz WKTPVECOMULNPH-NSHDSACASA-N 1 2 290.323 1.818 20 5 CDBDLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000061512499 348906325 /nfs/dbraw/zinc/90/63/25/348906325.db2.gz BDVAUYYEWBHADE-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000092027467 180309735 /nfs/dbraw/zinc/30/97/35/180309735.db2.gz SLWAAOYBKVXFES-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000092027467 180309736 /nfs/dbraw/zinc/30/97/36/180309736.db2.gz SLWAAOYBKVXFES-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000123331590 187085703 /nfs/dbraw/zinc/08/57/03/187085703.db2.gz JVVQHDWRZITXFV-ZWNOBZJWSA-N 1 2 294.307 1.357 20 5 CDBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000123331590 187085704 /nfs/dbraw/zinc/08/57/04/187085704.db2.gz JVVQHDWRZITXFV-ZWNOBZJWSA-N 1 2 294.307 1.357 20 5 CDBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152318049 363260400 /nfs/dbraw/zinc/26/04/00/363260400.db2.gz XTAVPPOTBWEZES-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152318049 363260405 /nfs/dbraw/zinc/26/04/05/363260405.db2.gz XTAVPPOTBWEZES-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286084371 356214854 /nfs/dbraw/zinc/21/48/54/356214854.db2.gz MUJQMJWDJZSBQR-VYUIOLGVSA-N 1 2 293.323 1.417 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175874980 357511475 /nfs/dbraw/zinc/51/14/75/357511475.db2.gz FNLYVPOVHIMRHS-GXFFZTMASA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175874980 357511482 /nfs/dbraw/zinc/51/14/82/357511482.db2.gz FNLYVPOVHIMRHS-GXFFZTMASA-N 1 2 290.323 1.365 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](O)C2)c(F)c1 ZINC000284146941 357643990 /nfs/dbraw/zinc/64/39/90/357643990.db2.gz QJCRLKQCFGXMHG-VIFPVBQESA-N 1 2 272.251 1.830 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](O)C2)c(F)c1 ZINC000284146941 357643995 /nfs/dbraw/zinc/64/39/95/357643995.db2.gz QJCRLKQCFGXMHG-VIFPVBQESA-N 1 2 272.251 1.830 20 5 CDBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000361372505 358171457 /nfs/dbraw/zinc/17/14/57/358171457.db2.gz OIUNNFRAOBZBSR-GFCCVEGCSA-N 1 2 293.323 1.562 20 5 CDBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000361372505 358171460 /nfs/dbraw/zinc/17/14/60/358171460.db2.gz OIUNNFRAOBZBSR-GFCCVEGCSA-N 1 2 293.323 1.562 20 5 CDBDLO CN(CCC[NH+]1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000193469120 358295889 /nfs/dbraw/zinc/29/58/89/358295889.db2.gz LADOLTVCVODJPJ-UHFFFAOYSA-N 1 2 293.367 1.749 20 5 CDBDLO C[C@H]([NH2+]Cc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000287238345 358347066 /nfs/dbraw/zinc/34/70/66/358347066.db2.gz YQYQBYHUJSFBLP-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO CCOC(=O)CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338955410 359241036 /nfs/dbraw/zinc/24/10/36/359241036.db2.gz VTYWMLLQDLTQOD-UHFFFAOYSA-N 1 2 282.296 1.685 20 5 CDBDLO CCOC(=O)CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338955410 359241040 /nfs/dbraw/zinc/24/10/40/359241040.db2.gz VTYWMLLQDLTQOD-UHFFFAOYSA-N 1 2 282.296 1.685 20 5 CDBDLO CC(C)[C@@H](CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339084346 359285828 /nfs/dbraw/zinc/28/58/28/359285828.db2.gz UGFSJRDVTJLNPC-GFCCVEGCSA-N 1 2 268.313 1.797 20 5 CDBDLO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1=O ZINC000289569108 359618118 /nfs/dbraw/zinc/61/81/18/359618118.db2.gz OHRDREDKJZIBQK-ZDUSSCGKSA-N 1 2 264.281 1.433 20 5 CDBDLO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181964363 365059607 /nfs/dbraw/zinc/05/96/07/365059607.db2.gz ZNOUJMLZTBNEDK-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181964363 365059609 /nfs/dbraw/zinc/05/96/09/365059609.db2.gz ZNOUJMLZTBNEDK-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO COCC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044398432 373626653 /nfs/dbraw/zinc/62/66/53/373626653.db2.gz BJVCDMOLWHLRJW-UHFFFAOYSA-N 1 2 299.352 1.061 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000274712357 374680460 /nfs/dbraw/zinc/68/04/60/374680460.db2.gz YIIMIVGJBMVDOP-VIFPVBQESA-N 1 2 298.318 1.449 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277599777 374797649 /nfs/dbraw/zinc/79/76/49/374797649.db2.gz VNZYVHVAXTVLCC-WLRWDXFRSA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277599777 374797654 /nfs/dbraw/zinc/79/76/54/374797654.db2.gz VNZYVHVAXTVLCC-WLRWDXFRSA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C[NH+](C)C ZINC000293838893 375042521 /nfs/dbraw/zinc/04/25/21/375042521.db2.gz DJTQPKTUPZVEMQ-SECBINFHSA-N 1 2 281.312 1.228 20 5 CDBDLO COCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471824809 375056396 /nfs/dbraw/zinc/05/63/96/375056396.db2.gz IKWFZHJIASIDES-UHFFFAOYSA-N 1 2 295.339 1.485 20 5 CDBDLO CC(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000351254118 375281100 /nfs/dbraw/zinc/28/11/00/375281100.db2.gz PHPIYJOJGLSHMQ-CYBMUJFWSA-N 1 2 295.339 1.113 20 5 CDBDLO CC(C)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000351254118 375281106 /nfs/dbraw/zinc/28/11/06/375281106.db2.gz PHPIYJOJGLSHMQ-CYBMUJFWSA-N 1 2 295.339 1.113 20 5 CDBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000025673526 375336946 /nfs/dbraw/zinc/33/69/46/375336946.db2.gz YLIMOZIVMDWTKD-UHFFFAOYSA-N 1 2 277.240 1.812 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493570245 375464565 /nfs/dbraw/zinc/46/45/65/375464565.db2.gz YHGKQBORXXUOAE-AATRIKPKSA-N 1 2 286.291 1.658 20 5 CDBDLO O=[N+]([O-])c1c[nH]c(-c2csc([C@H]3COCC[NH2+]3)n2)c1 ZINC000446155535 250274014 /nfs/dbraw/zinc/27/40/14/250274014.db2.gz FJQRRTHQHDITSZ-SECBINFHSA-N 1 2 280.309 1.707 20 5 CDBDLO COC1(CO)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000447087121 250339030 /nfs/dbraw/zinc/33/90/30/250339030.db2.gz NWTZUZLYCBZDIY-UHFFFAOYSA-N 1 2 286.353 1.630 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000267026308 379387079 /nfs/dbraw/zinc/38/70/79/379387079.db2.gz LKYSJAUZBVCTJM-LBPRGKRZSA-N 1 2 281.287 1.396 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000267026308 379387088 /nfs/dbraw/zinc/38/70/88/379387088.db2.gz LKYSJAUZBVCTJM-LBPRGKRZSA-N 1 2 281.287 1.396 20 5 CDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000491883405 253112178 /nfs/dbraw/zinc/11/21/78/253112178.db2.gz GXWGIWBZDHYELX-PLNGDYQASA-N 1 2 298.302 1.888 20 5 CDBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[NH2+]1 ZINC000187655980 390893039 /nfs/dbraw/zinc/89/30/39/390893039.db2.gz DSVNLQFCCDKYGK-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](CO)C3)c2c1 ZINC000413155383 391166387 /nfs/dbraw/zinc/16/63/87/391166387.db2.gz PIZAZRLBXFYDHP-SNVBAGLBSA-N 1 2 273.292 1.962 20 5 CDBDLO C[C@H](O)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413294336 391192046 /nfs/dbraw/zinc/19/20/46/391192046.db2.gz BAIANKMNAKZDJO-VIFPVBQESA-N 1 2 261.281 1.960 20 5 CDBDLO COCCO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000189736630 391795584 /nfs/dbraw/zinc/79/55/84/391795584.db2.gz WWYQBDQWTLAHOF-LLVKDONJSA-N 1 2 298.314 1.971 20 5 CDBDLO COCCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000189736630 391795589 /nfs/dbraw/zinc/79/55/89/391795589.db2.gz WWYQBDQWTLAHOF-LLVKDONJSA-N 1 2 298.314 1.971 20 5 CDBDLO COc1cc(NCc2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000213841698 130754929 /nfs/dbraw/zinc/75/49/29/130754929.db2.gz LAEXXWKVKNFETH-UHFFFAOYSA-N 1 2 292.295 1.958 20 5 CDBDLO O=c1ccn(Cc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000130901638 392800982 /nfs/dbraw/zinc/80/09/82/392800982.db2.gz SBZJXTHZUXCPMS-UHFFFAOYSA-N 1 2 270.248 1.681 20 5 CDBDLO C[N@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000530623312 393053451 /nfs/dbraw/zinc/05/34/51/393053451.db2.gz 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263.297 1.305 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445270 280209481 /nfs/dbraw/zinc/20/94/81/280209481.db2.gz KFQXGRVTFLNZQR-VHSXEESVSA-N 1 2 294.311 1.038 20 5 CDBDLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445270 280209484 /nfs/dbraw/zinc/20/94/84/280209484.db2.gz KFQXGRVTFLNZQR-VHSXEESVSA-N 1 2 294.311 1.038 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1N1CC(n2cc[nH+]c2)C1 ZINC000553108662 290095429 /nfs/dbraw/zinc/09/54/29/290095429.db2.gz RMNHJDKBIXEIIN-UHFFFAOYSA-N 1 2 262.244 1.992 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000562237047 293119509 /nfs/dbraw/zinc/11/95/09/293119509.db2.gz SLGOYYRTIUJYTK-UHFFFAOYSA-N 1 2 298.280 1.127 20 5 CDBDLO CCc1n[nH]c(C(=O)NCc2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000576412957 317135822 /nfs/dbraw/zinc/13/58/22/317135822.db2.gz WFIYJTGYGFHPFS-UHFFFAOYSA-N 1 2 292.299 1.027 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[NH2+]1 ZINC000236582528 527131167 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COc1nc(C)nc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167613820 897033741 /nfs/dbraw/zinc/03/37/41/897033741.db2.gz MWCQTUXRHZEWOL-UHFFFAOYSA-N 1 2 290.283 1.291 20 5 CDBDLO O=C1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169013999 927620127 /nfs/dbraw/zinc/62/01/27/927620127.db2.gz XMWIGYDWKIIWSD-GMTAPVOTSA-N 1 2 258.293 1.435 20 5 CDBDLO O=C1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169013999 927620133 /nfs/dbraw/zinc/62/01/33/927620133.db2.gz XMWIGYDWKIIWSD-GMTAPVOTSA-N 1 2 258.293 1.435 20 5 CDBDLO Cc1ccc(N2CC[NH+](CC[N+](=O)[O-])CC2)cc1C ZINC000930106585 933317830 /nfs/dbraw/zinc/31/78/30/933317830.db2.gz SERUVEHPUJELSV-UHFFFAOYSA-N 1 2 263.341 1.702 20 5 CDBDLO Nc1cc(CNc2ncc([N+](=O)[O-])cc2N)cc[nH+]1 ZINC001156761363 938415544 /nfs/dbraw/zinc/41/55/44/938415544.db2.gz SPCUNZHVJZUPJB-UHFFFAOYSA-N 1 2 260.257 1.161 20 5 CDBDLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)c(N)c1[N+](=O)[O-] ZINC001158232473 938598248 /nfs/dbraw/zinc/59/82/48/938598248.db2.gz WJTQSVAWFHQGJT-UHFFFAOYSA-N 1 2 289.295 1.780 20 5 CDBDLO Cc1c(C)c(Nc2nccnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160245370 938776321 /nfs/dbraw/zinc/77/63/21/938776321.db2.gz BEEPFZKLPOQUBH-UHFFFAOYSA-N 1 2 274.284 1.599 20 5 CDBDLO CC[NH+]1CC(OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223688816 941691145 /nfs/dbraw/zinc/69/11/45/941691145.db2.gz QCSYVVRSBDGSEN-UHFFFAOYSA-N 1 2 294.307 1.602 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001227185576 942146215 /nfs/dbraw/zinc/14/62/15/942146215.db2.gz UVVIIPPTYMBBCF-LLVKDONJSA-N 1 2 296.323 1.703 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396747 942464927 /nfs/dbraw/zinc/46/49/27/942464927.db2.gz YPVUZZGQAWDXFW-JTQLQIEISA-N 1 2 268.269 1.010 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396747 942464929 /nfs/dbraw/zinc/46/49/29/942464929.db2.gz YPVUZZGQAWDXFW-JTQLQIEISA-N 1 2 268.269 1.010 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c(C)cncc1[N+](=O)[O-] ZINC001262373478 946621452 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C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000589206291 342501126 /nfs/dbraw/zinc/50/11/26/342501126.db2.gz RZDZKZDJJTUATE-SECBINFHSA-N 1 2 279.296 1.011 20 5 CDBDLO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000609192739 342093374 /nfs/dbraw/zinc/09/33/74/342093374.db2.gz IYAODLFCCQPRNN-GHMZBOCLSA-N 1 2 280.328 1.511 20 5 CDBDLO CC[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000616487721 342110965 /nfs/dbraw/zinc/11/09/65/342110965.db2.gz QIRJRJBPECPZJW-CYBMUJFWSA-N 1 2 266.297 1.959 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299374444 361987142 /nfs/dbraw/zinc/98/71/42/361987142.db2.gz WXDLVMOADLUQAG-LLVKDONJSA-N 1 2 288.307 1.918 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCOC[C@@H]1C ZINC000619479985 349741456 /nfs/dbraw/zinc/74/14/56/349741456.db2.gz YDXGIWJXVTWEIQ-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCOC[C@@H]1C ZINC000619479985 349741458 /nfs/dbraw/zinc/74/14/58/349741458.db2.gz YDXGIWJXVTWEIQ-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO Cc1noc(C[N@H+](C)C[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000595295129 343026426 /nfs/dbraw/zinc/02/64/26/343026426.db2.gz GLXMDEVUQWQURP-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO Cc1noc(C[N@@H+](C)C[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000595295129 343026428 /nfs/dbraw/zinc/02/64/28/343026428.db2.gz GLXMDEVUQWQURP-JTQLQIEISA-N 1 2 269.301 1.892 20 5 CDBDLO Cc1cnc(N[C@@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078660579 342339407 /nfs/dbraw/zinc/33/94/07/342339407.db2.gz CLBAOYGTPFYSQB-LBPRGKRZSA-N 1 2 293.371 1.346 20 5 CDBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)c[nH+]1 ZINC000535035155 282227939 /nfs/dbraw/zinc/22/79/39/282227939.db2.gz YXECZFWRDNCZKG-UHFFFAOYSA-N 1 2 274.280 1.619 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413127 346780166 /nfs/dbraw/zinc/78/01/66/346780166.db2.gz VDFCSZLQRYHCFJ-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413127 346780168 /nfs/dbraw/zinc/78/01/68/346780168.db2.gz VDFCSZLQRYHCFJ-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000027539343 348663812 /nfs/dbraw/zinc/66/38/12/348663812.db2.gz ZUVJXLNYOVTCIE-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000027539343 348663814 /nfs/dbraw/zinc/66/38/14/348663814.db2.gz ZUVJXLNYOVTCIE-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250153 356303614 /nfs/dbraw/zinc/30/36/14/356303614.db2.gz QQZHLBSSPAIWEQ-WDEREUQCSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000578250153 356303615 /nfs/dbraw/zinc/30/36/15/356303615.db2.gz QQZHLBSSPAIWEQ-WDEREUQCSA-N 1 2 280.324 1.893 20 5 CDBDLO COc1cc(N2CCn3c[nH+]cc3C2)c(F)cc1[N+](=O)[O-] ZINC000290660867 357252633 /nfs/dbraw/zinc/25/26/33/357252633.db2.gz JNTGEVRNNQORFU-UHFFFAOYSA-N 1 2 292.270 1.959 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000119154922 357320191 /nfs/dbraw/zinc/32/01/91/357320191.db2.gz CHUCVONUQWMPKH-UHFFFAOYSA-N 1 2 275.268 1.948 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264478873 357334405 /nfs/dbraw/zinc/33/44/05/357334405.db2.gz PRDWXJUYEBQZAI-RYUDHWBXSA-N 1 2 294.355 1.819 20 5 CDBDLO CC[N@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000188459284 357899391 /nfs/dbraw/zinc/89/93/91/357899391.db2.gz JCTNVJWEGMPQSF-UHFFFAOYSA-N 1 2 271.704 1.555 20 5 CDBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000188459284 357899392 /nfs/dbraw/zinc/89/93/92/357899392.db2.gz JCTNVJWEGMPQSF-UHFFFAOYSA-N 1 2 271.704 1.555 20 5 CDBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000361371091 358171415 /nfs/dbraw/zinc/17/14/15/358171415.db2.gz DZQBIHXGMTZDFT-WDEREUQCSA-N 1 2 293.323 1.643 20 5 CDBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000361371091 358171418 /nfs/dbraw/zinc/17/14/18/358171418.db2.gz DZQBIHXGMTZDFT-WDEREUQCSA-N 1 2 293.323 1.643 20 5 CDBDLO CCn1cc[nH+]c1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000294913947 199244687 /nfs/dbraw/zinc/24/46/87/199244687.db2.gz GABBJPAXVFBNEJ-UHFFFAOYSA-N 1 2 278.316 1.948 20 5 CDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000291269747 358906765 /nfs/dbraw/zinc/90/67/65/358906765.db2.gz ZSOJHNIHIUFUQF-VXGBXAGGSA-N 1 2 292.339 1.289 20 5 CDBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339138760 359300002 /nfs/dbraw/zinc/30/00/02/359300002.db2.gz NTAJOYIYJKBOCS-LBPRGKRZSA-N 1 2 266.297 1.503 20 5 CDBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339138760 359300004 /nfs/dbraw/zinc/30/00/04/359300004.db2.gz NTAJOYIYJKBOCS-LBPRGKRZSA-N 1 2 266.297 1.503 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000339741962 359432471 /nfs/dbraw/zinc/43/24/71/359432471.db2.gz FTDDBCNHDXGDOF-UHFFFAOYSA-N 1 2 275.264 1.517 20 5 CDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000339468971 359404781 /nfs/dbraw/zinc/40/47/81/359404781.db2.gz TUFZGLJBKLONDZ-VIFPVBQESA-N 1 2 289.295 1.286 20 5 CDBDLO CC[C@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000347973146 359997689 /nfs/dbraw/zinc/99/76/89/359997689.db2.gz UBRPMMPQXCGHSS-ZETCQYMHSA-N 1 2 278.272 1.231 20 5 CDBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000276623685 193405648 /nfs/dbraw/zinc/40/56/48/193405648.db2.gz FJORBAMNVXXUEZ-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000273157133 373707461 /nfs/dbraw/zinc/70/74/61/373707461.db2.gz MYSDJQWJOVGVGG-LBPRGKRZSA-N 1 2 296.298 1.894 20 5 CDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000273157133 373707467 /nfs/dbraw/zinc/70/74/67/373707467.db2.gz MYSDJQWJOVGVGG-LBPRGKRZSA-N 1 2 296.298 1.894 20 5 CDBDLO C[N@H+](CCOCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000311690097 374263612 /nfs/dbraw/zinc/26/36/12/374263612.db2.gz FJHKJKVZKPMUKR-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO C[N@@H+](CCOCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000311690097 374263618 /nfs/dbraw/zinc/26/36/18/374263618.db2.gz FJHKJKVZKPMUKR-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066127115 374301782 /nfs/dbraw/zinc/30/17/82/374301782.db2.gz JVNKEVAJUHMMTG-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066127115 374301784 /nfs/dbraw/zinc/30/17/84/374301784.db2.gz JVNKEVAJUHMMTG-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368647513 374321927 /nfs/dbraw/zinc/32/19/27/374321927.db2.gz NPTXHMQWRVZJFE-LBPRGKRZSA-N 1 2 291.307 1.172 20 5 CDBDLO COC(=O)C1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000425374717 374436589 /nfs/dbraw/zinc/43/65/89/374436589.db2.gz QTQWAWZLKHHHMN-UHFFFAOYSA-N 1 2 282.271 1.729 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000277717501 374806066 /nfs/dbraw/zinc/80/60/66/374806066.db2.gz AOGMDQKJBDQWRG-NSHDSACASA-N 1 2 288.307 1.918 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277173161 374776854 /nfs/dbraw/zinc/77/68/54/374776854.db2.gz KTWWHHXUVJVSGP-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277173161 374776860 /nfs/dbraw/zinc/77/68/60/374776860.db2.gz KTWWHHXUVJVSGP-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330448907 374852798 /nfs/dbraw/zinc/85/27/98/374852798.db2.gz HLGXNHMRXXNWDV-CYBMUJFWSA-N 1 2 266.297 1.647 20 5 CDBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330448907 374852806 /nfs/dbraw/zinc/85/28/06/374852806.db2.gz HLGXNHMRXXNWDV-CYBMUJFWSA-N 1 2 266.297 1.647 20 5 CDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000493251380 375430342 /nfs/dbraw/zinc/43/03/42/375430342.db2.gz IVOFHBMWEBDHKK-WAYWQWQTSA-N 1 2 298.302 1.847 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000353128345 375579524 /nfs/dbraw/zinc/57/95/24/375579524.db2.gz NWLDDBNQDWGNIB-UHFFFAOYSA-N 1 2 278.243 1.695 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355154313 375779654 /nfs/dbraw/zinc/77/96/54/375779654.db2.gz BBQFXTXTJXJMFC-LJXYTEIVSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355154313 375779660 /nfs/dbraw/zinc/77/96/60/375779660.db2.gz BBQFXTXTJXJMFC-LJXYTEIVSA-N 1 2 292.335 1.690 20 5 CDBDLO COc1cc(C(=O)Nc2cc[nH+]cc2O)ccc1[N+](=O)[O-] ZINC000358323391 375960389 /nfs/dbraw/zinc/96/03/89/375960389.db2.gz AZNMWUMHFVGMNT-UHFFFAOYSA-N 1 2 289.247 1.378 20 5 CDBDLO CCc1nn(C)c(N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000139855176 375985188 /nfs/dbraw/zinc/98/51/88/375985188.db2.gz WLTOZGQSQMLLGW-SSDOTTSWSA-N 1 2 264.289 1.787 20 5 CDBDLO COC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000172892263 377788654 /nfs/dbraw/zinc/78/86/54/377788654.db2.gz KXUHBTPXSIXVOY-CQSZACIVSA-N 1 2 296.323 1.321 20 5 CDBDLO COC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000172892263 377788660 /nfs/dbraw/zinc/78/86/60/377788660.db2.gz KXUHBTPXSIXVOY-CQSZACIVSA-N 1 2 296.323 1.321 20 5 CDBDLO Cc1cccc(NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000278821685 194169076 /nfs/dbraw/zinc/16/90/76/194169076.db2.gz TYIPATVBUJHCFQ-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1cccc(NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000278821685 194169078 /nfs/dbraw/zinc/16/90/78/194169078.db2.gz TYIPATVBUJHCFQ-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000174830385 379587584 /nfs/dbraw/zinc/58/75/84/379587584.db2.gz VCBQHMBUZBEVIF-LLVKDONJSA-N 1 2 290.327 1.394 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000174830385 379587588 /nfs/dbraw/zinc/58/75/88/379587588.db2.gz VCBQHMBUZBEVIF-LLVKDONJSA-N 1 2 290.327 1.394 20 5 CDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCn2cc[nH+]c2C1 ZINC000491863930 253106888 /nfs/dbraw/zinc/10/68/88/253106888.db2.gz FJTPBXDXGLHILF-SNAWJCMRSA-N 1 2 298.302 1.847 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000364036184 285125615 /nfs/dbraw/zinc/12/56/15/285125615.db2.gz IYPMVDJJXIPCDR-LBPRGKRZSA-N 1 2 295.314 1.645 20 5 CDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCNC1=O ZINC000281614703 195309831 /nfs/dbraw/zinc/30/98/31/195309831.db2.gz HCDZVCHBMIHTFI-GFCCVEGCSA-N 1 2 281.287 1.444 20 5 CDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCNC1=O ZINC000281614703 195309833 /nfs/dbraw/zinc/30/98/33/195309833.db2.gz HCDZVCHBMIHTFI-GFCCVEGCSA-N 1 2 281.287 1.444 20 5 CDBDLO COCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000048611207 390449791 /nfs/dbraw/zinc/44/97/91/390449791.db2.gz QEWKTGWJGHTTAY-UHFFFAOYSA-N 1 2 281.312 1.420 20 5 CDBDLO COCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000048611207 390449795 /nfs/dbraw/zinc/44/97/95/390449795.db2.gz QEWKTGWJGHTTAY-UHFFFAOYSA-N 1 2 281.312 1.420 20 5 CDBDLO COCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054354539 391830191 /nfs/dbraw/zinc/83/01/91/391830191.db2.gz HRZHAHJDIYYSKU-UHFFFAOYSA-N 1 2 297.311 1.120 20 5 CDBDLO COCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054354539 391830192 /nfs/dbraw/zinc/83/01/92/391830192.db2.gz HRZHAHJDIYYSKU-UHFFFAOYSA-N 1 2 297.311 1.120 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178183378 140000361 /nfs/dbraw/zinc/00/03/61/140000361.db2.gz KXRCSOBFXBAVBP-UHFFFAOYSA-N 1 2 288.263 1.833 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255060996 140334956 /nfs/dbraw/zinc/33/49/56/140334956.db2.gz QRRSADKPYAQDBE-VSKVDJIOSA-N 1 2 289.335 1.948 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255060996 140334958 /nfs/dbraw/zinc/33/49/58/140334958.db2.gz QRRSADKPYAQDBE-VSKVDJIOSA-N 1 2 289.335 1.948 20 5 CDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)[NH2+]1 ZINC000262263553 149042568 /nfs/dbraw/zinc/04/25/68/149042568.db2.gz USIFHRDJLIUOIR-IUCAKERBSA-N 1 2 279.296 1.123 20 5 CDBDLO Cn1cc[nH+]c1[C@H](Nc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000343260634 152088951 /nfs/dbraw/zinc/08/89/51/152088951.db2.gz CCFWKCUBQYAJCJ-SECBINFHSA-N 1 2 276.300 1.625 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000343283126 152100845 /nfs/dbraw/zinc/10/08/45/152100845.db2.gz ABYOYFZUXTUXAJ-UHFFFAOYSA-N 1 2 266.282 1.320 20 5 CDBDLO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000063735077 289067781 /nfs/dbraw/zinc/06/77/81/289067781.db2.gz KNGABZJTICHHLU-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO Nc1nc(SCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000576004029 317057871 /nfs/dbraw/zinc/05/78/71/317057871.db2.gz LGFCRVFPGKINTL-UHFFFAOYSA-N 1 2 280.313 1.176 20 5 CDBDLO CCn1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000355599809 523756659 /nfs/dbraw/zinc/75/66/59/523756659.db2.gz OICVBXHTXYUJLK-UHFFFAOYSA-N 1 2 279.275 1.635 20 5 CDBDLO COc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)cc1[N+](=O)[O-] ZINC000339242247 524067601 /nfs/dbraw/zinc/06/76/01/524067601.db2.gz SRTFMOGBMZTKGY-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])cn1 ZINC000150871473 527179604 /nfs/dbraw/zinc/17/96/04/527179604.db2.gz ALSHJLXKCNLHPX-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO Cc1cc(C(=O)OCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000747089164 576858537 /nfs/dbraw/zinc/85/85/37/576858537.db2.gz FJONYUTYCUGIMR-UHFFFAOYSA-N 1 2 294.307 1.392 20 5 CDBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000905262963 626712654 /nfs/dbraw/zinc/71/26/54/626712654.db2.gz RZEYEBPTMWGBSK-LLVKDONJSA-N 1 2 260.297 1.800 20 5 CDBDLO COc1ccc(C[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001170329530 1162338150 /nfs/dbraw/zinc/33/81/50/1162338150.db2.gz QPHLWOHWCHDVEE-LLVKDONJSA-N 1 2 280.324 1.867 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056594 1160367442 /nfs/dbraw/zinc/36/74/42/1160367442.db2.gz DDVYVTMMTJMYSF-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056594 1160367447 /nfs/dbraw/zinc/36/74/47/1160367447.db2.gz DDVYVTMMTJMYSF-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000793254260 758877818 /nfs/dbraw/zinc/87/78/18/758877818.db2.gz BZJYJFLUPSPOMB-UHFFFAOYSA-N 1 2 293.254 1.867 20 5 CDBDLO C[C@H]([NH2+]Cc1ncnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000178660504 769879271 /nfs/dbraw/zinc/87/92/71/769879271.db2.gz ZXSWMRMJGYZGDQ-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO O=C(c1ccccc1F)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929171106 770218492 /nfs/dbraw/zinc/21/84/92/770218492.db2.gz FCYQHZBRYAUYDZ-UHFFFAOYSA-N 1 2 295.314 1.250 20 5 CDBDLO O=C(c1ccccc1F)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929171106 770218554 /nfs/dbraw/zinc/21/85/54/770218554.db2.gz FCYQHZBRYAUYDZ-UHFFFAOYSA-N 1 2 295.314 1.250 20 5 CDBDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949974 770430873 /nfs/dbraw/zinc/43/08/73/770430873.db2.gz RCBWUKPFSGCUDS-CYBMUJFWSA-N 1 2 276.296 1.450 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000802014192 770807608 /nfs/dbraw/zinc/80/76/08/770807608.db2.gz JUDDLFGWBRGDSZ-CHWSQXEVSA-N 1 2 284.287 1.035 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000802014192 770807609 /nfs/dbraw/zinc/80/76/09/770807609.db2.gz JUDDLFGWBRGDSZ-CHWSQXEVSA-N 1 2 284.287 1.035 20 5 CDBDLO Cc1nn(C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000844717096 770884754 /nfs/dbraw/zinc/88/47/54/770884754.db2.gz OBQCSVLINXIZTM-GFCCVEGCSA-N 1 2 282.344 1.947 20 5 CDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000844717096 770884758 /nfs/dbraw/zinc/88/47/58/770884758.db2.gz OBQCSVLINXIZTM-GFCCVEGCSA-N 1 2 282.344 1.947 20 5 CDBDLO C[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794625861 771093695 /nfs/dbraw/zinc/09/36/95/771093695.db2.gz CLYDRJBMYVILMY-VIFPVBQESA-N 1 2 277.280 1.802 20 5 CDBDLO C[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794625861 771093701 /nfs/dbraw/zinc/09/37/01/771093701.db2.gz CLYDRJBMYVILMY-VIFPVBQESA-N 1 2 277.280 1.802 20 5 CDBDLO CCC[N@@H+](CC(=O)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577911 772573311 /nfs/dbraw/zinc/57/33/11/772573311.db2.gz ARPCLLXVUIRLNA-CYBMUJFWSA-N 1 2 296.323 1.513 20 5 CDBDLO CCC[N@H+](CC(=O)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577911 772573316 /nfs/dbraw/zinc/57/33/16/772573316.db2.gz ARPCLLXVUIRLNA-CYBMUJFWSA-N 1 2 296.323 1.513 20 5 CDBDLO Cn1cc[nH+]c1Cn1cc([N+](=O)[O-])nc1Br ZINC000849991423 772716367 /nfs/dbraw/zinc/71/63/67/772716367.db2.gz JSLOBBWKLHCHED-UHFFFAOYSA-N 1 2 286.089 1.336 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794984922 773009683 /nfs/dbraw/zinc/00/96/83/773009683.db2.gz RVTBJKFRKOPRFC-JZYVYDRUSA-N 1 2 282.321 1.507 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794984922 773009687 /nfs/dbraw/zinc/00/96/87/773009687.db2.gz RVTBJKFRKOPRFC-JZYVYDRUSA-N 1 2 282.321 1.507 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886145132 773195194 /nfs/dbraw/zinc/19/51/94/773195194.db2.gz PTKWHIBYYCTKCM-PHIMTYICSA-N 1 2 261.281 1.686 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886145132 773195197 /nfs/dbraw/zinc/19/51/97/773195197.db2.gz PTKWHIBYYCTKCM-PHIMTYICSA-N 1 2 261.281 1.686 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001173233651 912326555 /nfs/dbraw/zinc/32/65/55/912326555.db2.gz XROXRFNYUXURRC-RYUDHWBXSA-N 1 2 291.351 1.688 20 5 CDBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001173233651 912326573 /nfs/dbraw/zinc/32/65/73/912326573.db2.gz XROXRFNYUXURRC-RYUDHWBXSA-N 1 2 291.351 1.688 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225491718 902794351 /nfs/dbraw/zinc/79/43/51/902794351.db2.gz SGHWGNKGONVWHP-ZDUSSCGKSA-N 1 2 264.281 1.773 20 5 CDBDLO O=C1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169014000 927619949 /nfs/dbraw/zinc/61/99/49/927619949.db2.gz XMWIGYDWKIIWSD-HBNTYKKESA-N 1 2 258.293 1.435 20 5 CDBDLO O=C1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169014000 927619956 /nfs/dbraw/zinc/61/99/56/927619956.db2.gz XMWIGYDWKIIWSD-HBNTYKKESA-N 1 2 258.293 1.435 20 5 CDBDLO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001116398185 937446230 /nfs/dbraw/zinc/44/62/30/937446230.db2.gz PGJRDCNLCVDAKR-NSHDSACASA-N 1 2 288.307 1.711 20 5 CDBDLO CCN(c1cc(Cl)ncc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455161 938494693 /nfs/dbraw/zinc/49/46/93/938494693.db2.gz ADNBHFIAGCRGQU-UHFFFAOYSA-N 1 2 270.720 1.784 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1cc(OC)c([N+](=O)[O-])cn1 ZINC001157460223 938495753 /nfs/dbraw/zinc/49/57/53/938495753.db2.gz TVJJEBAPRWGAHR-UHFFFAOYSA-N 1 2 291.311 1.721 20 5 CDBDLO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CCC[NH2+]C2)[nH]1 ZINC001218283157 941050986 /nfs/dbraw/zinc/05/09/86/941050986.db2.gz CVWMCDBIDIDFOF-VIFPVBQESA-N 1 2 290.279 1.374 20 5 CDBDLO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CCC[NH2+]C2)[nH]1 ZINC001218283155 941051147 /nfs/dbraw/zinc/05/11/47/941051147.db2.gz CVWMCDBIDIDFOF-SECBINFHSA-N 1 2 290.279 1.374 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001225490787 941869085 /nfs/dbraw/zinc/86/90/85/941869085.db2.gz KQEJNKZOSYPSAS-SNVBAGLBSA-N 1 2 275.264 1.891 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937758 942397024 /nfs/dbraw/zinc/39/70/24/942397024.db2.gz IYDMFOQLOGYPNN-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937758 942397026 /nfs/dbraw/zinc/39/70/26/942397026.db2.gz IYDMFOQLOGYPNN-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO Nc1[nH]c2cc(O[C@H](C[N+](=O)[O-])c3cccnc3)ccc2[nH+]1 ZINC001230516782 942630015 /nfs/dbraw/zinc/63/00/15/942630015.db2.gz UMKSZLGDWFGIBZ-CYBMUJFWSA-N 1 2 299.290 1.937 20 5 CDBDLO CC1(C)C(=O)NCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599928 947550697 /nfs/dbraw/zinc/55/06/97/947550697.db2.gz MXUGBAFLHPEIRY-CYBMUJFWSA-N 1 2 289.335 1.272 20 5 CDBDLO CC1(C)C(=O)NCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599928 947550704 /nfs/dbraw/zinc/55/07/04/947550704.db2.gz MXUGBAFLHPEIRY-CYBMUJFWSA-N 1 2 289.335 1.272 20 5 CDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(O)(C3CC3)C2)cc1 ZINC001326486089 954403295 /nfs/dbraw/zinc/40/32/95/954403295.db2.gz IOOLJKSSPZTLLL-ZDUSSCGKSA-N 1 2 278.308 1.085 20 5 CDBDLO Cc1nn(C[N@@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC001331049708 956787436 /nfs/dbraw/zinc/78/74/36/956787436.db2.gz KTNACDCSCJTREM-SNVBAGLBSA-N 1 2 256.281 1.739 20 5 CDBDLO Cc1nn(C[N@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC001331049708 956787445 /nfs/dbraw/zinc/78/74/45/956787445.db2.gz KTNACDCSCJTREM-SNVBAGLBSA-N 1 2 256.281 1.739 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001347104977 965374327 /nfs/dbraw/zinc/37/43/27/965374327.db2.gz RQXOKMRXTZBFNQ-LBPRGKRZSA-N 1 2 269.301 1.486 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001347104977 965374329 /nfs/dbraw/zinc/37/43/29/965374329.db2.gz RQXOKMRXTZBFNQ-LBPRGKRZSA-N 1 2 269.301 1.486 20 5 CDBDLO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1O ZINC001347290235 965455977 /nfs/dbraw/zinc/45/59/77/965455977.db2.gz FSUWGJFZBBWMPR-LBPRGKRZSA-N 1 2 291.307 1.124 20 5 CDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590379643 342541183 /nfs/dbraw/zinc/54/11/83/342541183.db2.gz YFZGCLGLVMGPQS-UHFFFAOYSA-N 1 2 272.264 1.516 20 5 CDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590379643 342541184 /nfs/dbraw/zinc/54/11/84/342541184.db2.gz YFZGCLGLVMGPQS-UHFFFAOYSA-N 1 2 272.264 1.516 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCc2[nH]c[nH+]c2C1 ZINC000590552991 342576383 /nfs/dbraw/zinc/57/63/83/342576383.db2.gz RPHXASZHCOAGCB-UHFFFAOYSA-N 1 2 262.225 1.109 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCc2[nH+]c[nH]c2C1 ZINC000590552991 342576384 /nfs/dbraw/zinc/57/63/84/342576384.db2.gz RPHXASZHCOAGCB-UHFFFAOYSA-N 1 2 262.225 1.109 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000609150065 342092372 /nfs/dbraw/zinc/09/23/72/342092372.db2.gz HBMIKHCYTBPQMR-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000609150065 342092373 /nfs/dbraw/zinc/09/23/73/342092373.db2.gz HBMIKHCYTBPQMR-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO CSc1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000070268796 361886713 /nfs/dbraw/zinc/88/67/13/361886713.db2.gz WBCRVQUUWMLFDV-UHFFFAOYSA-N 1 2 295.364 1.704 20 5 CDBDLO C[C@H](O)C[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000289973479 361926575 /nfs/dbraw/zinc/92/65/75/361926575.db2.gz XGVKPORWEXNKDP-QMMMGPOBSA-N 1 2 290.266 1.048 20 5 CDBDLO C[C@H](O)C[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000289973479 361926582 /nfs/dbraw/zinc/92/65/82/361926582.db2.gz XGVKPORWEXNKDP-QMMMGPOBSA-N 1 2 290.266 1.048 20 5 CDBDLO Cc1ccnc(N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000070496123 361983073 /nfs/dbraw/zinc/98/30/73/361983073.db2.gz KFIFYVVGVRDMJL-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1noc(C[N@H+](CC(N)=O)C2CCCC2)c1[N+](=O)[O-] ZINC000595303645 343030573 /nfs/dbraw/zinc/03/05/73/343030573.db2.gz BBNUDQHXJFYFSP-UHFFFAOYSA-N 1 2 282.300 1.121 20 5 CDBDLO Cc1noc(C[N@@H+](CC(N)=O)C2CCCC2)c1[N+](=O)[O-] ZINC000595303645 343030575 /nfs/dbraw/zinc/03/05/75/343030575.db2.gz BBNUDQHXJFYFSP-UHFFFAOYSA-N 1 2 282.300 1.121 20 5 CDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000126215875 187225002 /nfs/dbraw/zinc/22/50/02/187225002.db2.gz OODGUQQYGKZUIG-ZRNGKTOUSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000126215875 187225003 /nfs/dbraw/zinc/22/50/03/187225003.db2.gz OODGUQQYGKZUIG-ZRNGKTOUSA-N 1 2 288.344 1.933 20 5 CDBDLO Cc1noc(CSc2nc(N)cc(C)[nH+]2)c1[N+](=O)[O-] ZINC000596018247 343214908 /nfs/dbraw/zinc/21/49/08/343214908.db2.gz DXEWEDAMZPKVTC-UHFFFAOYSA-N 1 2 281.297 1.695 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000602768972 344574214 /nfs/dbraw/zinc/57/42/14/344574214.db2.gz ZDIYHOPUVFFZOL-VHSXEESVSA-N 1 2 268.317 1.209 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000602768972 344574216 /nfs/dbraw/zinc/57/42/16/344574216.db2.gz ZDIYHOPUVFFZOL-VHSXEESVSA-N 1 2 268.317 1.209 20 5 CDBDLO C[C@H]1COCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610990608 346566791 /nfs/dbraw/zinc/56/67/91/346566791.db2.gz CMRKKWNHVVUMKK-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO C[C@H]1COCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610990608 346566793 /nfs/dbraw/zinc/56/67/93/346566793.db2.gz CMRKKWNHVVUMKK-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1cc[nH+]cc1O ZINC000109889261 358475747 /nfs/dbraw/zinc/47/57/47/358475747.db2.gz UTSAECNTWIGOTL-UHFFFAOYSA-N 1 2 289.247 1.713 20 5 CDBDLO COc1cc[nH+]cc1CNc1c([N+](=O)[O-])ncn1C ZINC000292750840 198399821 /nfs/dbraw/zinc/39/98/21/198399821.db2.gz NOAJBEPPULMKPO-UHFFFAOYSA-N 1 2 263.257 1.344 20 5 CDBDLO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000279785818 363298902 /nfs/dbraw/zinc/29/89/02/363298902.db2.gz NZXCZNZTAQYBLG-LLVKDONJSA-N 1 2 266.297 1.679 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336842128 356295410 /nfs/dbraw/zinc/29/54/10/356295410.db2.gz TXTIQNKZFVENOL-UHFFFAOYSA-N 1 2 278.243 1.397 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000037148619 363466280 /nfs/dbraw/zinc/46/62/80/363466280.db2.gz NYVYNKCQOMLCPG-SNVBAGLBSA-N 1 2 287.323 1.983 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+](C)C1CC1 ZINC000157772849 356946980 /nfs/dbraw/zinc/94/69/80/356946980.db2.gz VVDUFNFEISLHKX-SECBINFHSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+](C)C1CC1 ZINC000157772849 356946982 /nfs/dbraw/zinc/94/69/82/356946982.db2.gz VVDUFNFEISLHKX-SECBINFHSA-N 1 2 293.323 1.513 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1[nH]cc[nH+]1 ZINC000135070501 357416847 /nfs/dbraw/zinc/41/68/47/357416847.db2.gz RVAUEDFPGGLKBW-UHFFFAOYSA-N 1 2 274.280 1.219 20 5 CDBDLO C[N@H+](CCC(N)=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286623365 357588625 /nfs/dbraw/zinc/58/86/25/357588625.db2.gz XURMEBKVWJBGPY-UHFFFAOYSA-N 1 2 273.239 1.180 20 5 CDBDLO C[N@@H+](CCC(N)=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286623365 357588627 /nfs/dbraw/zinc/58/86/27/357588627.db2.gz XURMEBKVWJBGPY-UHFFFAOYSA-N 1 2 273.239 1.180 20 5 CDBDLO Cn1c[nH+]cc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000360725276 357674970 /nfs/dbraw/zinc/67/49/70/357674970.db2.gz JRGCOSOXFDQACR-UHFFFAOYSA-N 1 2 286.247 1.125 20 5 CDBDLO CC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189461580 358014379 /nfs/dbraw/zinc/01/43/79/358014379.db2.gz SVTNRXCBFJXVCG-NSHDSACASA-N 1 2 266.297 1.429 20 5 CDBDLO CC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191708738 358147694 /nfs/dbraw/zinc/14/76/94/358147694.db2.gz BSAQPMACYHIDAH-UHFFFAOYSA-N 1 2 271.704 1.555 20 5 CDBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191708738 358147698 /nfs/dbraw/zinc/14/76/98/358147698.db2.gz BSAQPMACYHIDAH-UHFFFAOYSA-N 1 2 271.704 1.555 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000353108403 359260622 /nfs/dbraw/zinc/26/06/22/359260622.db2.gz QKOKJAMCPNVOLB-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064457 359283152 /nfs/dbraw/zinc/28/31/52/359283152.db2.gz GNBWMKOPSASZMO-GHMZBOCLSA-N 1 2 279.340 1.825 20 5 CDBDLO CC[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1[nH]cc[nH+]1 ZINC000347953322 359971505 /nfs/dbraw/zinc/97/15/05/359971505.db2.gz JICSEBYVLOVKAN-MRVPVSSYSA-N 1 2 292.299 1.241 20 5 CDBDLO Cc1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000519519282 361373811 /nfs/dbraw/zinc/37/38/11/361373811.db2.gz AOGIISQFCMCLLM-UHFFFAOYSA-N 1 2 282.281 1.427 20 5 CDBDLO CCc1c[nH+]ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000265209475 361508440 /nfs/dbraw/zinc/50/84/40/361508440.db2.gz LMESLAXDWXDGFH-UHFFFAOYSA-N 1 2 275.268 1.387 20 5 CDBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353143834 365026363 /nfs/dbraw/zinc/02/63/63/365026363.db2.gz UDOQWUVDPKJJPE-UHFFFAOYSA-N 1 2 266.297 1.978 20 5 CDBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353143834 365026368 /nfs/dbraw/zinc/02/63/68/365026368.db2.gz UDOQWUVDPKJJPE-UHFFFAOYSA-N 1 2 266.297 1.978 20 5 CDBDLO C[NH2+]Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000414497764 241231806 /nfs/dbraw/zinc/23/18/06/241231806.db2.gz GNRHDSCCRIIBGZ-UHFFFAOYSA-N 1 2 282.687 1.941 20 5 CDBDLO O=[N+]([O-])c1cc(CN2CCn3cc[nH+]c3C2)cs1 ZINC000331833519 204218559 /nfs/dbraw/zinc/21/85/59/204218559.db2.gz CFMKQXNSCGNQFR-UHFFFAOYSA-N 1 2 264.310 1.869 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000330459850 374855244 /nfs/dbraw/zinc/85/52/44/374855244.db2.gz UJQVXDRDVYVSNE-IINYFYTJSA-N 1 2 280.324 1.893 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000330459850 374855249 /nfs/dbraw/zinc/85/52/49/374855249.db2.gz UJQVXDRDVYVSNE-IINYFYTJSA-N 1 2 280.324 1.893 20 5 CDBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279809432 374963975 /nfs/dbraw/zinc/96/39/75/374963975.db2.gz PTONCVKGAIKCLP-LBPRGKRZSA-N 1 2 293.323 1.236 20 5 CDBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279809432 374963980 /nfs/dbraw/zinc/96/39/80/374963980.db2.gz PTONCVKGAIKCLP-LBPRGKRZSA-N 1 2 293.323 1.236 20 5 CDBDLO O=C(NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000351745091 375325964 /nfs/dbraw/zinc/32/59/64/375325964.db2.gz USXQMJZYYQMIBO-UHFFFAOYSA-N 1 2 286.291 1.832 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccsc1 ZINC000352032559 375349338 /nfs/dbraw/zinc/34/93/38/375349338.db2.gz MJYHPKGENUUAML-SECBINFHSA-N 1 2 282.325 1.213 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000428126010 247247121 /nfs/dbraw/zinc/24/71/21/247247121.db2.gz RJFGQHKVCWJRPY-UHFFFAOYSA-N 1 2 275.268 1.053 20 5 CDBDLO Cc1nn(C)c(N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000139912718 376060841 /nfs/dbraw/zinc/06/08/41/376060841.db2.gz YHZARLOQHVNFIH-SSDOTTSWSA-N 1 2 250.262 1.533 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190151198 377558025 /nfs/dbraw/zinc/55/80/25/377558025.db2.gz ODYPNXXOTKYHPQ-IINYFYTJSA-N 1 2 291.351 1.989 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190151198 377558030 /nfs/dbraw/zinc/55/80/30/377558030.db2.gz ODYPNXXOTKYHPQ-IINYFYTJSA-N 1 2 291.351 1.989 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000266916697 378659454 /nfs/dbraw/zinc/65/94/54/378659454.db2.gz GQFMXEGIYQDHGP-LBPRGKRZSA-N 1 2 297.742 1.911 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000266916697 378659462 /nfs/dbraw/zinc/65/94/62/378659462.db2.gz GQFMXEGIYQDHGP-LBPRGKRZSA-N 1 2 297.742 1.911 20 5 CDBDLO CCc1ccc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000266938579 378874517 /nfs/dbraw/zinc/87/45/17/378874517.db2.gz PDZAHDLNSUGTNP-UHFFFAOYSA-N 1 2 288.307 1.821 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)c(F)c1 ZINC000267008378 379147706 /nfs/dbraw/zinc/14/77/06/379147706.db2.gz GRMXUAPCZPMDIY-UHFFFAOYSA-N 1 2 254.261 1.691 20 5 CDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC000491153089 253064685 /nfs/dbraw/zinc/06/46/85/253064685.db2.gz YGIWIOSSHSINHS-SNAWJCMRSA-N 1 2 286.291 1.621 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000134495935 390205757 /nfs/dbraw/zinc/20/57/57/390205757.db2.gz HWWDPHWMHWLJEI-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339057182 390681846 /nfs/dbraw/zinc/68/18/46/390681846.db2.gz RMJPZGLTCKNYFS-GZMMTYOYSA-N 1 2 252.270 1.256 20 5 CDBDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339057182 390681850 /nfs/dbraw/zinc/68/18/50/390681850.db2.gz RMJPZGLTCKNYFS-GZMMTYOYSA-N 1 2 252.270 1.256 20 5 CDBDLO O=C(NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1O ZINC000184582740 391555734 /nfs/dbraw/zinc/55/57/34/391555734.db2.gz FKEQMVOSZAHHDD-UHFFFAOYSA-N 1 2 290.279 1.317 20 5 CDBDLO Cc1nc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297274050 391858670 /nfs/dbraw/zinc/85/86/70/391858670.db2.gz WZCHBRVRZMVMFR-KOLCDFICSA-N 1 2 295.343 1.214 20 5 CDBDLO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262318525 131211034 /nfs/dbraw/zinc/21/10/34/131211034.db2.gz DVOPDZHNKNHZRC-WPRPVWTQSA-N 1 2 279.296 1.171 20 5 CDBDLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000523698373 392891958 /nfs/dbraw/zinc/89/19/58/392891958.db2.gz CLKNPZGXNWLMNI-UHFFFAOYSA-N 1 2 286.291 1.797 20 5 CDBDLO COc1cc(NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000525193366 392922592 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ZINC000590552161 342576416 /nfs/dbraw/zinc/57/64/16/342576416.db2.gz HVFGISHJNRXOFI-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO O=[N+]([O-])c1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590602257 342577554 /nfs/dbraw/zinc/57/75/54/342577554.db2.gz UOZTULIIYHCXBX-UHFFFAOYSA-N 1 2 258.281 1.876 20 5 CDBDLO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000600822906 342251219 /nfs/dbraw/zinc/25/12/19/342251219.db2.gz CDIFYEXMTYNPNQ-UHFFFAOYSA-N 1 2 279.296 1.172 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301760 343028172 /nfs/dbraw/zinc/02/81/72/343028172.db2.gz OMYRYIFAPBREQX-GFCCVEGCSA-N 1 2 295.314 1.834 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301760 343028174 /nfs/dbraw/zinc/02/81/74/343028174.db2.gz OMYRYIFAPBREQX-GFCCVEGCSA-N 1 2 295.314 1.834 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCOCC1 ZINC000091556646 349777803 /nfs/dbraw/zinc/77/78/03/349777803.db2.gz XWRMJEFUSCGJDB-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H](C)OC ZINC000595493543 343076974 /nfs/dbraw/zinc/07/69/74/343076974.db2.gz MJQLVYWDPGYXCI-QMMMGPOBSA-N 1 2 257.290 1.748 20 5 CDBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H](C)OC ZINC000595493543 343076976 /nfs/dbraw/zinc/07/69/76/343076976.db2.gz MJQLVYWDPGYXCI-QMMMGPOBSA-N 1 2 257.290 1.748 20 5 CDBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1[nH+]ccn1C ZINC000596486919 343329012 /nfs/dbraw/zinc/32/90/12/343329012.db2.gz BQGRIAQKLFQTGO-QMMMGPOBSA-N 1 2 277.284 1.158 20 5 CDBDLO C[C@H](O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190831166 290081880 /nfs/dbraw/zinc/08/18/80/290081880.db2.gz BCXYMPGQVRRCOV-UWVGGRQHSA-N 1 2 286.303 1.298 20 5 CDBDLO C[C@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190831166 290081883 /nfs/dbraw/zinc/08/18/83/290081883.db2.gz BCXYMPGQVRRCOV-UWVGGRQHSA-N 1 2 286.303 1.298 20 5 CDBDLO CC1(O)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000161204687 362629745 /nfs/dbraw/zinc/62/97/45/362629745.db2.gz RYNOZLURTBWBMB-UHFFFAOYSA-N 1 2 293.323 1.380 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N2CCn3cc[nH+]c3C2)n1 ZINC000610806713 346442404 /nfs/dbraw/zinc/44/24/04/346442404.db2.gz IADICKWSNLIIAS-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000612781139 347282525 /nfs/dbraw/zinc/28/25/25/347282525.db2.gz PPXZNADHFCFTGL-JTQLQIEISA-N 1 2 274.284 1.423 20 5 CDBDLO COCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054353631 347820857 /nfs/dbraw/zinc/82/08/57/347820857.db2.gz XNGKEOKKSMGKNT-UHFFFAOYSA-N 1 2 297.311 1.120 20 5 CDBDLO COCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054353631 347820860 /nfs/dbraw/zinc/82/08/60/347820860.db2.gz XNGKEOKKSMGKNT-UHFFFAOYSA-N 1 2 297.311 1.120 20 5 CDBDLO CN(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000061785128 348911291 /nfs/dbraw/zinc/91/12/91/348911291.db2.gz LCMXXDLEZFTWOQ-UHFFFAOYSA-N 1 2 251.286 1.115 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000061785128 348911295 /nfs/dbraw/zinc/91/12/95/348911295.db2.gz LCMXXDLEZFTWOQ-UHFFFAOYSA-N 1 2 251.286 1.115 20 5 CDBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000090969321 180077034 /nfs/dbraw/zinc/07/70/34/180077034.db2.gz AYEYCMDMWXBTSF-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO Cc1c([C@@H](C)[NH2+]Cc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000090969436 180077239 /nfs/dbraw/zinc/07/72/39/180077239.db2.gz FKCQKFTXWBKNNL-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO Cn1ccnc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000153402416 188081017 /nfs/dbraw/zinc/08/10/17/188081017.db2.gz GEYZCYCHTMNCBY-UHFFFAOYSA-N 1 2 290.323 1.839 20 5 CDBDLO Cn1ccnc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000153402416 188081019 /nfs/dbraw/zinc/08/10/19/188081019.db2.gz GEYZCYCHTMNCBY-UHFFFAOYSA-N 1 2 290.323 1.839 20 5 CDBDLO Cn1nncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154253585 188131632 /nfs/dbraw/zinc/13/16/32/188131632.db2.gz YLXVSZOSKZVNED-UHFFFAOYSA-N 1 2 287.323 1.888 20 5 CDBDLO Cn1nncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154253585 188131633 /nfs/dbraw/zinc/13/16/33/188131633.db2.gz YLXVSZOSKZVNED-UHFFFAOYSA-N 1 2 287.323 1.888 20 5 CDBDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157581814 188325700 /nfs/dbraw/zinc/32/57/00/188325700.db2.gz AGLLDZINCFVSEF-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157581814 188325701 /nfs/dbraw/zinc/32/57/01/188325701.db2.gz AGLLDZINCFVSEF-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185102509 357509744 /nfs/dbraw/zinc/50/97/44/357509744.db2.gz OQBVVDYIMDJPAN-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO CN(C(=O)C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000103467938 358924578 /nfs/dbraw/zinc/92/45/78/358924578.db2.gz QDVYSEWXISVFGC-UHFFFAOYSA-N 1 2 295.364 1.606 20 5 CDBDLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092481 359288479 /nfs/dbraw/zinc/28/84/79/359288479.db2.gz UJRFRDOAVAEEGV-JSGCOSHPSA-N 1 2 296.323 1.584 20 5 CDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046722 359352665 /nfs/dbraw/zinc/35/26/65/359352665.db2.gz FENVESMHACHVEV-UONOGXRCSA-N 1 2 277.324 1.110 20 5 CDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046722 359352671 /nfs/dbraw/zinc/35/26/71/359352671.db2.gz FENVESMHACHVEV-UONOGXRCSA-N 1 2 277.324 1.110 20 5 CDBDLO CC[C@H]([NH2+]Cc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000038007626 359468857 /nfs/dbraw/zinc/46/88/57/359468857.db2.gz RWQVKNFKVDXAEF-LBPRGKRZSA-N 1 2 275.312 1.964 20 5 CDBDLO CC[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1[nH]cc[nH+]1 ZINC000347953325 359971594 /nfs/dbraw/zinc/97/15/94/359971594.db2.gz JICSEBYVLOVKAN-QMMMGPOBSA-N 1 2 292.299 1.241 20 5 CDBDLO Cc1csc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000348098458 360397658 /nfs/dbraw/zinc/39/76/58/360397658.db2.gz SSLAWWFGKWBGDN-MRVPVSSYSA-N 1 2 281.341 1.944 20 5 CDBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000575095221 360797275 /nfs/dbraw/zinc/79/72/75/360797275.db2.gz CIEBQBMXROWQLC-OCCSQVGLSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000575095221 360797280 /nfs/dbraw/zinc/79/72/80/360797280.db2.gz CIEBQBMXROWQLC-OCCSQVGLSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1cccc(N(C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000275439272 193036827 /nfs/dbraw/zinc/03/68/27/193036827.db2.gz JSRHWDYGJWJOHG-UHFFFAOYSA-N 1 2 279.340 1.672 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000278698942 367681035 /nfs/dbraw/zinc/68/10/35/367681035.db2.gz RVMYCXFPGKLOTJ-UHFFFAOYSA-N 1 2 279.296 1.123 20 5 CDBDLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000090824871 370190865 /nfs/dbraw/zinc/19/08/65/370190865.db2.gz UCFRCWNIJUKXOJ-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000090824871 370190868 /nfs/dbraw/zinc/19/08/68/370190868.db2.gz UCFRCWNIJUKXOJ-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1[nH+]ccn1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356508587 372907849 /nfs/dbraw/zinc/90/78/49/372907849.db2.gz ZNQLSBHPMHZMBT-UHFFFAOYSA-N 1 2 290.279 1.235 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115575313 374415720 /nfs/dbraw/zinc/41/57/20/374415720.db2.gz NBLDUNAUVQPVEU-GFCCVEGCSA-N 1 2 293.323 1.305 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115575313 374415725 /nfs/dbraw/zinc/41/57/25/374415725.db2.gz NBLDUNAUVQPVEU-GFCCVEGCSA-N 1 2 293.323 1.305 20 5 CDBDLO Cn1c[nH+]cc1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000276676754 374741551 /nfs/dbraw/zinc/74/15/51/374741551.db2.gz ZZDLMTPMOGFTIF-UHFFFAOYSA-N 1 2 288.307 1.577 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330563537 374864650 /nfs/dbraw/zinc/86/46/50/374864650.db2.gz DITQOWVWLNCCET-ZDUSSCGKSA-N 1 2 293.323 1.353 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330563537 374864655 /nfs/dbraw/zinc/86/46/55/374864655.db2.gz DITQOWVWLNCCET-ZDUSSCGKSA-N 1 2 293.323 1.353 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000330442437 374853351 /nfs/dbraw/zinc/85/33/51/374853351.db2.gz ASJFEGDNFCVVPT-NOZJJQNGSA-N 1 2 266.297 1.503 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000330442437 374853355 /nfs/dbraw/zinc/85/33/55/374853355.db2.gz ASJFEGDNFCVVPT-NOZJJQNGSA-N 1 2 266.297 1.503 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)n1 ZINC000162594243 375389776 /nfs/dbraw/zinc/38/97/76/375389776.db2.gz LZXGYOFKPNLMJS-UHFFFAOYSA-N 1 2 261.285 1.997 20 5 CDBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351762529 375329195 /nfs/dbraw/zinc/32/91/95/375329195.db2.gz ZOLVQSHODPTGCP-JVXZTZIISA-N 1 2 272.251 1.686 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351762529 375329202 /nfs/dbraw/zinc/32/92/02/375329202.db2.gz ZOLVQSHODPTGCP-JVXZTZIISA-N 1 2 272.251 1.686 20 5 CDBDLO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000030196406 375566272 /nfs/dbraw/zinc/56/62/72/375566272.db2.gz JEHPEQLMJPRVPE-UHFFFAOYSA-N 1 2 293.323 1.305 20 5 CDBDLO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000030196406 375566275 /nfs/dbraw/zinc/56/62/75/375566275.db2.gz JEHPEQLMJPRVPE-UHFFFAOYSA-N 1 2 293.323 1.305 20 5 CDBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353530121 375623094 /nfs/dbraw/zinc/62/30/94/375623094.db2.gz TZHAURGZMIIGDY-UHFFFAOYSA-N 1 2 254.261 1.689 20 5 CDBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353530121 375623104 /nfs/dbraw/zinc/62/31/04/375623104.db2.gz TZHAURGZMIIGDY-UHFFFAOYSA-N 1 2 254.261 1.689 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1nc2sccn2c1[N+](=O)[O-] ZINC000357664452 375925731 /nfs/dbraw/zinc/92/57/31/375925731.db2.gz SYAUABYORVZSCF-UHFFFAOYSA-N 1 2 278.297 1.664 20 5 CDBDLO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000174249688 379414146 /nfs/dbraw/zinc/41/41/46/379414146.db2.gz OUTWFWVXIWGFHJ-UHFFFAOYSA-N 1 2 281.312 1.418 20 5 CDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449647960 250950666 /nfs/dbraw/zinc/95/06/66/250950666.db2.gz QYYHODRPMRFSFD-JTQLQIEISA-N 1 2 299.277 1.569 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccco3)CC2)s1 ZINC000281768271 195373129 /nfs/dbraw/zinc/37/31/29/195373129.db2.gz CRNXICABZZRIFD-UHFFFAOYSA-N 1 2 294.336 1.967 20 5 CDBDLO Cn1cc[nH+]c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356624312 391084023 /nfs/dbraw/zinc/08/40/23/391084023.db2.gz WNEKALNYTZUPGX-UHFFFAOYSA-N 1 2 281.293 1.302 20 5 CDBDLO CC[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000413261893 391187635 /nfs/dbraw/zinc/18/76/35/391187635.db2.gz GTGPWLDPDBDFOF-NSHDSACASA-N 1 2 298.318 1.652 20 5 CDBDLO CC[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000413261893 391187637 /nfs/dbraw/zinc/18/76/37/391187637.db2.gz GTGPWLDPDBDFOF-NSHDSACASA-N 1 2 298.318 1.652 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[NH+]1CCOCC1 ZINC000192487695 392089952 /nfs/dbraw/zinc/08/99/52/392089952.db2.gz AGPQJNNNDFYIEU-SNVBAGLBSA-N 1 2 297.359 1.252 20 5 CDBDLO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262020606 131183817 /nfs/dbraw/zinc/18/38/17/131183817.db2.gz CXFNPHAAOSCTSK-QWRGUYRKSA-N 1 2 293.323 1.548 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000264968144 131530666 /nfs/dbraw/zinc/53/06/66/131530666.db2.gz YJJNBQJFPWCAPQ-LBPRGKRZSA-N 1 2 293.371 1.346 20 5 CDBDLO CN(CCOCCO)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000425263371 393008254 /nfs/dbraw/zinc/00/82/54/393008254.db2.gz UCQIICCRTKBMPW-UHFFFAOYSA-N 1 2 291.307 1.588 20 5 CDBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332600915 393153059 /nfs/dbraw/zinc/15/30/59/393153059.db2.gz ATROLJCHWNUSOZ-LLVKDONJSA-N 1 2 282.344 1.575 20 5 CDBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332600915 393153069 /nfs/dbraw/zinc/15/30/69/393153069.db2.gz ATROLJCHWNUSOZ-LLVKDONJSA-N 1 2 282.344 1.575 20 5 CDBDLO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000236193738 140239292 /nfs/dbraw/zinc/23/92/92/140239292.db2.gz MTKHUGSRRWYQBK-UHFFFAOYSA-N 1 2 279.296 1.901 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247026086 140286953 /nfs/dbraw/zinc/28/69/53/140286953.db2.gz HOKCFOOWFCQPIB-CABCVRRESA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247026086 140286956 /nfs/dbraw/zinc/28/69/56/140286956.db2.gz HOKCFOOWFCQPIB-CABCVRRESA-N 1 2 292.335 1.975 20 5 CDBDLO Cc1cccc2[nH+]c(Cn3cc([N+](=O)[O-])cn3)cn21 ZINC000078387046 177336697 /nfs/dbraw/zinc/33/66/97/177336697.db2.gz PBAIBLKFBKYNSM-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO CC(C)(C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232519964 278609516 /nfs/dbraw/zinc/60/95/16/278609516.db2.gz YVWZZJVNKTYWLK-UHFFFAOYSA-N 1 2 253.258 1.224 20 5 CDBDLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000573900505 294907303 /nfs/dbraw/zinc/90/73/03/294907303.db2.gz NEQXDSQKBRZMJL-NSHDSACASA-N 1 2 288.307 1.711 20 5 CDBDLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000180433944 316009914 /nfs/dbraw/zinc/00/99/14/316009914.db2.gz VEMYNMARKHTHFW-SECBINFHSA-N 1 2 273.296 1.818 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000380214405 323610832 /nfs/dbraw/zinc/61/08/32/323610832.db2.gz QRWKAYKQTDUUJP-VOTSOKGWSA-N 1 2 286.291 1.956 20 5 CDBDLO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000163754536 520484287 /nfs/dbraw/zinc/48/42/87/520484287.db2.gz IFJPSZNNNPMOHH-GFCCVEGCSA-N 1 2 280.324 1.567 20 5 CDBDLO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000163754536 520484295 /nfs/dbraw/zinc/48/42/95/520484295.db2.gz IFJPSZNNNPMOHH-GFCCVEGCSA-N 1 2 280.324 1.567 20 5 CDBDLO O=C(NCC[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000061742848 526318347 /nfs/dbraw/zinc/31/83/47/526318347.db2.gz PFXRVQJWHOSMFZ-UHFFFAOYSA-N 1 2 294.311 1.049 20 5 CDBDLO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000261978403 536466708 /nfs/dbraw/zinc/46/67/08/536466708.db2.gz GYHNAWQCYVDCSR-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO C[C@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725777606 574435656 /nfs/dbraw/zinc/43/56/56/574435656.db2.gz GPPCFXCXBIKKIB-ZETCQYMHSA-N 1 2 289.133 1.853 20 5 CDBDLO C[C@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000725777606 574435657 /nfs/dbraw/zinc/43/56/57/574435657.db2.gz GPPCFXCXBIKKIB-ZETCQYMHSA-N 1 2 289.133 1.853 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000729185564 574726367 /nfs/dbraw/zinc/72/63/67/574726367.db2.gz SFQXIAJTUSAJJY-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000729185564 574726369 /nfs/dbraw/zinc/72/63/69/574726369.db2.gz SFQXIAJTUSAJJY-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO O=[N+]([O-])c1ccnn1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738158655 576045256 /nfs/dbraw/zinc/04/52/56/576045256.db2.gz OOLSYFRMDUFKPT-LLVKDONJSA-N 1 2 276.300 1.282 20 5 CDBDLO O=[N+]([O-])c1cn(CC[NH+]2CCOCC2)nc1C1CC1 ZINC000767059827 576156740 /nfs/dbraw/zinc/15/67/40/576156740.db2.gz KRRFVCPXLUEIFQ-UHFFFAOYSA-N 1 2 266.301 1.001 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000769195785 576336928 /nfs/dbraw/zinc/33/69/28/576336928.db2.gz PDZNFYYYAQYGER-ZDUSSCGKSA-N 1 2 293.323 1.401 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000769195785 576336929 /nfs/dbraw/zinc/33/69/29/576336929.db2.gz PDZNFYYYAQYGER-ZDUSSCGKSA-N 1 2 293.323 1.401 20 5 CDBDLO CCOCC[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000107669095 781082436 /nfs/dbraw/zinc/08/24/36/781082436.db2.gz NORCUFUFDBOPOM-UHFFFAOYSA-N 1 2 270.333 1.724 20 5 CDBDLO CCOCC[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000107669095 781082445 /nfs/dbraw/zinc/08/24/45/781082445.db2.gz NORCUFUFDBOPOM-UHFFFAOYSA-N 1 2 270.333 1.724 20 5 CDBDLO C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000121592379 781109695 /nfs/dbraw/zinc/10/96/95/781109695.db2.gz FUKDZPSNMUDJCO-RYUDHWBXSA-N 1 2 290.327 1.528 20 5 CDBDLO CCOC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000113922728 781820557 /nfs/dbraw/zinc/82/05/57/781820557.db2.gz RHXKDVUAYNGNMA-NSHDSACASA-N 1 2 268.317 1.497 20 5 CDBDLO CCOC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000113922728 781820559 /nfs/dbraw/zinc/82/05/59/781820559.db2.gz RHXKDVUAYNGNMA-NSHDSACASA-N 1 2 268.317 1.497 20 5 CDBDLO C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000246632645 781859761 /nfs/dbraw/zinc/85/97/61/781859761.db2.gz OJJVEKRLOZROHL-DGCLKSJQSA-N 1 2 290.327 1.528 20 5 CDBDLO COc1ccc(C[NH+]2CCN(CC[N+](=O)[O-])CC2)cc1F ZINC000791053771 783474341 /nfs/dbraw/zinc/47/43/41/783474341.db2.gz PEVWDYGXCOEORI-UHFFFAOYSA-N 1 2 297.330 1.229 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCNC1=O ZINC000783579572 906454603 /nfs/dbraw/zinc/45/46/03/906454603.db2.gz HAJTYRPGLKWHLS-NSHDSACASA-N 1 2 283.715 1.569 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCNC1=O ZINC000783579572 906454610 /nfs/dbraw/zinc/45/46/10/906454610.db2.gz HAJTYRPGLKWHLS-NSHDSACASA-N 1 2 283.715 1.569 20 5 CDBDLO CCC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000069062344 915744753 /nfs/dbraw/zinc/74/47/53/915744753.db2.gz JEOKJISSTDSXCQ-UHFFFAOYSA-N 1 2 277.280 1.490 20 5 CDBDLO CCC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000069062344 915744761 /nfs/dbraw/zinc/74/47/61/915744761.db2.gz JEOKJISSTDSXCQ-UHFFFAOYSA-N 1 2 277.280 1.490 20 5 CDBDLO O=C1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169013998 927620097 /nfs/dbraw/zinc/62/00/97/927620097.db2.gz XMWIGYDWKIIWSD-AXFHLTTASA-N 1 2 258.293 1.435 20 5 CDBDLO O=C1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169013998 927620103 /nfs/dbraw/zinc/62/01/03/927620103.db2.gz XMWIGYDWKIIWSD-AXFHLTTASA-N 1 2 258.293 1.435 20 5 CDBDLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053562 927671610 /nfs/dbraw/zinc/67/16/10/927671610.db2.gz IRQIDYXKVQWJAT-VXGBXAGGSA-N 1 2 299.371 1.942 20 5 CDBDLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053562 927671621 /nfs/dbraw/zinc/67/16/21/927671621.db2.gz IRQIDYXKVQWJAT-VXGBXAGGSA-N 1 2 299.371 1.942 20 5 CDBDLO Cc1cc(=O)n(Cc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000782112366 937240335 /nfs/dbraw/zinc/24/03/35/937240335.db2.gz PKFLXBPQOXGBMK-UHFFFAOYSA-N 1 2 288.307 1.574 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccnc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000882598728 930046332 /nfs/dbraw/zinc/04/63/32/930046332.db2.gz KFMIJLILNJCMIA-UWVGGRQHSA-N 1 2 298.318 1.650 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccnc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000882598728 930046342 /nfs/dbraw/zinc/04/63/42/930046342.db2.gz KFMIJLILNJCMIA-UWVGGRQHSA-N 1 2 298.318 1.650 20 5 CDBDLO Cc1noc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195116319 934740206 /nfs/dbraw/zinc/74/02/06/934740206.db2.gz HDXCSQVURZKMQQ-SNVBAGLBSA-N 1 2 292.299 1.320 20 5 CDBDLO Cc1noc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195116319 934740209 /nfs/dbraw/zinc/74/02/09/934740209.db2.gz HDXCSQVURZKMQQ-SNVBAGLBSA-N 1 2 292.299 1.320 20 5 CDBDLO Nc1cc(CNc2ncc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC001156756042 938414686 /nfs/dbraw/zinc/41/46/86/938414686.db2.gz PFCVFCQCSWCXNS-UHFFFAOYSA-N 1 2 263.232 1.718 20 5 CDBDLO COc1nc(C)c([N+](=O)[O-])c(NC2C[NH+](C(C)C)C2)n1 ZINC001157530569 938505245 /nfs/dbraw/zinc/50/52/45/938505245.db2.gz FPWCSGFQLQBFAG-UHFFFAOYSA-N 1 2 281.316 1.206 20 5 CDBDLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001158224955 938597113 /nfs/dbraw/zinc/59/71/13/938597113.db2.gz RSHLGXRNOJFYBH-UHFFFAOYSA-N 1 2 289.295 1.711 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225434752 941858884 /nfs/dbraw/zinc/85/88/84/941858884.db2.gz KMTAHHLHDPRZLB-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225434752 941858889 /nfs/dbraw/zinc/85/88/89/941858889.db2.gz KMTAHHLHDPRZLB-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO Cc1cc(F)cc([N+](=O)[O-])c1OC[C@H]1C[N@H+](C)CCO1 ZINC001229201804 942431114 /nfs/dbraw/zinc/43/11/14/942431114.db2.gz SIGNBOMXYWUPSC-LLVKDONJSA-N 1 2 284.287 1.752 20 5 CDBDLO Cc1cc(F)cc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001229201804 942431119 /nfs/dbraw/zinc/43/11/19/942431119.db2.gz SIGNBOMXYWUPSC-LLVKDONJSA-N 1 2 284.287 1.752 20 5 CDBDLO COC1C[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550595 947519876 /nfs/dbraw/zinc/51/98/76/947519876.db2.gz MRTHLUGGQPFNPB-SNVBAGLBSA-N 1 2 250.298 1.856 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001254550679 947520882 /nfs/dbraw/zinc/52/08/82/947520882.db2.gz ONTNHRVQCBSXAY-NSHDSACASA-N 1 2 250.298 1.858 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2ncnc2C1 ZINC001254551120 947522083 /nfs/dbraw/zinc/52/20/83/947522083.db2.gz YKVVULQLYYKRQG-NSHDSACASA-N 1 2 287.323 1.633 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2ncnc2C1 ZINC001254551120 947522097 /nfs/dbraw/zinc/52/20/97/947522097.db2.gz YKVVULQLYYKRQG-NSHDSACASA-N 1 2 287.323 1.633 20 5 CDBDLO Nc1[nH+]cccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001310593013 956700591 /nfs/dbraw/zinc/70/05/91/956700591.db2.gz LAZIYNUEBDFADA-UHFFFAOYSA-N 1 2 287.279 1.894 20 5 CDBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1C ZINC001324288874 961285546 /nfs/dbraw/zinc/28/55/46/961285546.db2.gz RSWCGIGWUUEBDQ-QMMMGPOBSA-N 1 2 290.327 1.465 20 5 CDBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001341265142 963343778 /nfs/dbraw/zinc/34/37/78/963343778.db2.gz HRXSVDCXUBTJCO-MRVPVSSYSA-N 1 2 256.224 1.306 20 5 CDBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001341265142 963343787 /nfs/dbraw/zinc/34/37/87/963343787.db2.gz HRXSVDCXUBTJCO-MRVPVSSYSA-N 1 2 256.224 1.306 20 5 CDBDLO Nc1nccc(C(=O)OCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000848786255 969294245 /nfs/dbraw/zinc/29/42/45/969294245.db2.gz FSRMBWJZGJPDHL-UHFFFAOYSA-N 1 2 291.267 1.016 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001522482492 970442066 /nfs/dbraw/zinc/44/20/66/970442066.db2.gz SIYVZTPZBMBHJW-UHFFFAOYSA-N 1 2 274.280 1.301 20 5 CDBDLO O=[N+]([O-])c1sccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601170034 342485813 /nfs/dbraw/zinc/48/58/13/342485813.db2.gz JTVJSYKNSZHLKO-NSHDSACASA-N 1 2 297.380 1.957 20 5 CDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])s1 ZINC000588070139 342492191 /nfs/dbraw/zinc/49/21/91/342492191.db2.gz AZCLRCLRPSJYIJ-QWRGUYRKSA-N 1 2 297.380 1.956 20 5 CDBDLO Cn1nccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338355 365646450 /nfs/dbraw/zinc/64/64/50/365646450.db2.gz KVPWRDYGXJLQKG-UHFFFAOYSA-N 1 2 272.308 1.887 20 5 CDBDLO Cn1nccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338355 365646455 /nfs/dbraw/zinc/64/64/55/365646455.db2.gz KVPWRDYGXJLQKG-UHFFFAOYSA-N 1 2 272.308 1.887 20 5 CDBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080600637 342211665 /nfs/dbraw/zinc/21/16/65/342211665.db2.gz MQCRRJUFXIYRLP-UHFFFAOYSA-N 1 2 280.328 1.067 20 5 CDBDLO NC(=O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000103467211 342265756 /nfs/dbraw/zinc/26/57/56/342265756.db2.gz KSVRGOAJMXDZMZ-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO NC(=O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000103467211 342265757 /nfs/dbraw/zinc/26/57/57/342265757.db2.gz KSVRGOAJMXDZMZ-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO Cc1noc(C[N@@H+]2CCSC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595345203 343044248 /nfs/dbraw/zinc/04/42/48/343044248.db2.gz QPOQBUDUEWJNLT-SECBINFHSA-N 1 2 287.341 1.191 20 5 CDBDLO Cc1noc(C[N@H+]2CCSC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595345203 343044250 /nfs/dbraw/zinc/04/42/50/343044250.db2.gz QPOQBUDUEWJNLT-SECBINFHSA-N 1 2 287.341 1.191 20 5 CDBDLO Cc1noc(C[N@@H+]2CCSC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595345204 343043920 /nfs/dbraw/zinc/04/39/20/343043920.db2.gz QPOQBUDUEWJNLT-VIFPVBQESA-N 1 2 287.341 1.191 20 5 CDBDLO Cc1noc(C[N@H+]2CCSC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595345204 343043922 /nfs/dbraw/zinc/04/39/22/343043922.db2.gz QPOQBUDUEWJNLT-VIFPVBQESA-N 1 2 287.341 1.191 20 5 CDBDLO Cc1noc(C[NH+]2CCC(O)(C(F)F)CC2)c1[N+](=O)[O-] ZINC000595444754 343063505 /nfs/dbraw/zinc/06/35/05/343063505.db2.gz DKZNVLCOHBUXTK-UHFFFAOYSA-N 1 2 291.254 1.483 20 5 CDBDLO CCOC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618823 344096221 /nfs/dbraw/zinc/09/62/21/344096221.db2.gz NOTZFJASEPRPCD-CQSZACIVSA-N 1 2 280.324 1.832 20 5 CDBDLO CCOC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618823 344096223 /nfs/dbraw/zinc/09/62/23/344096223.db2.gz NOTZFJASEPRPCD-CQSZACIVSA-N 1 2 280.324 1.832 20 5 CDBDLO C[N@H+](CC(=O)N1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000298298399 282342277 /nfs/dbraw/zinc/34/22/77/282342277.db2.gz VGPFBQUCIBKTQJ-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO C[N@@H+](CC(=O)N1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000298298399 282342278 /nfs/dbraw/zinc/34/22/78/282342278.db2.gz VGPFBQUCIBKTQJ-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO CC[C@@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000293299068 362544820 /nfs/dbraw/zinc/54/48/20/362544820.db2.gz UUYJIWDZLPTMRU-CQSZACIVSA-N 1 2 296.323 1.905 20 5 CDBDLO Cc1c(C[N@@H+](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000051588502 345166245 /nfs/dbraw/zinc/16/62/45/345166245.db2.gz OSYABTKPUHJPLN-UHFFFAOYSA-N 1 2 265.313 1.423 20 5 CDBDLO Cc1c(C[N@H+](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000051588502 345166247 /nfs/dbraw/zinc/16/62/47/345166247.db2.gz OSYABTKPUHJPLN-UHFFFAOYSA-N 1 2 265.313 1.423 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052659991 345300308 /nfs/dbraw/zinc/30/03/08/345300308.db2.gz HDZCZBCFUQSKQX-UHFFFAOYSA-N 1 2 275.268 1.613 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O ZINC000618619947 345498823 /nfs/dbraw/zinc/49/88/23/345498823.db2.gz BKCWSYBCFYPHAF-SECBINFHSA-N 1 2 289.291 1.818 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000610277611 346241332 /nfs/dbraw/zinc/24/13/32/346241332.db2.gz KIQZZPOZIVKPGV-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000610277611 346241336 /nfs/dbraw/zinc/24/13/36/346241336.db2.gz KIQZZPOZIVKPGV-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000055170473 347839520 /nfs/dbraw/zinc/83/95/20/347839520.db2.gz JEDHYRACAILCLU-UHFFFAOYSA-N 1 2 299.290 1.543 20 5 CDBDLO Cc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000123897331 187114156 /nfs/dbraw/zinc/11/41/56/187114156.db2.gz JNIVUKJFSDGUOM-VIFPVBQESA-N 1 2 261.285 1.995 20 5 CDBDLO C[C@H]([NH2+]Cc1nncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000038007728 356609185 /nfs/dbraw/zinc/60/91/85/356609185.db2.gz DOUMIRSVWBCEOZ-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCOC1 ZINC000106883941 357284749 /nfs/dbraw/zinc/28/47/49/357284749.db2.gz HLXXMZVWPPLWAY-LBPRGKRZSA-N 1 2 293.323 1.562 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCOC1 ZINC000106883941 357284751 /nfs/dbraw/zinc/28/47/51/357284751.db2.gz HLXXMZVWPPLWAY-LBPRGKRZSA-N 1 2 293.323 1.562 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287066172 358090542 /nfs/dbraw/zinc/09/05/42/358090542.db2.gz URGXEYHFICLJSH-AWEZNQCLSA-N 1 2 298.314 1.770 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287066172 358090548 /nfs/dbraw/zinc/09/05/48/358090548.db2.gz URGXEYHFICLJSH-AWEZNQCLSA-N 1 2 298.314 1.770 20 5 CDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408162655 358224637 /nfs/dbraw/zinc/22/46/37/358224637.db2.gz YHFAKRONIPRJQA-NXEZZACHSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408162655 358224638 /nfs/dbraw/zinc/22/46/38/358224638.db2.gz YHFAKRONIPRJQA-NXEZZACHSA-N 1 2 293.323 1.465 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCNC1=O ZINC000340226651 359614502 /nfs/dbraw/zinc/61/45/02/359614502.db2.gz SAYVDUIDJPAAJA-LLVKDONJSA-N 1 2 267.260 1.054 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCNC1=O ZINC000340226651 359614507 /nfs/dbraw/zinc/61/45/07/359614507.db2.gz SAYVDUIDJPAAJA-LLVKDONJSA-N 1 2 267.260 1.054 20 5 CDBDLO CCC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000131547929 361104833 /nfs/dbraw/zinc/10/48/33/361104833.db2.gz DRYFQDMTANIQMW-GFCCVEGCSA-N 1 2 268.317 1.292 20 5 CDBDLO CCC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000131547929 361104838 /nfs/dbraw/zinc/10/48/38/361104838.db2.gz DRYFQDMTANIQMW-GFCCVEGCSA-N 1 2 268.317 1.292 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367603497 364001371 /nfs/dbraw/zinc/00/13/71/364001371.db2.gz LKHJZRATQFAPAX-LSDHHAIUSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367603497 364001372 /nfs/dbraw/zinc/00/13/72/364001372.db2.gz 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C[C@@H]1[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048362 375672624 /nfs/dbraw/zinc/67/26/24/375672624.db2.gz ZSMKCSHJXXDZKD-CHWSQXEVSA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048362 375672627 /nfs/dbraw/zinc/67/26/27/375672627.db2.gz ZSMKCSHJXXDZKD-CHWSQXEVSA-N 1 2 293.367 1.998 20 5 CDBDLO Cc1nn(C)c(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000354378152 375702950 /nfs/dbraw/zinc/70/29/50/375702950.db2.gz DPPPVDWNZBJPQH-UHFFFAOYSA-N 1 2 286.295 1.897 20 5 CDBDLO Cn1c(CCn2nccc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000428262929 247272572 /nfs/dbraw/zinc/27/25/72/247272572.db2.gz HGZHQBKLXBUCBO-UHFFFAOYSA-N 1 2 271.280 1.921 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000172887557 377787314 /nfs/dbraw/zinc/78/73/14/377787314.db2.gz RXOPHPZRLZKUAL-ZDUSSCGKSA-N 1 2 280.324 1.750 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000172887557 377787321 /nfs/dbraw/zinc/78/73/21/377787321.db2.gz 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CDBDLO Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218012564 941034831 /nfs/dbraw/zinc/03/48/31/941034831.db2.gz RQWLOKUDOZEMQY-JTQLQIEISA-N 1 2 273.239 1.553 20 5 CDBDLO CCc1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001303973086 956139905 /nfs/dbraw/zinc/13/99/05/956139905.db2.gz PJJPZABQGTZPMX-UHFFFAOYSA-N 1 2 288.307 1.739 20 5 CDBDLO CCc1[nH]cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001303973086 956139915 /nfs/dbraw/zinc/13/99/15/956139915.db2.gz PJJPZABQGTZPMX-UHFFFAOYSA-N 1 2 288.307 1.739 20 5 CDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](CF)C1 ZINC001331036435 956777715 /nfs/dbraw/zinc/77/77/15/956777715.db2.gz MHFRQRUBBWCTBG-VIFPVBQESA-N 1 2 295.270 1.752 20 5 CDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](CF)C1 ZINC001331036435 956777723 /nfs/dbraw/zinc/77/77/23/956777723.db2.gz MHFRQRUBBWCTBG-VIFPVBQESA-N 1 2 295.270 1.752 20 5 CDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1sccc1[N+](=O)[O-] ZINC000588070186 342492067 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C[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051688084 345169562 /nfs/dbraw/zinc/16/95/62/345169562.db2.gz LUWPWSPNHRZWCP-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051688084 345169566 /nfs/dbraw/zinc/16/95/66/345169566.db2.gz LUWPWSPNHRZWCP-LLVKDONJSA-N 1 2 266.297 1.694 20 5 CDBDLO Cc1cnc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610284110 346242636 /nfs/dbraw/zinc/24/26/36/346242636.db2.gz WZNRZPKRMJOKTF-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1cnc(NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610284110 346242639 /nfs/dbraw/zinc/24/26/39/346242639.db2.gz WZNRZPKRMJOKTF-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000063464899 347465712 /nfs/dbraw/zinc/46/57/12/347465712.db2.gz DHDJLCYRISGSDO-UHFFFAOYSA-N 1 2 288.307 1.920 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000128911498 187397944 /nfs/dbraw/zinc/39/79/44/187397944.db2.gz DLGKSQYXMDRFGE-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292210807 198203623 /nfs/dbraw/zinc/20/36/23/198203623.db2.gz MISOSCBVGRLBMA-LBPRGKRZSA-N 1 2 298.364 1.461 20 5 CDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292210807 198203624 /nfs/dbraw/zinc/20/36/24/198203624.db2.gz MISOSCBVGRLBMA-LBPRGKRZSA-N 1 2 298.364 1.461 20 5 CDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286491678 291068419 /nfs/dbraw/zinc/06/84/19/291068419.db2.gz XKMLDNJPWDCZFD-NWDGAFQWSA-N 1 2 292.339 1.289 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000380210417 357367321 /nfs/dbraw/zinc/36/73/21/357367321.db2.gz NNIUZEYOPXGWQZ-AATRIKPKSA-N 1 2 286.291 1.956 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000193975323 363592673 /nfs/dbraw/zinc/59/26/73/363592673.db2.gz SOUUOSHDHUDFCP-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC 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[NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000572418861 360839706 /nfs/dbraw/zinc/83/97/06/360839706.db2.gz HOVCUBKLSAOCMA-UHFFFAOYSA-N 1 2 293.323 1.501 20 5 CDBDLO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262467619 296029272 /nfs/dbraw/zinc/02/92/72/296029272.db2.gz XYODVKGCYQCKGD-SCZZXKLOSA-N 1 2 279.296 1.110 20 5 CDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000581078249 363964504 /nfs/dbraw/zinc/96/45/04/363964504.db2.gz RUVGRBZRYCZKJW-UHFFFAOYSA-N 1 2 277.284 1.322 20 5 CDBDLO C[NH2+]Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000414507064 241237378 /nfs/dbraw/zinc/23/73/78/241237378.db2.gz XTGBYRCKRODYBE-UHFFFAOYSA-N 1 2 291.311 1.742 20 5 CDBDLO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1OC ZINC000276793210 370119690 /nfs/dbraw/zinc/11/96/90/370119690.db2.gz BRUDHRNWEOTKNR-BETUJISGSA-N 1 2 284.287 1.580 20 5 CDBDLO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1OC ZINC000276793210 370119695 /nfs/dbraw/zinc/11/96/95/370119695.db2.gz BRUDHRNWEOTKNR-BETUJISGSA-N 1 2 284.287 1.580 20 5 CDBDLO C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068050428 374454746 /nfs/dbraw/zinc/45/47/46/374454746.db2.gz OEFFKQSWLGHYED-UHFFFAOYSA-N 1 2 255.299 1.044 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000353153881 375582212 /nfs/dbraw/zinc/58/22/12/375582212.db2.gz AYCLAUADGFYQNX-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000428000400 247226977 /nfs/dbraw/zinc/22/69/77/247226977.db2.gz JSYTUAAQMMWXKA-NSHDSACASA-N 1 2 286.291 1.536 20 5 CDBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1[nH]cc[nH+]1 ZINC000140489057 376811070 /nfs/dbraw/zinc/81/10/70/376811070.db2.gz PIICEJMOKDURJU-VIFPVBQESA-N 1 2 277.284 1.538 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc[nH+]c1 ZINC000073172191 376831033 /nfs/dbraw/zinc/83/10/33/376831033.db2.gz XKORNZJMXRNKQD-UHFFFAOYSA-N 1 2 260.253 1.738 20 5 CDBDLO Cc1cccc2[nH+]c(CNc3c([N+](=O)[O-])ncn3C)cn21 ZINC000345207488 377569276 /nfs/dbraw/zinc/56/92/76/377569276.db2.gz QNGSYDPKFVAJFG-UHFFFAOYSA-N 1 2 286.295 1.897 20 5 CDBDLO COC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172894750 377789339 /nfs/dbraw/zinc/78/93/39/377789339.db2.gz SKYCUINOXJKWRA-AWEZNQCLSA-N 1 2 296.323 1.321 20 5 CDBDLO COC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172894750 377789345 /nfs/dbraw/zinc/78/93/45/377789345.db2.gz SKYCUINOXJKWRA-AWEZNQCLSA-N 1 2 296.323 1.321 20 5 CDBDLO COCCOCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000289033540 197218301 /nfs/dbraw/zinc/21/83/01/197218301.db2.gz PAKDBHMIGSPHKF-UHFFFAOYSA-N 1 2 274.342 1.751 20 5 CDBDLO COCCOCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000289033540 197218303 /nfs/dbraw/zinc/21/83/03/197218303.db2.gz PAKDBHMIGSPHKF-UHFFFAOYSA-N 1 2 274.342 1.751 20 5 CDBDLO Cc1cc(N2CC[NH+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000290911172 391567851 /nfs/dbraw/zinc/56/78/51/391567851.db2.gz GHXFQSVFSQRVEN-UHFFFAOYSA-N 1 2 283.303 1.157 20 5 CDBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC000189782304 130021580 /nfs/dbraw/zinc/02/15/80/130021580.db2.gz WDBVWQBHJWUFNG-IUCAKERBSA-N 1 2 276.300 1.530 20 5 CDBDLO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262413827 131219317 /nfs/dbraw/zinc/21/93/17/131219317.db2.gz QUTSUXQAZOYGJK-DTWKUNHWSA-N 1 2 279.296 1.123 20 5 CDBDLO CCCCNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131283802 393018396 /nfs/dbraw/zinc/01/83/96/393018396.db2.gz ZMMYJOXHDJFVCR-UHFFFAOYSA-N 1 2 291.351 1.869 20 5 CDBDLO CCCCNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131283802 393018406 /nfs/dbraw/zinc/01/84/06/393018406.db2.gz ZMMYJOXHDJFVCR-UHFFFAOYSA-N 1 2 291.351 1.869 20 5 CDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000332614212 393154149 /nfs/dbraw/zinc/15/41/49/393154149.db2.gz LBKAWOZACVVTFK-UHFFFAOYSA-N 1 2 287.279 1.151 20 5 CDBDLO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581774 140241430 /nfs/dbraw/zinc/24/14/30/140241430.db2.gz YRUFMUBVHIZWNW-MRVPVSSYSA-N 1 2 297.336 1.334 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000359681844 158334367 /nfs/dbraw/zinc/33/43/67/158334367.db2.gz MEWHYXVYGLRIKA-UHFFFAOYSA-N 1 2 285.263 1.729 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000359681844 158334368 /nfs/dbraw/zinc/33/43/68/158334368.db2.gz MEWHYXVYGLRIKA-UHFFFAOYSA-N 1 2 285.263 1.729 20 5 CDBDLO COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])cc1F ZINC000362320745 159120647 /nfs/dbraw/zinc/12/06/47/159120647.db2.gz MXSBGGGIUYGNLR-SNVBAGLBSA-N 1 2 297.286 1.063 20 5 CDBDLO COc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])cc1F ZINC000362320745 159120648 /nfs/dbraw/zinc/12/06/48/159120648.db2.gz MXSBGGGIUYGNLR-SNVBAGLBSA-N 1 2 297.286 1.063 20 5 CDBDLO Cc1cc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000035277379 172097497 /nfs/dbraw/zinc/09/74/97/172097497.db2.gz JMQHIALCVRDKSJ-UHFFFAOYSA-N 1 2 265.313 1.647 20 5 CDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286265552 279955525 /nfs/dbraw/zinc/95/55/25/279955525.db2.gz GYPAUJBQULYBPR-VHSXEESVSA-N 1 2 298.368 1.351 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000522275551 281095957 /nfs/dbraw/zinc/09/59/57/281095957.db2.gz LVIJRVOSQNOWHJ-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000522275551 281095959 /nfs/dbraw/zinc/09/59/59/281095959.db2.gz LVIJRVOSQNOWHJ-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO Nc1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000285646971 295353922 /nfs/dbraw/zinc/35/39/22/295353922.db2.gz OAEXMFLIRABKCV-UHFFFAOYSA-N 1 2 299.334 1.899 20 5 CDBDLO O=C1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000246581435 527005141 /nfs/dbraw/zinc/00/51/41/527005141.db2.gz LQJRCPYTIYBDCB-TZMCWYRMSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000246581435 527005147 /nfs/dbraw/zinc/00/51/47/527005147.db2.gz LQJRCPYTIYBDCB-TZMCWYRMSA-N 1 2 289.335 1.838 20 5 CDBDLO Cn1c[nH+]cc1CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000337902196 527510625 /nfs/dbraw/zinc/51/06/25/527510625.db2.gz RCTJJVXGWBNWQY-UHFFFAOYSA-N 1 2 281.293 1.302 20 5 CDBDLO CC[N@H+](CC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000751479528 577045103 /nfs/dbraw/zinc/04/51/03/577045103.db2.gz QODNZQXSSYMZHW-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO CC[N@@H+](CC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000751479528 577045104 /nfs/dbraw/zinc/04/51/04/577045104.db2.gz QODNZQXSSYMZHW-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000895805769 619853942 /nfs/dbraw/zinc/85/39/42/619853942.db2.gz WTDZTDUTNFDUOX-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO COc1c2ccccc2oc1C[NH2+]CC[N+](=O)[O-] ZINC000905230505 626685029 /nfs/dbraw/zinc/68/50/29/626685029.db2.gz NEKGJERBYSXBAU-UHFFFAOYSA-N 1 2 250.254 1.808 20 5 CDBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1C[NH+](C(C)C)C1 ZINC001157532758 1162159215 /nfs/dbraw/zinc/15/92/15/1162159215.db2.gz YYXGXWMIKZOTJI-UHFFFAOYSA-N 1 2 266.301 1.041 20 5 CDBDLO Cn1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000809973157 791244106 /nfs/dbraw/zinc/24/41/06/791244106.db2.gz UPLRGXACUNVHMM-UHFFFAOYSA-N 1 2 275.312 1.748 20 5 CDBDLO O=C(C[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581692 791926639 /nfs/dbraw/zinc/92/66/39/791926639.db2.gz WOWVCUVJGLKXLW-QMMMGPOBSA-N 1 2 265.269 1.239 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000135484610 793360177 /nfs/dbraw/zinc/36/01/77/793360177.db2.gz IOIWJLSDLZIGRO-UHFFFAOYSA-N 1 2 294.698 1.944 20 5 CDBDLO C[C@H]1C[NH+](Cn2nccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000863275387 795662123 /nfs/dbraw/zinc/66/21/23/795662123.db2.gz TUFPMLRXEQIYTF-IUCAKERBSA-N 1 2 274.271 1.972 20 5 CDBDLO O=C(NC1C[NH+](CCCC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294135 796212988 /nfs/dbraw/zinc/21/29/88/796212988.db2.gz XYBUKSMQEXFWEB-CHWSQXEVSA-N 1 2 281.356 1.032 20 5 CDBDLO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001120809194 912545860 /nfs/dbraw/zinc/54/58/60/912545860.db2.gz LCFBLTNHNVWWBJ-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001120809194 912545876 /nfs/dbraw/zinc/54/58/76/912545876.db2.gz LCFBLTNHNVWWBJ-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cc([N+](=O)[O-])cc(NC[C@@H]2C[N@H+](C)CCO2)c1F ZINC001162689384 922892224 /nfs/dbraw/zinc/89/22/24/922892224.db2.gz FESASWIUMRCNNR-LLVKDONJSA-N 1 2 283.303 1.785 20 5 CDBDLO Cc1cc([N+](=O)[O-])cc(NC[C@@H]2C[N@@H+](C)CCO2)c1F ZINC001162689384 922892236 /nfs/dbraw/zinc/89/22/36/922892236.db2.gz FESASWIUMRCNNR-LLVKDONJSA-N 1 2 283.303 1.785 20 5 CDBDLO [NH3+][C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)F ZINC001121888066 937887051 /nfs/dbraw/zinc/88/70/51/937887051.db2.gz PNAWZSXCYMDABR-VIFPVBQESA-N 1 2 287.266 1.236 20 5 CDBDLO C[N@@H+]1CCOC[C@@H]1CNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158707983 938653376 /nfs/dbraw/zinc/65/33/76/938653376.db2.gz WERLJTRMGKNRBR-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@@H]1CNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158707983 938653377 /nfs/dbraw/zinc/65/33/77/938653377.db2.gz WERLJTRMGKNRBR-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO COc1cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC001162688693 939117759 /nfs/dbraw/zinc/11/77/59/939117759.db2.gz SHPYMOUVALZMAE-SECBINFHSA-N 1 2 299.302 1.485 20 5 CDBDLO COc1cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC001162688693 939117762 /nfs/dbraw/zinc/11/77/62/939117762.db2.gz SHPYMOUVALZMAE-SECBINFHSA-N 1 2 299.302 1.485 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747816 942061864 /nfs/dbraw/zinc/06/18/64/942061864.db2.gz FHGDWURKUYDDJP-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747816 942061868 /nfs/dbraw/zinc/06/18/68/942061868.db2.gz FHGDWURKUYDDJP-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001227188447 942146450 /nfs/dbraw/zinc/14/64/50/942146450.db2.gz UOFMBMBPDGTETQ-LLVKDONJSA-N 1 2 282.296 1.313 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001227188447 942146452 /nfs/dbraw/zinc/14/64/52/942146452.db2.gz UOFMBMBPDGTETQ-LLVKDONJSA-N 1 2 282.296 1.313 20 5 CDBDLO C[NH+](C)Cc1nnc(CCOc2ccccc2[N+](=O)[O-])o1 ZINC001326986312 954650756 /nfs/dbraw/zinc/65/07/56/954650756.db2.gz CSBJJFDUAJXPJJ-UHFFFAOYSA-N 1 2 292.295 1.661 20 5 CDBDLO Cc1ccc(C[NH2+][C@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC001308136376 956475925 /nfs/dbraw/zinc/47/59/25/956475925.db2.gz VDWJDXPLHBTZFR-SECBINFHSA-N 1 2 276.300 1.278 20 5 CDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC001331049703 956787571 /nfs/dbraw/zinc/78/75/71/956787571.db2.gz KTNACDCSCJTREM-JTQLQIEISA-N 1 2 256.281 1.739 20 5 CDBDLO Cc1nn(C[N@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC001331049703 956787582 /nfs/dbraw/zinc/78/75/82/956787582.db2.gz KTNACDCSCJTREM-JTQLQIEISA-N 1 2 256.281 1.739 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1ccncc1Br ZINC001338506819 961844466 /nfs/dbraw/zinc/84/44/66/961844466.db2.gz SRMMLAKHHWSFHV-UHFFFAOYSA-N 1 2 260.091 1.210 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131009 342091415 /nfs/dbraw/zinc/09/14/15/342091415.db2.gz GASBKVHKVSKHEU-SNVBAGLBSA-N 1 2 289.295 1.597 20 5 CDBDLO C[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000310329699 342106088 /nfs/dbraw/zinc/10/60/88/342106088.db2.gz ZUNCVFUHQNQEAB-UHFFFAOYSA-N 1 2 256.693 1.395 20 5 CDBDLO CCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000173994710 529598219 /nfs/dbraw/zinc/59/82/19/529598219.db2.gz BKGQLMOMDCOFNE-UHFFFAOYSA-N 1 2 277.324 1.545 20 5 CDBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295945 343026511 /nfs/dbraw/zinc/02/65/11/343026511.db2.gz IFPYGAOSIJQLAN-UHFFFAOYSA-N 1 2 283.303 1.644 20 5 CDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295945 343026513 /nfs/dbraw/zinc/02/65/13/343026513.db2.gz IFPYGAOSIJQLAN-UHFFFAOYSA-N 1 2 283.303 1.644 20 5 CDBDLO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436990841 362247904 /nfs/dbraw/zinc/24/79/04/362247904.db2.gz SQLMVUSKLZNVCU-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO COc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000140881351 346958802 /nfs/dbraw/zinc/95/88/02/346958802.db2.gz WICXVAAXAXHXRT-MRVPVSSYSA-N 1 2 290.279 1.818 20 5 CDBDLO COCCOCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344100376 362550842 /nfs/dbraw/zinc/55/08/42/362550842.db2.gz BQGDQSAXXICKDA-UHFFFAOYSA-N 1 2 286.303 1.829 20 5 CDBDLO COCCOCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344100376 362550846 /nfs/dbraw/zinc/55/08/46/362550846.db2.gz BQGDQSAXXICKDA-UHFFFAOYSA-N 1 2 286.303 1.829 20 5 CDBDLO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610615572 346323311 /nfs/dbraw/zinc/32/33/11/346323311.db2.gz RHANFOOYWCZWPS-LLVKDONJSA-N 1 2 293.323 1.644 20 5 CDBDLO COC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610615572 346323314 /nfs/dbraw/zinc/32/33/14/346323314.db2.gz RHANFOOYWCZWPS-LLVKDONJSA-N 1 2 293.323 1.644 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2sccc2[N+](=O)[O-])CCO1 ZINC000611412418 346779995 /nfs/dbraw/zinc/77/99/95/346779995.db2.gz YAPUJTJWJAYXBQ-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2sccc2[N+](=O)[O-])CCO1 ZINC000611412418 346779999 /nfs/dbraw/zinc/77/99/99/346779999.db2.gz YAPUJTJWJAYXBQ-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO Cn1ncnc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000611402646 346782420 /nfs/dbraw/zinc/78/24/20/346782420.db2.gz BNDQGXRFKIKUGJ-UHFFFAOYSA-N 1 2 275.312 1.748 20 5 CDBDLO O=C(NCCNc1cccc[nH+]1)c1csc([N+](=O)[O-])c1 ZINC000063704566 348928949 /nfs/dbraw/zinc/92/89/49/348928949.db2.gz NDSYPIRLNFWQQB-UHFFFAOYSA-N 1 2 292.320 1.893 20 5 CDBDLO Cn1ccnc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153428460 188081710 /nfs/dbraw/zinc/08/17/10/188081710.db2.gz WAGGFFVWXKHWHC-ZDUSSCGKSA-N 1 2 290.323 1.494 20 5 CDBDLO Cn1ccnc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153428460 188081711 /nfs/dbraw/zinc/08/17/11/188081711.db2.gz WAGGFFVWXKHWHC-ZDUSSCGKSA-N 1 2 290.323 1.494 20 5 CDBDLO C[C@@H]([NH2+]Cc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000038007670 356609234 /nfs/dbraw/zinc/60/92/34/356609234.db2.gz PMLSTDKRCQJTCH-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[NH2+]C1 ZINC000261983078 299247369 /nfs/dbraw/zinc/24/73/69/299247369.db2.gz IQSKWFXAAUSOHZ-ONGXEEELSA-N 1 2 293.323 1.418 20 5 CDBDLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000070978928 357178004 /nfs/dbraw/zinc/17/80/04/357178004.db2.gz NLNUMWVIWNGWED-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360664661 357665011 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CDBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051471698 358834411 /nfs/dbraw/zinc/83/44/11/358834411.db2.gz WSMUTJKZBFCAPR-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO COc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000135483112 358958560 /nfs/dbraw/zinc/95/85/60/358958560.db2.gz UBCOQYOMFTXBQW-UHFFFAOYSA-N 1 2 290.279 1.299 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000302736220 359146635 /nfs/dbraw/zinc/14/66/35/359146635.db2.gz DQAYCSJTWATMHE-LLVKDONJSA-N 1 2 279.296 1.053 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000302736220 359146643 /nfs/dbraw/zinc/14/66/43/359146643.db2.gz DQAYCSJTWATMHE-LLVKDONJSA-N 1 2 279.296 1.053 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000338670418 359155145 /nfs/dbraw/zinc/15/51/45/359155145.db2.gz GPGDZEANGNFWNE-UHFFFAOYSA-N 1 2 262.269 1.963 20 5 CDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000339468964 359404549 /nfs/dbraw/zinc/40/45/49/359404549.db2.gz TUFZGLJBKLONDZ-SECBINFHSA-N 1 2 289.295 1.286 20 5 CDBDLO Cc1[nH]c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000340428263 360704549 /nfs/dbraw/zinc/70/45/49/360704549.db2.gz AVILMFYQFFDMFB-UHFFFAOYSA-N 1 2 274.280 1.599 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000367572195 363967393 /nfs/dbraw/zinc/96/73/93/363967393.db2.gz DDVJSHJMWBLIRK-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000367572195 363967396 /nfs/dbraw/zinc/96/73/96/363967396.db2.gz DDVJSHJMWBLIRK-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000367572196 363967483 /nfs/dbraw/zinc/96/74/83/363967483.db2.gz DDVJSHJMWBLIRK-LSDHHAIUSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000367572196 363967487 /nfs/dbraw/zinc/96/74/87/363967487.db2.gz DDVJSHJMWBLIRK-LSDHHAIUSA-N 1 2 292.335 1.975 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccnn1C ZINC000348362595 367222074 /nfs/dbraw/zinc/22/20/74/367222074.db2.gz CCYLDBXQWNVYIG-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccnn1C ZINC000348362595 367222079 /nfs/dbraw/zinc/22/20/79/367222079.db2.gz CCYLDBXQWNVYIG-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000170689759 368511831 /nfs/dbraw/zinc/51/18/31/368511831.db2.gz CXUOHMQWFGYSDC-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000170689759 368511837 /nfs/dbraw/zinc/51/18/37/368511837.db2.gz CXUOHMQWFGYSDC-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1C ZINC000276132270 296151483 /nfs/dbraw/zinc/15/14/83/296151483.db2.gz BLHASTZALYLZNP-DTWKUNHWSA-N 1 2 276.300 1.530 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000368053574 371496063 /nfs/dbraw/zinc/49/60/63/371496063.db2.gz ANXMIRASIAWRTI-RYUDHWBXSA-N 1 2 294.355 1.718 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000368053574 371496068 /nfs/dbraw/zinc/49/60/68/371496068.db2.gz ANXMIRASIAWRTI-RYUDHWBXSA-N 1 2 294.355 1.718 20 5 CDBDLO CCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000015295066 371774583 /nfs/dbraw/zinc/77/45/83/371774583.db2.gz LMFZKDWSBWKQIF-UHFFFAOYSA-N 1 2 265.313 1.553 20 5 CDBDLO CCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000015295066 371774591 /nfs/dbraw/zinc/77/45/91/371774591.db2.gz LMFZKDWSBWKQIF-UHFFFAOYSA-N 1 2 265.313 1.553 20 5 CDBDLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000114338630 374305409 /nfs/dbraw/zinc/30/54/09/374305409.db2.gz ROEYOWHINFBDLS-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO Cn1cc[nH+]c1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589988 374526679 /nfs/dbraw/zinc/52/66/79/374526679.db2.gz VTPZTUYGZFPYGS-UHFFFAOYSA-N 1 2 284.279 1.884 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncn(C)n1 ZINC000344805622 375455631 /nfs/dbraw/zinc/45/56/31/375455631.db2.gz FCNBLFYWVGZSAP-WDZFZDKYSA-N 1 2 287.323 1.916 20 5 CDBDLO O=c1ccc([N+](=O)[O-])cn1Cc1[nH]c2ccccc2[nH+]1 ZINC000058179245 375681229 /nfs/dbraw/zinc/68/12/29/375681229.db2.gz NDKBHTLAXNCCGB-UHFFFAOYSA-N 1 2 270.248 1.681 20 5 CDBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351731898 377912628 /nfs/dbraw/zinc/91/26/28/377912628.db2.gz YLDCWNSJBSDAMJ-VXNVDRBHSA-N 1 2 272.251 1.828 20 5 CDBDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351731898 377912634 /nfs/dbraw/zinc/91/26/34/377912634.db2.gz YLDCWNSJBSDAMJ-VXNVDRBHSA-N 1 2 272.251 1.828 20 5 CDBDLO Cn1c[nH+]cc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357609235 378533755 /nfs/dbraw/zinc/53/37/55/378533755.db2.gz PPCGQWPCXUWNNO-UHFFFAOYSA-N 1 2 275.268 1.039 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000492806937 253299456 /nfs/dbraw/zinc/29/94/56/253299456.db2.gz AFRWYAHKNRGUPL-SNAWJCMRSA-N 1 2 272.264 1.648 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000303386883 285155786 /nfs/dbraw/zinc/15/57/86/285155786.db2.gz AVGIFRPBXBLBSW-SECBINFHSA-N 1 2 254.261 1.691 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000303386883 285155791 /nfs/dbraw/zinc/15/57/91/285155791.db2.gz AVGIFRPBXBLBSW-SECBINFHSA-N 1 2 254.261 1.691 20 5 CDBDLO O=C(C[N@H+]1CCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000049751240 390806039 /nfs/dbraw/zinc/80/60/39/390806039.db2.gz SWUHRBOVVKEYGP-NSHDSACASA-N 1 2 293.323 1.380 20 5 CDBDLO O=C(C[N@@H+]1CCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000049751240 390806042 /nfs/dbraw/zinc/80/60/42/390806042.db2.gz SWUHRBOVVKEYGP-NSHDSACASA-N 1 2 293.323 1.380 20 5 CDBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413216155 391178570 /nfs/dbraw/zinc/17/85/70/391178570.db2.gz BTZJJAGBUMBLJM-NOZJJQNGSA-N 1 2 273.292 1.960 20 5 CDBDLO CN1C[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000496536682 391923208 /nfs/dbraw/zinc/92/32/08/391923208.db2.gz VMHKAUOATMJDOL-NSHDSACASA-N 1 2 279.296 1.477 20 5 CDBDLO CN1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000496536682 391923211 /nfs/dbraw/zinc/92/32/11/391923211.db2.gz VMHKAUOATMJDOL-NSHDSACASA-N 1 2 279.296 1.477 20 5 CDBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000416307384 391984869 /nfs/dbraw/zinc/98/48/69/391984869.db2.gz KNDFIYYPILJZOI-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO COC(=O)C1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425370637 393022308 /nfs/dbraw/zinc/02/23/08/393022308.db2.gz DKSJWMZLQADOTI-UHFFFAOYSA-N 1 2 264.281 1.590 20 5 CDBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000132225679 393092057 /nfs/dbraw/zinc/09/20/57/393092057.db2.gz NRAPYTNRPPABMI-GFCCVEGCSA-N 1 2 293.323 1.370 20 5 CDBDLO O=C(CCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000218152587 140165075 /nfs/dbraw/zinc/16/50/75/140165075.db2.gz CBQVOCHXWKBNPH-UHFFFAOYSA-N 1 2 276.252 1.526 20 5 CDBDLO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000262064879 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20 5 CDBDLO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602763072 344584508 /nfs/dbraw/zinc/58/45/08/344584508.db2.gz MEUROYMUEJARSR-NSHDSACASA-N 1 2 268.317 1.211 20 5 CDBDLO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602763072 344584510 /nfs/dbraw/zinc/58/45/10/344584510.db2.gz MEUROYMUEJARSR-NSHDSACASA-N 1 2 268.317 1.211 20 5 CDBDLO CO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000602896024 344652802 /nfs/dbraw/zinc/65/28/02/344652802.db2.gz HOBKUMRWPHGKPT-ZDUSSCGKSA-N 1 2 282.296 1.278 20 5 CDBDLO CO[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000602896024 344652804 /nfs/dbraw/zinc/65/28/04/344652804.db2.gz HOBKUMRWPHGKPT-ZDUSSCGKSA-N 1 2 282.296 1.278 20 5 CDBDLO C[NH2+]Cc1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000414496141 290734624 /nfs/dbraw/zinc/73/46/24/290734624.db2.gz CXPRLXLUWXNWKV-UHFFFAOYSA-N 1 2 277.284 1.334 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000539364700 282453117 /nfs/dbraw/zinc/45/31/17/282453117.db2.gz MMNRMJJJAIZFSN-UHFFFAOYSA-N 1 2 287.279 1.880 20 5 CDBDLO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000614006578 347962092 /nfs/dbraw/zinc/96/20/92/347962092.db2.gz ASDLKBQAPVQJQY-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000614006578 347962094 /nfs/dbraw/zinc/96/20/94/347962094.db2.gz ASDLKBQAPVQJQY-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000073527587 349168216 /nfs/dbraw/zinc/16/82/16/349168216.db2.gz BAFPGIYQNCWQDC-UHFFFAOYSA-N 1 2 289.291 1.825 20 5 CDBDLO O=[N+]([O-])c1ncccc1NCC1([NH+]2CCOCC2)CC1 ZINC000617975200 349368890 /nfs/dbraw/zinc/36/88/90/349368890.db2.gz ZYBVXOVPQVUSMJ-UHFFFAOYSA-N 1 2 278.312 1.267 20 5 CDBDLO COc1cc(N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000107039922 186156211 /nfs/dbraw/zinc/15/62/11/186156211.db2.gz MLDOKCRVYVLWAV-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO Cc1c[nH+]ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000107286081 186165882 /nfs/dbraw/zinc/16/58/82/186165882.db2.gz CDRPHLPHLNURDT-UHFFFAOYSA-N 1 2 275.268 1.524 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093819938 351349551 /nfs/dbraw/zinc/34/95/51/351349551.db2.gz GXRRDMPBVZHTJW-AWEZNQCLSA-N 1 2 278.308 1.913 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093819938 351349555 /nfs/dbraw/zinc/34/95/55/351349555.db2.gz GXRRDMPBVZHTJW-AWEZNQCLSA-N 1 2 278.308 1.913 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCO1 ZINC000157033828 351583050 /nfs/dbraw/zinc/58/30/50/351583050.db2.gz OXQHFNUAPTVKJJ-IUCAKERBSA-N 1 2 299.352 1.105 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157033828 351583054 /nfs/dbraw/zinc/58/30/54/351583054.db2.gz OXQHFNUAPTVKJJ-IUCAKERBSA-N 1 2 299.352 1.105 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCCOCc1[nH]cc[nH+]1 ZINC000123825551 187110442 /nfs/dbraw/zinc/11/04/42/187110442.db2.gz MSOGGNMNFBGJGT-UHFFFAOYSA-N 1 2 263.253 1.914 20 5 CDBDLO NC(=O)[C@@H]1CSCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000271519324 191189700 /nfs/dbraw/zinc/18/97/00/191189700.db2.gz GSFRNFFFYFZAIC-LBPRGKRZSA-N 1 2 295.364 1.040 20 5 CDBDLO NC(=O)[C@@H]1CSCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000271519324 191189703 /nfs/dbraw/zinc/18/97/03/191189703.db2.gz GSFRNFFFYFZAIC-LBPRGKRZSA-N 1 2 295.364 1.040 20 5 CDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000292250910 198219264 /nfs/dbraw/zinc/21/92/64/198219264.db2.gz OUCMOBQZWASGBS-LBPRGKRZSA-N 1 2 298.364 1.461 20 5 CDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000292250910 198219266 /nfs/dbraw/zinc/21/92/66/198219266.db2.gz OUCMOBQZWASGBS-LBPRGKRZSA-N 1 2 298.364 1.461 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000164867473 356305220 /nfs/dbraw/zinc/30/52/20/356305220.db2.gz ZSRRQEJZBNKTGC-UHFFFAOYSA-N 1 2 290.279 1.599 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1c[nH+]c[nH]1 ZINC000134856171 356428400 /nfs/dbraw/zinc/42/84/00/356428400.db2.gz WGUZYZOPRSPQAX-UHFFFAOYSA-N 1 2 260.253 1.177 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1c[nH]c[nH+]1 ZINC000134856171 356428406 /nfs/dbraw/zinc/42/84/06/356428406.db2.gz WGUZYZOPRSPQAX-UHFFFAOYSA-N 1 2 260.253 1.177 20 5 CDBDLO COc1cccc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134902667 356453714 /nfs/dbraw/zinc/45/37/14/356453714.db2.gz VOPHYAASBAMUEN-UHFFFAOYSA-N 1 2 281.312 1.348 20 5 CDBDLO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262231951 357560007 /nfs/dbraw/zinc/56/00/07/357560007.db2.gz QMUXIRCRTDMWRM-SNVBAGLBSA-N 1 2 293.323 1.372 20 5 CDBDLO Cc1nc(N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000133146089 358599026 /nfs/dbraw/zinc/59/90/26/358599026.db2.gz LJASTRJRBKJEST-JTQLQIEISA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1c(C[N@@H+]2CCNC(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000104073623 358945128 /nfs/dbraw/zinc/94/51/28/358945128.db2.gz WCFLADRKJQSQEJ-UHFFFAOYSA-N 1 2 277.324 1.614 20 5 CDBDLO Cc1c(C[N@H+]2CCNC(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000104073623 358945130 /nfs/dbraw/zinc/94/51/30/358945130.db2.gz WCFLADRKJQSQEJ-UHFFFAOYSA-N 1 2 277.324 1.614 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOCC23CCC3)c1 ZINC000135496166 359021274 /nfs/dbraw/zinc/02/12/74/359021274.db2.gz JKBQDAVCZWPZDI-UHFFFAOYSA-N 1 2 266.301 1.046 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOCC23CCC3)c1 ZINC000135496166 359021278 /nfs/dbraw/zinc/02/12/78/359021278.db2.gz JKBQDAVCZWPZDI-UHFFFAOYSA-N 1 2 266.301 1.046 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1CO ZINC000338908359 359213076 /nfs/dbraw/zinc/21/30/76/359213076.db2.gz RREUBAVBIYPLJZ-NSHDSACASA-N 1 2 266.297 1.647 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1CO ZINC000338908359 359213084 /nfs/dbraw/zinc/21/30/84/359213084.db2.gz RREUBAVBIYPLJZ-NSHDSACASA-N 1 2 266.297 1.647 20 5 CDBDLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339132679 359296546 /nfs/dbraw/zinc/29/65/46/359296546.db2.gz JTKXIKQSMWLJQQ-UWVGGRQHSA-N 1 2 266.297 1.503 20 5 CDBDLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339132679 359296548 /nfs/dbraw/zinc/29/65/48/359296548.db2.gz JTKXIKQSMWLJQQ-UWVGGRQHSA-N 1 2 266.297 1.503 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250391 237273346 /nfs/dbraw/zinc/27/33/46/237273346.db2.gz AFANQGQTGLRQQF-JTQLQIEISA-N 1 2 286.291 1.992 20 5 CDBDLO CCc1nnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000295604942 360919669 /nfs/dbraw/zinc/91/96/69/360919669.db2.gz DELBWAMQFFENIF-UHFFFAOYSA-N 1 2 261.285 1.565 20 5 CDBDLO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@H]12 ZINC000248627302 361717232 /nfs/dbraw/zinc/71/72/32/361717232.db2.gz OJBXTDBTMUYVKS-GARJFASQSA-N 1 2 291.307 1.110 20 5 CDBDLO C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1n1cc[nH+]c1 ZINC000268290212 364617051 /nfs/dbraw/zinc/61/70/51/364617051.db2.gz UOAJFYGIPQPPRB-MNOVXSKESA-N 1 2 290.327 1.612 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249586700 364921951 /nfs/dbraw/zinc/92/19/51/364921951.db2.gz UCRLDTAWWTXKNY-GXFFZTMASA-N 1 2 277.324 1.681 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249586700 364921954 /nfs/dbraw/zinc/92/19/54/364921954.db2.gz UCRLDTAWWTXKNY-GXFFZTMASA-N 1 2 277.324 1.681 20 5 CDBDLO CCOc1cc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000111045956 365389668 /nfs/dbraw/zinc/38/96/68/365389668.db2.gz LIIGQBQEWWVAHA-UHFFFAOYSA-N 1 2 295.339 1.738 20 5 CDBDLO C[NH2+]Cc1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000414650866 241299382 /nfs/dbraw/zinc/29/93/82/241299382.db2.gz YNWICZJRGOBSHP-WDEREUQCSA-N 1 2 274.280 1.968 20 5 CDBDLO COc1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000330850071 203310552 /nfs/dbraw/zinc/31/05/52/203310552.db2.gz PKLNFCNUXVAVLB-NSHDSACASA-N 1 2 298.364 1.513 20 5 CDBDLO COc1ccc(C[N@H+]2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000330850071 203310554 /nfs/dbraw/zinc/31/05/54/203310554.db2.gz PKLNFCNUXVAVLB-NSHDSACASA-N 1 2 298.364 1.513 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089151875 370127695 /nfs/dbraw/zinc/12/76/95/370127695.db2.gz GBPZHDUINXNPAM-GJZGRUSLSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089151875 370127700 /nfs/dbraw/zinc/12/77/00/370127700.db2.gz GBPZHDUINXNPAM-GJZGRUSLSA-N 1 2 292.335 1.975 20 5 CDBDLO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179487955 372284302 /nfs/dbraw/zinc/28/43/02/372284302.db2.gz LIRWGTPSPLNAIW-SNVBAGLBSA-N 1 2 293.323 1.372 20 5 CDBDLO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179487955 372284306 /nfs/dbraw/zinc/28/43/06/372284306.db2.gz LIRWGTPSPLNAIW-SNVBAGLBSA-N 1 2 293.323 1.372 20 5 CDBDLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000272929690 372426639 /nfs/dbraw/zinc/42/66/39/372426639.db2.gz VDSPVEVDXWOWDA-MFKMUULPSA-N 1 2 293.323 1.103 20 5 CDBDLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000272929690 372426644 /nfs/dbraw/zinc/42/66/44/372426644.db2.gz VDSPVEVDXWOWDA-MFKMUULPSA-N 1 2 293.323 1.103 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000543408789 372775092 /nfs/dbraw/zinc/77/50/92/372775092.db2.gz IFNRTLMETNQETG-UHFFFAOYSA-N 1 2 274.280 1.301 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000118400787 374657790 /nfs/dbraw/zinc/65/77/90/374657790.db2.gz SHFYMQYIEDRWCS-LLVKDONJSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000118400787 374657797 /nfs/dbraw/zinc/65/77/97/374657797.db2.gz SHFYMQYIEDRWCS-LLVKDONJSA-N 1 2 293.323 1.298 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277495676 374789866 /nfs/dbraw/zinc/78/98/66/374789866.db2.gz NRKUEBCIUBLUAR-JEOXALJRSA-N 1 2 282.365 1.795 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277495676 374789869 /nfs/dbraw/zinc/78/98/69/374789869.db2.gz NRKUEBCIUBLUAR-JEOXALJRSA-N 1 2 282.365 1.795 20 5 CDBDLO Cn1cnnc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204462 374835137 /nfs/dbraw/zinc/83/51/37/374835137.db2.gz GZHSSLNMAVGKPT-CYBMUJFWSA-N 1 2 287.323 1.891 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000282597782 375095162 /nfs/dbraw/zinc/09/51/62/375095162.db2.gz XQDDIRLXFATOJV-PWSUYJOCSA-N 1 2 298.314 1.970 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000282597782 375095166 /nfs/dbraw/zinc/09/51/66/375095166.db2.gz XQDDIRLXFATOJV-PWSUYJOCSA-N 1 2 298.314 1.970 20 5 CDBDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284081014 375129301 /nfs/dbraw/zinc/12/93/01/375129301.db2.gz LTIWMCJDQHRZBX-SECBINFHSA-N 1 2 290.327 1.639 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1cc[nH+]c1 ZINC000048393232 375299258 /nfs/dbraw/zinc/29/92/58/375299258.db2.gz VQKHTQHVXGJXNI-UHFFFAOYSA-N 1 2 260.253 1.738 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493570246 375465122 /nfs/dbraw/zinc/46/51/22/375465122.db2.gz YHGKQBORXXUOAE-WAYWQWQTSA-N 1 2 286.291 1.658 20 5 CDBDLO COCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443582 375609573 /nfs/dbraw/zinc/60/95/73/375609573.db2.gz SCDNHDDQDOZEGJ-CYBMUJFWSA-N 1 2 290.323 1.654 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296394080 376085500 /nfs/dbraw/zinc/08/55/00/376085500.db2.gz YZQNMCQGWHTJOB-QWRGUYRKSA-N 1 2 277.324 1.785 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296394080 376085506 /nfs/dbraw/zinc/08/55/06/376085506.db2.gz YZQNMCQGWHTJOB-QWRGUYRKSA-N 1 2 277.324 1.785 20 5 CDBDLO CCOC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471417 378455437 /nfs/dbraw/zinc/45/54/37/378455437.db2.gz MAJHVJSFRVSGJX-SNVBAGLBSA-N 1 2 294.311 1.039 20 5 CDBDLO CCOC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471417 378455439 /nfs/dbraw/zinc/45/54/39/378455439.db2.gz MAJHVJSFRVSGJX-SNVBAGLBSA-N 1 2 294.311 1.039 20 5 CDBDLO O=C1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]2N1 ZINC000246807548 379667347 /nfs/dbraw/zinc/66/73/47/379667347.db2.gz YLUXOHXPEHIAOT-ZIAGYGMSSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]2N1 ZINC000246807548 379667351 /nfs/dbraw/zinc/66/73/51/379667351.db2.gz YLUXOHXPEHIAOT-ZIAGYGMSSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000492859188 253310321 /nfs/dbraw/zinc/31/03/21/253310321.db2.gz GDPZIYCMGRBZPE-SNAWJCMRSA-N 1 2 286.291 1.690 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000363487947 390906617 /nfs/dbraw/zinc/90/66/17/390906617.db2.gz GGIOMFPNJKJMBC-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000363487947 390906620 /nfs/dbraw/zinc/90/66/20/390906620.db2.gz GGIOMFPNJKJMBC-SECBINFHSA-N 1 2 297.742 1.959 20 5 CDBDLO NC(=O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413127232 391163002 /nfs/dbraw/zinc/16/30/02/391163002.db2.gz VGKHJWSRSMLSDY-JTQLQIEISA-N 1 2 286.291 1.455 20 5 CDBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294057126 391323960 /nfs/dbraw/zinc/32/39/60/391323960.db2.gz XLUHSQPIFVDWAN-ZDUSSCGKSA-N 1 2 296.298 1.928 20 5 CDBDLO Cc1cc(NC[C@@H]2CN3CC[NH+]2CC3)ccc1[N+](=O)[O-] ZINC000269461742 132174601 /nfs/dbraw/zinc/17/46/01/132174601.db2.gz HDFINVIWGBJKDZ-CYBMUJFWSA-N 1 2 276.340 1.315 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000252663494 140320911 /nfs/dbraw/zinc/32/09/11/140320911.db2.gz JSEAOMJKHFFGAK-CABCVRRESA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000252663494 140320912 /nfs/dbraw/zinc/32/09/12/140320912.db2.gz JSEAOMJKHFFGAK-CABCVRRESA-N 1 2 292.335 1.975 20 5 CDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000355055298 413115763 /nfs/dbraw/zinc/11/57/63/413115763.db2.gz AQQMTPYCYLYAEU-UHFFFAOYSA-N 1 2 298.318 1.437 20 5 CDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000355055298 413115771 /nfs/dbraw/zinc/11/57/71/413115771.db2.gz AQQMTPYCYLYAEU-UHFFFAOYSA-N 1 2 298.318 1.437 20 5 CDBDLO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ncnn1C ZINC000285239734 196230210 /nfs/dbraw/zinc/23/02/10/196230210.db2.gz PNYLRDJTRWZMQZ-IUCAKERBSA-N 1 2 290.327 1.717 20 5 CDBDLO CCCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192633978 270297170 /nfs/dbraw/zinc/29/71/70/270297170.db2.gz KGCBFJKFSTVWBK-UHFFFAOYSA-N 1 2 279.340 1.943 20 5 CDBDLO CCCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192633978 270297172 /nfs/dbraw/zinc/29/71/72/270297172.db2.gz KGCBFJKFSTVWBK-UHFFFAOYSA-N 1 2 279.340 1.943 20 5 CDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCCCC2)cc1 ZINC000129241632 280369670 /nfs/dbraw/zinc/36/96/70/280369670.db2.gz JIJUMMHTFUFBRU-UHFFFAOYSA-N 1 2 298.364 1.854 20 5 CDBDLO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCC1 ZINC000281825423 289098494 /nfs/dbraw/zinc/09/84/94/289098494.db2.gz VZVHAUDYJGWADQ-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262405818 297250064 /nfs/dbraw/zinc/25/00/64/297250064.db2.gz QCARMHAZQPRRQG-BDAKNGLRSA-N 1 2 279.296 1.110 20 5 CDBDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1(C)C ZINC000563634314 316348297 /nfs/dbraw/zinc/34/82/97/316348297.db2.gz CTCILBIHXSBFNS-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO C[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1(C)C ZINC000563634314 316348301 /nfs/dbraw/zinc/34/83/01/316348301.db2.gz CTCILBIHXSBFNS-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000052812691 525578586 /nfs/dbraw/zinc/57/85/86/525578586.db2.gz JHRVCHGRCMVKJK-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000771960579 575642128 /nfs/dbraw/zinc/64/21/28/575642128.db2.gz WBRMDDRQKDBZOI-UHFFFAOYSA-N 1 2 279.227 1.787 20 5 CDBDLO COC(=O)C(C)(C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096430 576975796 /nfs/dbraw/zinc/97/57/96/576975796.db2.gz OCJWUZLAOGTQLE-GFCCVEGCSA-N 1 2 296.323 1.512 20 5 CDBDLO COC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096430 576975797 /nfs/dbraw/zinc/97/57/97/576975797.db2.gz OCJWUZLAOGTQLE-GFCCVEGCSA-N 1 2 296.323 1.512 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000895806020 619854320 /nfs/dbraw/zinc/85/43/20/619854320.db2.gz ZMXKBGOHRVNBJD-NSHDSACASA-N 1 2 297.359 1.159 20 5 CDBDLO CCOC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902422956 624792089 /nfs/dbraw/zinc/79/20/89/624792089.db2.gz HLTMPMCJDFFDMN-LLVKDONJSA-N 1 2 296.327 1.251 20 5 CDBDLO CCOC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902422956 624792094 /nfs/dbraw/zinc/79/20/94/624792094.db2.gz HLTMPMCJDFFDMN-LLVKDONJSA-N 1 2 296.327 1.251 20 5 CDBDLO C[C@@H](O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000792204626 1162268150 /nfs/dbraw/zinc/26/81/50/1162268150.db2.gz SQIMIAXESFMADQ-SECBINFHSA-N 1 2 291.263 1.318 20 5 CDBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000798194973 814428641 /nfs/dbraw/zinc/42/86/41/814428641.db2.gz BSLFMGCOWCEGKH-XTZNXHDOSA-N 1 2 270.354 1.694 20 5 CDBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000798194973 814428648 /nfs/dbraw/zinc/42/86/48/814428648.db2.gz BSLFMGCOWCEGKH-XTZNXHDOSA-N 1 2 270.354 1.694 20 5 CDBDLO CC(C)[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000173481505 912458940 /nfs/dbraw/zinc/45/89/40/912458940.db2.gz UJZMGOVADDBQPT-SNVBAGLBSA-N 1 2 270.358 1.822 20 5 CDBDLO CC(C)[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000173481505 912458945 /nfs/dbraw/zinc/45/89/45/912458945.db2.gz UJZMGOVADDBQPT-SNVBAGLBSA-N 1 2 270.358 1.822 20 5 CDBDLO Cn1c[nH+]cc1CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001222595322 900266604 /nfs/dbraw/zinc/26/66/04/900266604.db2.gz WPAZHPKMQKRPGS-LBPRGKRZSA-N 1 2 262.269 1.350 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(N)c([N+](=O)[O-])c1 ZINC001209932825 940652064 /nfs/dbraw/zinc/65/20/64/940652064.db2.gz UTSODKDEPRINCV-UHFFFAOYSA-N 1 2 291.267 1.122 20 5 CDBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CCC[NH2+]C2)[nH]1 ZINC001218281900 941050852 /nfs/dbraw/zinc/05/08/52/941050852.db2.gz MLGWOWQZGBERHG-SECBINFHSA-N 1 2 290.279 1.374 20 5 CDBDLO Cc1cccc(OC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001225635475 941892245 /nfs/dbraw/zinc/89/22/45/941892245.db2.gz HYGZXYDPFSOBAM-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cccc(OC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001225635475 941892249 /nfs/dbraw/zinc/89/22/49/941892249.db2.gz HYGZXYDPFSOBAM-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccnc(OC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001226119027 941953455 /nfs/dbraw/zinc/95/34/55/941953455.db2.gz NWHWFAILXHBYFM-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1ccnc(OC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001226119027 941953457 /nfs/dbraw/zinc/95/34/57/941953457.db2.gz NWHWFAILXHBYFM-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CCCO3)C2 ZINC001254593190 947546188 /nfs/dbraw/zinc/54/61/88/947546188.db2.gz JSJUFOZVDRXMSF-AWEZNQCLSA-N 1 2 274.320 1.927 20 5 CDBDLO CC(C)n1c2ccccc2nc1C[NH2+]CC[N+](=O)[O-] ZINC001335969796 960129744 /nfs/dbraw/zinc/12/97/44/960129744.db2.gz ZXZJFBUOELSIIZ-UHFFFAOYSA-N 1 2 262.313 1.984 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000590758683 342588452 /nfs/dbraw/zinc/58/84/52/342588452.db2.gz KALPWZUIMCXTIO-LLVKDONJSA-N 1 2 282.369 1.656 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000590758683 342588453 /nfs/dbraw/zinc/58/84/53/342588453.db2.gz KALPWZUIMCXTIO-LLVKDONJSA-N 1 2 282.369 1.656 20 5 CDBDLO C[C@H](CNc1cccnc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000609111633 342090798 /nfs/dbraw/zinc/09/07/98/342090798.db2.gz SGCWIQVIDDYLSV-SNVBAGLBSA-N 1 2 261.285 1.935 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894455 362106221 /nfs/dbraw/zinc/10/62/21/362106221.db2.gz TVVSSYABAXEXSJ-NXEZZACHSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894455 362106225 /nfs/dbraw/zinc/10/62/25/362106225.db2.gz TVVSSYABAXEXSJ-NXEZZACHSA-N 1 2 293.323 1.465 20 5 CDBDLO COC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079499251 342345175 /nfs/dbraw/zinc/34/51/75/342345175.db2.gz HNKSDPPKNFEIEB-UHFFFAOYSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079499251 342345176 /nfs/dbraw/zinc/34/51/76/342345176.db2.gz HNKSDPPKNFEIEB-UHFFFAOYSA-N 1 2 294.307 1.611 20 5 CDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092103612 342410993 /nfs/dbraw/zinc/41/09/93/342410993.db2.gz VRGHNHZOHOMGRR-UHFFFAOYSA-N 1 2 295.339 1.504 20 5 CDBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092103612 342410994 /nfs/dbraw/zinc/41/09/94/342410994.db2.gz VRGHNHZOHOMGRR-UHFFFAOYSA-N 1 2 295.339 1.504 20 5 CDBDLO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)COC1 ZINC000602739100 344557176 /nfs/dbraw/zinc/55/71/76/344557176.db2.gz JASIPAHJBPPDCR-UHFFFAOYSA-N 1 2 263.253 1.615 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026452176 344852174 /nfs/dbraw/zinc/85/21/74/344852174.db2.gz QPTVJDBRNBTHKG-DGCLKSJQSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026452176 344852176 /nfs/dbraw/zinc/85/21/76/344852176.db2.gz QPTVJDBRNBTHKG-DGCLKSJQSA-N 1 2 296.323 1.055 20 5 CDBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC1CC1 ZINC000088605654 346073188 /nfs/dbraw/zinc/07/31/88/346073188.db2.gz ZIDAAPQDMNPISR-UHFFFAOYSA-N 1 2 289.335 1.479 20 5 CDBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC1CC1 ZINC000088605654 346073189 /nfs/dbraw/zinc/07/31/89/346073189.db2.gz ZIDAAPQDMNPISR-UHFFFAOYSA-N 1 2 289.335 1.479 20 5 CDBDLO COc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000610491346 346293785 /nfs/dbraw/zinc/29/37/85/346293785.db2.gz QFSCKSIUPILOLH-UHFFFAOYSA-N 1 2 290.279 1.185 20 5 CDBDLO COc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000610491346 346293786 /nfs/dbraw/zinc/29/37/86/346293786.db2.gz QFSCKSIUPILOLH-UHFFFAOYSA-N 1 2 290.279 1.185 20 5 CDBDLO CN(C(=O)C[N@@H+]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000073141330 349153431 /nfs/dbraw/zinc/15/34/31/349153431.db2.gz MBMVEQHATKHAKE-ZDUSSCGKSA-N 1 2 293.323 1.014 20 5 CDBDLO CN(C(=O)C[N@H+]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000073141330 349153433 /nfs/dbraw/zinc/15/34/33/349153433.db2.gz MBMVEQHATKHAKE-ZDUSSCGKSA-N 1 2 293.323 1.014 20 5 CDBDLO Cc1cnc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000090692175 180024581 /nfs/dbraw/zinc/02/45/81/180024581.db2.gz RXXBIQIUVGINBJ-JTQLQIEISA-N 1 2 261.285 1.995 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC000091554045 180189612 /nfs/dbraw/zinc/18/96/12/180189612.db2.gz KKCYGYBRPLAMPK-UHFFFAOYSA-N 1 2 278.316 1.818 20 5 CDBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000092026962 180308455 /nfs/dbraw/zinc/30/84/55/180308455.db2.gz CFDVZJPUOQDAMF-SNVBAGLBSA-N 1 2 261.285 1.995 20 5 CDBDLO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194717258 363012331 /nfs/dbraw/zinc/01/23/31/363012331.db2.gz CAOVHUUWAAQXSN-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194717258 363012337 /nfs/dbraw/zinc/01/23/37/363012337.db2.gz CAOVHUUWAAQXSN-SNVBAGLBSA-N 1 2 279.296 1.124 20 5 CDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC000153764220 188102054 /nfs/dbraw/zinc/10/20/54/188102054.db2.gz BGZCPDXDLNGPJV-UHFFFAOYSA-N 1 2 288.307 1.540 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135014642 357072775 /nfs/dbraw/zinc/07/27/75/357072775.db2.gz LIXQUHVJASUENC-UHFFFAOYSA-N 1 2 278.243 1.729 20 5 CDBDLO Cc1nc(NCCNc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000361150399 357806419 /nfs/dbraw/zinc/80/64/19/357806419.db2.gz PYWTWLRRFNFTDU-UHFFFAOYSA-N 1 2 273.296 1.639 20 5 CDBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000558732812 357891709 /nfs/dbraw/zinc/89/17/09/357891709.db2.gz MERDAFKKKHYLIO-UHFFFAOYSA-N 1 2 298.262 1.960 20 5 CDBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC1 ZINC000361425082 358177548 /nfs/dbraw/zinc/17/75/48/358177548.db2.gz CUGWZAUCPPQMPV-JTQLQIEISA-N 1 2 268.317 1.328 20 5 CDBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC1 ZINC000361425082 358177550 /nfs/dbraw/zinc/17/75/50/358177550.db2.gz CUGWZAUCPPQMPV-JTQLQIEISA-N 1 2 268.317 1.328 20 5 CDBDLO CC[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192828102 358240336 /nfs/dbraw/zinc/24/03/36/358240336.db2.gz ICGDXVPOFQAFPR-SNVBAGLBSA-N 1 2 281.312 1.548 20 5 CDBDLO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000287238342 358348452 /nfs/dbraw/zinc/34/84/52/358348452.db2.gz YQYQBYHUJSFBLP-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO Cc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000291119002 358878415 /nfs/dbraw/zinc/87/84/15/358878415.db2.gz NGDAWLZJUDGFCR-UHFFFAOYSA-N 1 2 286.291 1.756 20 5 CDBDLO CC(C)(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC000339035075 359279458 /nfs/dbraw/zinc/27/94/58/359279458.db2.gz QNHDFGVZGQTLRX-LLVKDONJSA-N 1 2 281.312 1.290 20 5 CDBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000340246876 359618108 /nfs/dbraw/zinc/61/81/08/359618108.db2.gz YUCDETLFQHSCMO-SECBINFHSA-N 1 2 276.296 1.885 20 5 CDBDLO Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000176200705 238204144 /nfs/dbraw/zinc/20/41/44/238204144.db2.gz FVWXDMZEOCUGKS-UHFFFAOYSA-N 1 2 275.268 1.442 20 5 CDBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCN2CC3)c(Cl)c1 ZINC000301783196 201194109 /nfs/dbraw/zinc/19/41/09/201194109.db2.gz OJXFXHQUUSSDHK-JTQLQIEISA-N 1 2 297.746 1.055 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000456371675 364280483 /nfs/dbraw/zinc/28/04/83/364280483.db2.gz YTRKTONLXCTOFI-SSDOTTSWSA-N 1 2 278.272 1.025 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042393166 364580360 /nfs/dbraw/zinc/58/03/60/364580360.db2.gz WIBXKTMEZAMCIW-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042393166 364580362 /nfs/dbraw/zinc/58/03/62/364580362.db2.gz WIBXKTMEZAMCIW-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367102199 364813884 /nfs/dbraw/zinc/81/38/84/364813884.db2.gz GINRHQWAJBNWPZ-VIFPVBQESA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367102199 364813889 /nfs/dbraw/zinc/81/38/89/364813889.db2.gz GINRHQWAJBNWPZ-VIFPVBQESA-N 1 2 297.742 1.959 20 5 CDBDLO Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000356363726 370239876 /nfs/dbraw/zinc/23/98/76/370239876.db2.gz OSXZJTCRQMTYPX-UHFFFAOYSA-N 1 2 273.248 1.678 20 5 CDBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000298481711 373675670 /nfs/dbraw/zinc/67/56/70/373675670.db2.gz UVGLSUNRHOTMTH-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO NC(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000081542508 374517979 /nfs/dbraw/zinc/51/79/79/374517979.db2.gz NDQIBVURGWMKAN-UHFFFAOYSA-N 1 2 296.302 1.367 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000280685272 375014366 /nfs/dbraw/zinc/01/43/66/375014366.db2.gz FZVHCLVJLDHAMO-ILXRZTDVSA-N 1 2 292.335 1.882 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000280685272 375014372 /nfs/dbraw/zinc/01/43/72/375014372.db2.gz FZVHCLVJLDHAMO-ILXRZTDVSA-N 1 2 292.335 1.882 20 5 CDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493465029 375456903 /nfs/dbraw/zinc/45/69/03/375456903.db2.gz QEFHJFVNOYUOSZ-VOTSOKGWSA-N 1 2 286.291 1.990 20 5 CDBDLO Cc1cc(N(C)[C@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000278852224 194183100 /nfs/dbraw/zinc/18/31/00/194183100.db2.gz LXROERUDHFYDPW-GFCCVEGCSA-N 1 2 294.355 1.455 20 5 CDBDLO COc1cc(C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000184200507 391072866 /nfs/dbraw/zinc/07/28/66/391072866.db2.gz ZURPETJIWBNGJE-VIFPVBQESA-N 1 2 270.260 1.309 20 5 CDBDLO COc1cc(C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000184200507 391072872 /nfs/dbraw/zinc/07/28/72/391072872.db2.gz ZURPETJIWBNGJE-VIFPVBQESA-N 1 2 270.260 1.309 20 5 CDBDLO COc1cc(C[NH2+]Cc2cc(C)on2)c([N+](=O)[O-])cc1O ZINC000520215909 391251667 /nfs/dbraw/zinc/25/16/67/391251667.db2.gz BJEVXADKIJMJPU-UHFFFAOYSA-N 1 2 293.279 1.895 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000189782325 130021492 /nfs/dbraw/zinc/02/14/92/130021492.db2.gz WDBVWQBHJWUFNG-BDAKNGLRSA-N 1 2 276.300 1.530 20 5 CDBDLO Cc1nc(NC[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268491732 132017113 /nfs/dbraw/zinc/01/71/13/132017113.db2.gz NXSLVFMBWKQJKC-JTQLQIEISA-N 1 2 280.328 1.431 20 5 CDBDLO O=[N+]([O-])c1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000332591075 296504033 /nfs/dbraw/zinc/50/40/33/296504033.db2.gz NIDYTWMLAIPVGE-UHFFFAOYSA-N 1 2 258.281 1.807 20 5 CDBDLO COc1cc[nH+]cc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000343838892 152320977 /nfs/dbraw/zinc/32/09/77/152320977.db2.gz ZGZAXRRYMYIGSN-UHFFFAOYSA-N 1 2 261.237 1.208 20 5 CDBDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1[N+](=O)[O-] ZINC000352239753 155049807 /nfs/dbraw/zinc/04/98/07/155049807.db2.gz YWGPDPQQGMZFJQ-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC000352239753 155049810 /nfs/dbraw/zinc/04/98/10/155049810.db2.gz YWGPDPQQGMZFJQ-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000353847047 156120478 /nfs/dbraw/zinc/12/04/78/156120478.db2.gz OYZNBYBGGVOJEZ-UHFFFAOYSA-N 1 2 291.267 1.293 20 5 CDBDLO CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H](C)[NH3+] ZINC000399753187 270375208 /nfs/dbraw/zinc/37/52/08/270375208.db2.gz VJBIUDBOFHFPSO-UFBFGSQYSA-N 1 2 281.312 1.858 20 5 CDBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000558732927 290422353 /nfs/dbraw/zinc/42/23/53/290422353.db2.gz XANYSIJZMZPPBT-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO [NH3+]CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000423742787 303370214 /nfs/dbraw/zinc/37/02/14/303370214.db2.gz ZJKSMXOHCNTWCZ-UHFFFAOYSA-N 1 2 265.269 1.368 20 5 CDBDLO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000579004674 324080753 /nfs/dbraw/zinc/08/07/53/324080753.db2.gz LAZWVZMQRCXBOB-UHFFFAOYSA-N 1 2 281.312 1.418 20 5 CDBDLO CCN(CCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccn1 ZINC001157460267 1162098866 /nfs/dbraw/zinc/09/88/66/1162098866.db2.gz UHWPDGYTTQROEQ-UHFFFAOYSA-N 1 2 261.285 1.713 20 5 CDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1[nH]cc[nH+]1 ZINC000176351645 534466516 /nfs/dbraw/zinc/46/65/16/534466516.db2.gz RWZNDHCLIQPTJS-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000052812673 525578155 /nfs/dbraw/zinc/57/81/55/525578155.db2.gz IFYNSVZGCTUSNT-SNVBAGLBSA-N 1 2 261.285 1.995 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1cccnc1OCC(F)F ZINC000905192758 626670004 /nfs/dbraw/zinc/67/00/04/626670004.db2.gz XQNBJEWPJXVSEJ-UHFFFAOYSA-N 1 2 261.228 1.092 20 5 CDBDLO COc1ccc(C[C@H](C)[NH+]2CC(C)(O)C2)c([N+](=O)[O-])c1 ZINC001170327129 1162337418 /nfs/dbraw/zinc/33/74/18/1162337418.db2.gz FCKLVQIJEGSEKL-JTQLQIEISA-N 1 2 280.324 1.601 20 5 CDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000811856420 1163545514 /nfs/dbraw/zinc/54/55/14/1163545514.db2.gz LGFVDNDJHNYMTL-UHFFFAOYSA-N 1 2 289.251 1.720 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000830480767 818870244 /nfs/dbraw/zinc/87/02/44/818870244.db2.gz SYDZTBQKNDDWEV-JQWIXIFHSA-N 1 2 254.261 1.672 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000830480767 818870246 /nfs/dbraw/zinc/87/02/46/818870246.db2.gz SYDZTBQKNDDWEV-JQWIXIFHSA-N 1 2 254.261 1.672 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881801491 819237532 /nfs/dbraw/zinc/23/75/32/819237532.db2.gz JEVJOOBYHOHLIL-QMMMGPOBSA-N 1 2 265.248 1.826 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840093842 820009288 /nfs/dbraw/zinc/00/92/88/820009288.db2.gz BHPKZTXOOKCWOY-CYBMUJFWSA-N 1 2 282.344 1.804 20 5 CDBDLO Cc1nn(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840093842 820009300 /nfs/dbraw/zinc/00/93/00/820009300.db2.gz BHPKZTXOOKCWOY-CYBMUJFWSA-N 1 2 282.344 1.804 20 5 CDBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177841830 820929959 /nfs/dbraw/zinc/92/99/59/820929959.db2.gz AATKZNKHEWHPJS-UHFFFAOYSA-N 1 2 283.303 1.820 20 5 CDBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177841830 820929965 /nfs/dbraw/zinc/92/99/65/820929965.db2.gz AATKZNKHEWHPJS-UHFFFAOYSA-N 1 2 283.303 1.820 20 5 CDBDLO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)[C@H]1C ZINC000787242603 821361877 /nfs/dbraw/zinc/36/18/77/821361877.db2.gz IXLBDEJAVMVBJO-ONGXEEELSA-N 1 2 296.327 1.249 20 5 CDBDLO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)[C@H]1C ZINC000787242603 821361886 /nfs/dbraw/zinc/36/18/86/821361886.db2.gz IXLBDEJAVMVBJO-ONGXEEELSA-N 1 2 296.327 1.249 20 5 CDBDLO Cc1nn(CN2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000779864150 821473759 /nfs/dbraw/zinc/47/37/59/821473759.db2.gz DZPMLTZDWFCOPG-LBPRGKRZSA-N 1 2 290.327 1.591 20 5 CDBDLO O=C(c1ccsc1)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791053675 822323470 /nfs/dbraw/zinc/32/34/70/822323470.db2.gz VRAWGKJWWHUTPJ-UHFFFAOYSA-N 1 2 283.353 1.173 20 5 CDBDLO O=C(c1ccsc1)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791053675 822323483 /nfs/dbraw/zinc/32/34/83/822323483.db2.gz VRAWGKJWWHUTPJ-UHFFFAOYSA-N 1 2 283.353 1.173 20 5 CDBDLO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000928572593 822380381 /nfs/dbraw/zinc/38/03/81/822380381.db2.gz IGXWPSOZMQJYJJ-SSDOTTSWSA-N 1 2 255.299 1.090 20 5 CDBDLO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000928572593 822380387 /nfs/dbraw/zinc/38/03/87/822380387.db2.gz IGXWPSOZMQJYJJ-SSDOTTSWSA-N 1 2 255.299 1.090 20 5 CDBDLO COc1cc(NCc2cc[nH+]c(N)c2)cnc1[N+](=O)[O-] ZINC001167616681 897050626 /nfs/dbraw/zinc/05/06/26/897050626.db2.gz MIQFZNZCIFUKMP-UHFFFAOYSA-N 1 2 275.268 1.588 20 5 CDBDLO [NH3+][C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000236287227 898323057 /nfs/dbraw/zinc/32/30/57/898323057.db2.gz IUVDHXBCWFUMNL-VIFPVBQESA-N 1 2 265.269 1.366 20 5 CDBDLO COc1cc(NC[C@H]2COCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC001169658501 928302770 /nfs/dbraw/zinc/30/27/70/928302770.db2.gz XQCWFLROOBFSJW-LBPRGKRZSA-N 1 2 295.339 1.654 20 5 CDBDLO COc1cc(NC[C@H]2COCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC001169658501 928302784 /nfs/dbraw/zinc/30/27/84/928302784.db2.gz XQCWFLROOBFSJW-LBPRGKRZSA-N 1 2 295.339 1.654 20 5 CDBDLO COc1c(C(=O)OCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000796739600 937311951 /nfs/dbraw/zinc/31/19/51/937311951.db2.gz 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O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)ccc1Cl ZINC000316511491 941487459 /nfs/dbraw/zinc/48/74/59/941487459.db2.gz HPUKQLGTSVYVJP-BXKDBHETSA-N 1 2 286.715 1.033 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001225614237 941888699 /nfs/dbraw/zinc/88/86/99/941888699.db2.gz BPBLXBHPYLCYLM-LLVKDONJSA-N 1 2 282.296 1.313 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001225614237 941888703 /nfs/dbraw/zinc/88/87/03/941888703.db2.gz BPBLXBHPYLCYLM-LLVKDONJSA-N 1 2 282.296 1.313 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(O)C1 ZINC001254551159 947522058 /nfs/dbraw/zinc/52/20/58/947522058.db2.gz ZGRZFOGVFJOJSN-JTQLQIEISA-N 1 2 250.298 1.592 20 5 CDBDLO COC(=O)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001254572472 947532725 /nfs/dbraw/zinc/53/27/25/947532725.db2.gz OMIFUJFNJACIIG-JSGCOSHPSA-N 1 2 292.335 1.849 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[NH2+]CC1 ZINC000593905864 342854673 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CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595292324 343025540 /nfs/dbraw/zinc/02/55/40/343025540.db2.gz ZESQUDUSAGOZBK-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000595321745 343035218 /nfs/dbraw/zinc/03/52/18/343035218.db2.gz YISLQJMIBSVYFF-SNVBAGLBSA-N 1 2 294.311 1.134 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000595321745 343035219 /nfs/dbraw/zinc/03/52/19/343035219.db2.gz YISLQJMIBSVYFF-SNVBAGLBSA-N 1 2 294.311 1.134 20 5 CDBDLO Cc1noc(C[N@@H+](C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595485111 343066047 /nfs/dbraw/zinc/06/60/47/343066047.db2.gz RSNTYRZHGWFXAN-SECBINFHSA-N 1 2 255.274 1.502 20 5 CDBDLO Cc1noc(C[N@H+](C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595485111 343066049 /nfs/dbraw/zinc/06/60/49/343066049.db2.gz RSNTYRZHGWFXAN-SECBINFHSA-N 1 2 255.274 1.502 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000595450271 343066053 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COCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077408973 342329987 /nfs/dbraw/zinc/32/99/87/342329987.db2.gz PBPSNQVBPREGQG-UHFFFAOYSA-N 1 2 293.323 1.062 20 5 CDBDLO Cn1cc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000595760858 343144168 /nfs/dbraw/zinc/14/41/68/343144168.db2.gz VMTAZTRCZWKJDR-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO Cn1cc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000595760858 343144170 /nfs/dbraw/zinc/14/41/70/343144170.db2.gz VMTAZTRCZWKJDR-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO Cc1nn(C)c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596431545 343319454 /nfs/dbraw/zinc/31/94/54/343319454.db2.gz OZJZIPYJGKHNGM-NXEZZACHSA-N 1 2 297.359 1.158 20 5 CDBDLO Cc1nn(C)c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596431545 343319456 /nfs/dbraw/zinc/31/94/56/343319456.db2.gz OZJZIPYJGKHNGM-NXEZZACHSA-N 1 2 297.359 1.158 20 5 CDBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093887529 342426892 /nfs/dbraw/zinc/42/68/92/342426892.db2.gz MWCPGOIQBALUHL-CQSZACIVSA-N 1 2 296.298 1.990 20 5 CDBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093887529 342426893 /nfs/dbraw/zinc/42/68/93/342426893.db2.gz MWCPGOIQBALUHL-CQSZACIVSA-N 1 2 296.298 1.990 20 5 CDBDLO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597531268 343567384 /nfs/dbraw/zinc/56/73/84/343567384.db2.gz BKVWTCZPGUVWBG-VXGBXAGGSA-N 1 2 293.323 1.513 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ncccn2)n1 ZINC000602895255 344652911 /nfs/dbraw/zinc/65/29/11/344652911.db2.gz ALIXTGVLKFMOGE-LLVKDONJSA-N 1 2 288.311 1.418 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ncccn2)n1 ZINC000602895255 344652913 /nfs/dbraw/zinc/65/29/13/344652913.db2.gz ALIXTGVLKFMOGE-LLVKDONJSA-N 1 2 288.311 1.418 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1cccnc1[N+](=O)[O-] ZINC000159334046 344831756 /nfs/dbraw/zinc/83/17/56/344831756.db2.gz IDCOYADZBAAKNO-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO Cc1c(NC(=O)NCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000344139413 362544618 /nfs/dbraw/zinc/54/46/18/362544618.db2.gz BNRTVVWXNPCLLY-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293537694 362575476 /nfs/dbraw/zinc/57/54/76/362575476.db2.gz VOXXWORGDYYCTN-GHMZBOCLSA-N 1 2 291.307 1.124 20 5 CDBDLO CCOC(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000159515902 345193750 /nfs/dbraw/zinc/19/37/50/345193750.db2.gz PXAYHFJYXKABHN-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO CCOC(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000159515902 345193752 /nfs/dbraw/zinc/19/37/52/345193752.db2.gz PXAYHFJYXKABHN-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610990607 346566731 /nfs/dbraw/zinc/56/67/31/346566731.db2.gz CMRKKWNHVVUMKK-LLVKDONJSA-N 1 2 293.323 1.644 20 5 CDBDLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610990607 346566735 /nfs/dbraw/zinc/56/67/35/346566735.db2.gz CMRKKWNHVVUMKK-LLVKDONJSA-N 1 2 293.323 1.644 20 5 CDBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nccs1 ZINC000090551461 180003080 /nfs/dbraw/zinc/00/30/80/180003080.db2.gz NCWKYBITDXTPHI-UHFFFAOYSA-N 1 2 294.336 1.345 20 5 CDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nccs1 ZINC000090551461 180003082 /nfs/dbraw/zinc/00/30/82/180003082.db2.gz NCWKYBITDXTPHI-UHFFFAOYSA-N 1 2 294.336 1.345 20 5 CDBDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182195530 357418465 /nfs/dbraw/zinc/41/84/65/357418465.db2.gz ZMXASWPXACPDTN-RYUDHWBXSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182195530 357418468 /nfs/dbraw/zinc/41/84/68/357418468.db2.gz ZMXASWPXACPDTN-RYUDHWBXSA-N 1 2 296.323 1.055 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104672247 358962406 /nfs/dbraw/zinc/96/24/06/358962406.db2.gz QMRUJJGULQPKPB-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104672247 358962408 /nfs/dbraw/zinc/96/24/08/358962408.db2.gz QMRUJJGULQPKPB-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000235061578 359729085 /nfs/dbraw/zinc/72/90/85/359729085.db2.gz WHJODCANTGPHDG-SECBINFHSA-N 1 2 274.280 1.738 20 5 CDBDLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000235061578 359729088 /nfs/dbraw/zinc/72/90/88/359729088.db2.gz WHJODCANTGPHDG-SECBINFHSA-N 1 2 274.280 1.738 20 5 CDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2[nH+]ccn21 ZINC000456389743 364300314 /nfs/dbraw/zinc/30/03/14/364300314.db2.gz PZCPYUZTMXBWLY-APPZFPTMSA-N 1 2 275.268 1.555 20 5 CDBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000270731448 366926229 /nfs/dbraw/zinc/92/62/29/366926229.db2.gz UNRDTHKFXXMDHM-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000270731448 366926231 /nfs/dbraw/zinc/92/62/31/366926231.db2.gz UNRDTHKFXXMDHM-LBPRGKRZSA-N 1 2 263.297 1.305 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CO)c(F)c1 ZINC000330834066 203292865 /nfs/dbraw/zinc/29/28/65/203292865.db2.gz KAVMHHOURZTKBY-NSHDSACASA-N 1 2 286.328 1.644 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(F)c1 ZINC000330834066 203292866 /nfs/dbraw/zinc/29/28/66/203292866.db2.gz KAVMHHOURZTKBY-NSHDSACASA-N 1 2 286.328 1.644 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1CO ZINC000330862015 203325434 /nfs/dbraw/zinc/32/54/34/203325434.db2.gz XDFCXZVOUUFCPN-LBPRGKRZSA-N 1 2 298.364 1.513 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1CO ZINC000330862015 203325436 /nfs/dbraw/zinc/32/54/36/203325436.db2.gz XDFCXZVOUUFCPN-LBPRGKRZSA-N 1 2 298.364 1.513 20 5 CDBDLO Cc1nc(NCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000296283074 375302952 /nfs/dbraw/zinc/30/29/52/375302952.db2.gz HJKYWTXCQKLXTN-UHFFFAOYSA-N 1 2 274.284 1.612 20 5 CDBDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000351889761 375339067 /nfs/dbraw/zinc/33/90/67/375339067.db2.gz SGQRDKONEWJQJC-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO C[N@H+](Cc1ccoc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000345090292 375799681 /nfs/dbraw/zinc/79/96/81/375799681.db2.gz KHNVRIKCXAEMRE-UHFFFAOYSA-N 1 2 289.291 1.919 20 5 CDBDLO C[N@@H+](Cc1ccoc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000345090292 375799687 /nfs/dbraw/zinc/79/96/87/375799687.db2.gz KHNVRIKCXAEMRE-UHFFFAOYSA-N 1 2 289.291 1.919 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000347639372 376648640 /nfs/dbraw/zinc/64/86/40/376648640.db2.gz FCZJGJLMAUSQFM-SNVBAGLBSA-N 1 2 297.311 1.028 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000347639372 376648647 /nfs/dbraw/zinc/64/86/47/376648647.db2.gz FCZJGJLMAUSQFM-SNVBAGLBSA-N 1 2 297.311 1.028 20 5 CDBDLO Nc1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000444835162 250195057 /nfs/dbraw/zinc/19/50/57/250195057.db2.gz GFMGRAAGHSJTHN-UHFFFAOYSA-N 1 2 295.302 1.985 20 5 CDBDLO O=C1[C@H]([N@@H+]2CC[C@@H](F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451186984 390603466 /nfs/dbraw/zinc/60/34/66/390603466.db2.gz CEYBKCURMFRWOQ-ZWNOBZJWSA-N 1 2 293.298 1.744 20 5 CDBDLO O=C1[C@H]([N@H+]2CC[C@@H](F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451186984 390603469 /nfs/dbraw/zinc/60/34/69/390603469.db2.gz CEYBKCURMFRWOQ-ZWNOBZJWSA-N 1 2 293.298 1.744 20 5 CDBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000595402011 392564364 /nfs/dbraw/zinc/56/43/64/392564364.db2.gz RBBWODZJWXLHIP-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000595402011 392564369 /nfs/dbraw/zinc/56/43/69/392564369.db2.gz RBBWODZJWXLHIP-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO Cn1c[nH+]cc1CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000526998338 392972611 /nfs/dbraw/zinc/97/26/11/392972611.db2.gz UKOFIYNPQMMACY-UHFFFAOYSA-N 1 2 288.307 1.577 20 5 CDBDLO Cn1c[nH+]cc1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000526934256 392972740 /nfs/dbraw/zinc/97/27/40/392972740.db2.gz VVDPIVJNNBUSOT-UHFFFAOYSA-N 1 2 278.243 1.649 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530474961 393051591 /nfs/dbraw/zinc/05/15/91/393051591.db2.gz FYHKOIISQURQPY-SNVBAGLBSA-N 1 2 297.359 1.252 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCO[C@H](C)C1 ZINC000530474961 393051593 /nfs/dbraw/zinc/05/15/93/393051593.db2.gz FYHKOIISQURQPY-SNVBAGLBSA-N 1 2 297.359 1.252 20 5 CDBDLO Cc1c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000230013640 140205541 /nfs/dbraw/zinc/20/55/41/140205541.db2.gz OGTRGVYEVDYXSY-GXFFZTMASA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1c(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000230013640 140205542 /nfs/dbraw/zinc/20/55/42/140205542.db2.gz OGTRGVYEVDYXSY-GXFFZTMASA-N 1 2 280.324 1.485 20 5 CDBDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182036359 148237194 /nfs/dbraw/zinc/23/71/94/148237194.db2.gz CUVAUONKBGFWLY-LLVKDONJSA-N 1 2 283.715 1.698 20 5 CDBDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182036359 148237196 /nfs/dbraw/zinc/23/71/96/148237196.db2.gz CUVAUONKBGFWLY-LLVKDONJSA-N 1 2 283.715 1.698 20 5 CDBDLO Cn1cc[nH+]c1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347413290 153519830 /nfs/dbraw/zinc/51/98/30/153519830.db2.gz SHHSTYBMVMXOMC-UHFFFAOYSA-N 1 2 284.279 1.306 20 5 CDBDLO C[N@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349880156 154254259 /nfs/dbraw/zinc/25/42/59/154254259.db2.gz ZYTBHZQKPMVOLT-UHFFFAOYSA-N 1 2 289.291 1.772 20 5 CDBDLO C[N@@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349880156 154254260 /nfs/dbraw/zinc/25/42/60/154254260.db2.gz ZYTBHZQKPMVOLT-UHFFFAOYSA-N 1 2 289.291 1.772 20 5 CDBDLO O=[N+]([O-])c1c(Cl)ncnc1NCCCn1cc[nH+]c1 ZINC000040571551 174338648 /nfs/dbraw/zinc/33/86/48/174338648.db2.gz IGKQTLZRBDVDBX-UHFFFAOYSA-N 1 2 282.691 1.737 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+](CCO)CCO)c1 ZINC000040750617 174395936 /nfs/dbraw/zinc/39/59/36/174395936.db2.gz XEUXUHMQPRBGTB-UHFFFAOYSA-N 1 2 274.704 1.035 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000523754981 281100303 /nfs/dbraw/zinc/10/03/03/281100303.db2.gz KQZNZSGGCFOJNY-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000523754981 281100307 /nfs/dbraw/zinc/10/03/07/281100307.db2.gz KQZNZSGGCFOJNY-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330455453 289981214 /nfs/dbraw/zinc/98/12/14/289981214.db2.gz NVXAIJZHLXUNEX-VHSXEESVSA-N 1 2 266.297 1.815 20 5 CDBDLO CCOC(=O)C[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000553276022 290108545 /nfs/dbraw/zinc/10/85/45/290108545.db2.gz DGVNLGTYQIUQHH-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO CCOC(=O)C[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000553276022 290108548 /nfs/dbraw/zinc/10/85/48/290108548.db2.gz DGVNLGTYQIUQHH-UHFFFAOYSA-N 1 2 296.323 1.859 20 5 CDBDLO Cn1cnnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571104116 294370729 /nfs/dbraw/zinc/37/07/29/294370729.db2.gz OMIKLAIOFDHAEN-NSHDSACASA-N 1 2 273.296 1.500 20 5 CDBDLO CCn1cnnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581201943 324681311 /nfs/dbraw/zinc/68/13/11/324681311.db2.gz ZHNZDGGRMRTOKV-LBPRGKRZSA-N 1 2 287.323 1.983 20 5 CDBDLO Cn1cnnc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444065 527524748 /nfs/dbraw/zinc/52/47/48/527524748.db2.gz LHNPKELCTQFNII-UHFFFAOYSA-N 1 2 281.703 1.667 20 5 CDBDLO COc1cccc(C(=O)OCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000774122460 575182773 /nfs/dbraw/zinc/18/27/73/575182773.db2.gz JAROFHMJLIQNJH-UHFFFAOYSA-N 1 2 291.263 1.694 20 5 CDBDLO COC1(C)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000774638634 575222540 /nfs/dbraw/zinc/22/25/40/575222540.db2.gz CEZIGEODGPLTPC-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340966113 617369874 /nfs/dbraw/zinc/36/98/74/617369874.db2.gz KDYHOLBHBRBSJD-GHMZBOCLSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340966113 617369876 /nfs/dbraw/zinc/36/98/76/617369876.db2.gz KDYHOLBHBRBSJD-GHMZBOCLSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1noc(COC(=O)[C@H]2CCC[N@H+]2C(C)C)c1[N+](=O)[O-] ZINC000923892396 621670348 /nfs/dbraw/zinc/67/03/48/621670348.db2.gz WWUPGJLKNQVPPK-SNVBAGLBSA-N 1 2 297.311 1.807 20 5 CDBDLO Cc1noc(COC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000923892396 621670351 /nfs/dbraw/zinc/67/03/51/621670351.db2.gz WWUPGJLKNQVPPK-SNVBAGLBSA-N 1 2 297.311 1.807 20 5 CDBDLO COc1ccc(C[C@@H](C)[NH+]2CC(OC)C2)c([N+](=O)[O-])c1 ZINC001170328637 1162338219 /nfs/dbraw/zinc/33/82/19/1162338219.db2.gz KXZJILGJSKXIPI-SNVBAGLBSA-N 1 2 280.324 1.865 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000872770891 829855442 /nfs/dbraw/zinc/85/54/42/829855442.db2.gz BWJPIFHEDSKAIX-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000872770891 829855443 /nfs/dbraw/zinc/85/54/43/829855443.db2.gz BWJPIFHEDSKAIX-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CCCO1 ZINC000799164547 833761293 /nfs/dbraw/zinc/76/12/93/833761293.db2.gz SNLXDMMQUUXZQD-LLVKDONJSA-N 1 2 268.317 1.558 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CCCO1 ZINC000799164547 833761318 /nfs/dbraw/zinc/76/13/18/833761318.db2.gz SNLXDMMQUUXZQD-LLVKDONJSA-N 1 2 268.317 1.558 20 5 CDBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CCCO1 ZINC000799164550 832084074 /nfs/dbraw/zinc/08/40/74/832084074.db2.gz SNLXDMMQUUXZQD-NSHDSACASA-N 1 2 268.317 1.558 20 5 CDBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CCCO1 ZINC000799164550 832084078 /nfs/dbraw/zinc/08/40/78/832084078.db2.gz SNLXDMMQUUXZQD-NSHDSACASA-N 1 2 268.317 1.558 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000886145478 832314070 /nfs/dbraw/zinc/31/40/70/832314070.db2.gz ZPILTBCYUWYPIP-NSHDSACASA-N 1 2 274.284 1.028 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000886145478 832314078 /nfs/dbraw/zinc/31/40/78/832314078.db2.gz ZPILTBCYUWYPIP-NSHDSACASA-N 1 2 274.284 1.028 20 5 CDBDLO O=C(NCC[NH+]1CCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778393777 834719001 /nfs/dbraw/zinc/71/90/01/834719001.db2.gz LKRPVWFSYJVEJA-UHFFFAOYSA-N 1 2 299.277 1.509 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)C(=O)C1 ZINC001173230604 912328301 /nfs/dbraw/zinc/32/83/01/912328301.db2.gz ZBUGMAZKMVAZOR-LLVKDONJSA-N 1 2 277.324 1.300 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)C(=O)C1 ZINC001173230604 912328320 /nfs/dbraw/zinc/32/83/20/912328320.db2.gz ZBUGMAZKMVAZOR-LLVKDONJSA-N 1 2 277.324 1.300 20 5 CDBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc(Cn2cc[nH+]c2)n1 ZINC001212537159 922721431 /nfs/dbraw/zinc/72/14/31/922721431.db2.gz ATVRWXFGDSGUHY-UHFFFAOYSA-N 1 2 290.214 1.424 20 5 CDBDLO CCc1nnc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040284 927654306 /nfs/dbraw/zinc/65/43/06/927654306.db2.gz ZIMISZKGVIMONY-WDEREUQCSA-N 1 2 279.344 1.102 20 5 CDBDLO CCc1nnc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040284 927654316 /nfs/dbraw/zinc/65/43/16/927654316.db2.gz ZIMISZKGVIMONY-WDEREUQCSA-N 1 2 279.344 1.102 20 5 CDBDLO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228003682 942254496 /nfs/dbraw/zinc/25/44/96/942254496.db2.gz DOFXCABTFQYVDM-VIFPVBQESA-O 1 2 263.321 1.204 20 5 CDBDLO Cc1[nH]c(=O)cc(O[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001228687384 942357930 /nfs/dbraw/zinc/35/79/30/942357930.db2.gz WEPRMYIMFXQUGW-VIFPVBQESA-N 1 2 297.311 1.103 20 5 CDBDLO Cc1cc(C(=O)NCCc2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC001263974540 944048134 /nfs/dbraw/zinc/04/81/34/944048134.db2.gz VWRNCMGKZOWTPR-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254601125 947549220 /nfs/dbraw/zinc/54/92/20/947549220.db2.gz ZSYUBZUZHMIMLD-QMTHXVAHSA-N 1 2 274.320 1.973 20 5 CDBDLO C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254601125 947549232 /nfs/dbraw/zinc/54/92/32/947549232.db2.gz ZSYUBZUZHMIMLD-QMTHXVAHSA-N 1 2 274.320 1.973 20 5 CDBDLO COc1cc([N+](=O)[O-])cnc1N1CCn2c[nH+]cc2C1 ZINC001334213502 958942544 /nfs/dbraw/zinc/94/25/44/958942544.db2.gz IXLYLNGOZILTOY-UHFFFAOYSA-N 1 2 275.268 1.215 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC001321656404 959890926 /nfs/dbraw/zinc/89/09/26/959890926.db2.gz QONGJVHTEWOSQP-UHFFFAOYSA-N 1 2 261.285 1.419 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCc1ccn2cc[nH+]c2c1 ZINC001347398124 965508532 /nfs/dbraw/zinc/50/85/32/965508532.db2.gz KWOMBZUDSYZTRO-UHFFFAOYSA-N 1 2 283.291 1.980 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001521993680 970386586 /nfs/dbraw/zinc/38/65/86/970386586.db2.gz SDOJPCCJSVKLOE-UHFFFAOYSA-N 1 2 288.307 1.230 20 5 CDBDLO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611535241 346814695 /nfs/dbraw/zinc/81/46/95/346814695.db2.gz DSUWIXXSPRYTHE-UHFFFAOYSA-N 1 2 295.339 1.714 20 5 CDBDLO O=C(CC[NH2+]C1CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581029 342054891 /nfs/dbraw/zinc/05/48/91/342054891.db2.gz WHNVBSUMZRCGKU-UHFFFAOYSA-N 1 2 265.269 1.381 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2C)n1 ZINC000166762734 361999721 /nfs/dbraw/zinc/99/97/21/361999721.db2.gz OUEAUMXQVODIOT-UHFFFAOYSA-N 1 2 291.267 1.122 20 5 CDBDLO CN1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595772480 343147610 /nfs/dbraw/zinc/14/76/10/343147610.db2.gz LFTNHTXJNGVQMN-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO CN1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595772480 343147612 /nfs/dbraw/zinc/14/76/12/343147612.db2.gz LFTNHTXJNGVQMN-UHFFFAOYSA-N 1 2 263.297 1.259 20 5 CDBDLO CCc1nn(C)c(NCc2ccc[nH+]c2N)c1[N+](=O)[O-] ZINC000596252749 343275208 /nfs/dbraw/zinc/27/52/08/343275208.db2.gz LTQOJILSQJUIIJ-UHFFFAOYSA-N 1 2 276.300 1.480 20 5 CDBDLO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000294993832 199289497 /nfs/dbraw/zinc/28/94/97/199289497.db2.gz ORWAENGLOFQWNV-NSHDSACASA-N 1 2 282.344 1.471 20 5 CDBDLO CCc1n[nH]c(C(=O)N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598459739 343804815 /nfs/dbraw/zinc/80/48/15/343804815.db2.gz LZMSSQHXDMULOR-SSDOTTSWSA-N 1 2 292.299 1.105 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nccs1 ZINC000602783084 344597617 /nfs/dbraw/zinc/59/76/17/344597617.db2.gz MXXQQYQWWHCRAZ-UHFFFAOYSA-N 1 2 281.341 1.688 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nccs1 ZINC000602783084 344597619 /nfs/dbraw/zinc/59/76/19/344597619.db2.gz MXXQQYQWWHCRAZ-UHFFFAOYSA-N 1 2 281.341 1.688 20 5 CDBDLO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000314453824 344912263 /nfs/dbraw/zinc/91/22/63/344912263.db2.gz DVOPCCQIDLRDIY-ONGXEEELSA-N 1 2 293.323 1.465 20 5 CDBDLO Cc1ccc([C@H](C)[NH2+]Cc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000283664697 362538021 /nfs/dbraw/zinc/53/80/21/362538021.db2.gz DKJAXXCTGSQECK-VIFPVBQESA-N 1 2 261.285 1.872 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1CC(F)(F)F ZINC000077566649 350720627 /nfs/dbraw/zinc/72/06/27/350720627.db2.gz UVBMFVFNAZOLIB-UHFFFAOYSA-N 1 2 289.217 1.907 20 5 CDBDLO COc1cc(C[NH2+]Cc2ccccn2)c([N+](=O)[O-])cc1O ZINC000067697103 350970635 /nfs/dbraw/zinc/97/06/35/350970635.db2.gz ONPCRHCZENJYDS-UHFFFAOYSA-N 1 2 289.291 1.994 20 5 CDBDLO CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000094776225 351370766 /nfs/dbraw/zinc/37/07/66/351370766.db2.gz AUVRFIWMNXWQKI-UHFFFAOYSA-N 1 2 265.313 1.859 20 5 CDBDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292210805 198203485 /nfs/dbraw/zinc/20/34/85/198203485.db2.gz MISOSCBVGRLBMA-GFCCVEGCSA-N 1 2 298.364 1.461 20 5 CDBDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292210805 198203487 /nfs/dbraw/zinc/20/34/87/198203487.db2.gz MISOSCBVGRLBMA-GFCCVEGCSA-N 1 2 298.364 1.461 20 5 CDBDLO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000271815765 191344962 /nfs/dbraw/zinc/34/49/62/191344962.db2.gz LXDVFECJGWJOGK-UHFFFAOYSA-N 1 2 291.307 1.292 20 5 CDBDLO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000271815765 191344965 /nfs/dbraw/zinc/34/49/65/191344965.db2.gz LXDVFECJGWJOGK-UHFFFAOYSA-N 1 2 291.307 1.292 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272986753 192009427 /nfs/dbraw/zinc/00/94/27/192009427.db2.gz ZXTHQUSKYAZHBY-VXGBXAGGSA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272986753 192009429 /nfs/dbraw/zinc/00/94/29/192009429.db2.gz ZXTHQUSKYAZHBY-VXGBXAGGSA-N 1 2 296.323 1.055 20 5 CDBDLO CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627485 356321507 /nfs/dbraw/zinc/32/15/07/356321507.db2.gz CEYGKBDEVLRZKK-UHFFFAOYSA-N 1 2 260.253 1.530 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000358592471 356309711 /nfs/dbraw/zinc/30/97/11/356309711.db2.gz HGGWXPVGKLQBHE-UHFFFAOYSA-N 1 2 266.282 1.618 20 5 CDBDLO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610272636 357679361 /nfs/dbraw/zinc/67/93/61/357679361.db2.gz HJJKERPSYVLJLM-UHFFFAOYSA-N 1 2 271.342 1.425 20 5 CDBDLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000291293543 358910963 /nfs/dbraw/zinc/91/09/63/358910963.db2.gz PTNMVAWOHHFWRP-CQSZACIVSA-N 1 2 280.324 1.832 20 5 CDBDLO COCC[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000291293543 358910967 /nfs/dbraw/zinc/91/09/67/358910967.db2.gz PTNMVAWOHHFWRP-CQSZACIVSA-N 1 2 280.324 1.832 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCSCC1 ZINC000103468560 358924345 /nfs/dbraw/zinc/92/43/45/358924345.db2.gz IWOJEKMNIMTKFJ-UHFFFAOYSA-N 1 2 295.364 1.891 20 5 CDBDLO Cc1c(C[NH2+][C@@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000050418872 359452809 /nfs/dbraw/zinc/45/28/09/359452809.db2.gz MYMGFOFMJRMGFW-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000340193253 359590931 /nfs/dbraw/zinc/59/09/31/359590931.db2.gz WZSLLLAFRYMQJF-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c[nH]1 ZINC000088759166 366612341 /nfs/dbraw/zinc/61/23/41/366612341.db2.gz SANAWSHGHNROOL-UHFFFAOYSA-N 1 2 276.252 1.013 20 5 CDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c[nH]c[nH+]1 ZINC000088759166 366612346 /nfs/dbraw/zinc/61/23/46/366612346.db2.gz SANAWSHGHNROOL-UHFFFAOYSA-N 1 2 276.252 1.013 20 5 CDBDLO Cc1ccnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265191676 361348473 /nfs/dbraw/zinc/34/84/73/361348473.db2.gz LAKICGAHUDCABJ-NWDGAFQWSA-N 1 2 294.355 1.819 20 5 CDBDLO CN(CCC[NH+]1CCN(C)CC1)c1sccc1[N+](=O)[O-] ZINC000302047121 201317938 /nfs/dbraw/zinc/31/79/38/201317938.db2.gz YRFSQNSWJVJOHE-UHFFFAOYSA-N 1 2 298.412 1.730 20 5 CDBDLO Cc1noc([C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000582070632 364067294 /nfs/dbraw/zinc/06/72/94/364067294.db2.gz RAIKGTAAWDIFEM-QMMMGPOBSA-N 1 2 280.288 1.176 20 5 CDBDLO Cc1noc([C@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000582070632 364067302 /nfs/dbraw/zinc/06/73/02/364067302.db2.gz RAIKGTAAWDIFEM-QMMMGPOBSA-N 1 2 280.288 1.176 20 5 CDBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174811892 364570773 /nfs/dbraw/zinc/57/07/73/364570773.db2.gz WOWZGCCEGXTCPJ-LBPRGKRZSA-N 1 2 296.327 1.209 20 5 CDBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174811892 364570777 /nfs/dbraw/zinc/57/07/77/364570777.db2.gz WOWZGCCEGXTCPJ-LBPRGKRZSA-N 1 2 296.327 1.209 20 5 CDBDLO Cc1cc(N)nc(SCc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC000356562058 372945076 /nfs/dbraw/zinc/94/50/76/372945076.db2.gz MELPMCDVCZWXIR-UHFFFAOYSA-N 1 2 280.313 1.132 20 5 CDBDLO CN(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130809302 373744122 /nfs/dbraw/zinc/74/41/22/373744122.db2.gz CYSOAHCSUKYJOJ-UHFFFAOYSA-N 1 2 277.324 1.647 20 5 CDBDLO CN(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130809302 373744124 /nfs/dbraw/zinc/74/41/24/373744124.db2.gz CYSOAHCSUKYJOJ-UHFFFAOYSA-N 1 2 277.324 1.647 20 5 CDBDLO CCc1nn(C)c(N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000091560641 374040521 /nfs/dbraw/zinc/04/05/21/374040521.db2.gz XZXHMBLMLVVLDV-SNVBAGLBSA-N 1 2 297.359 1.023 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000369135111 374347382 /nfs/dbraw/zinc/34/73/82/374347382.db2.gz SQKOADDGSKLROT-IUODEOHRSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000369135111 374347389 /nfs/dbraw/zinc/34/73/89/374347389.db2.gz SQKOADDGSKLROT-IUODEOHRSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000373024093 374458840 /nfs/dbraw/zinc/45/88/40/374458840.db2.gz XETLJDWADZSQEB-NSPYISDASA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000373024093 374458846 /nfs/dbraw/zinc/45/88/46/374458846.db2.gz XETLJDWADZSQEB-NSPYISDASA-N 1 2 282.365 1.938 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000118400790 374656728 /nfs/dbraw/zinc/65/67/28/374656728.db2.gz SHFYMQYIEDRWCS-NSHDSACASA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000118400790 374656739 /nfs/dbraw/zinc/65/67/39/374656739.db2.gz SHFYMQYIEDRWCS-NSHDSACASA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1ccnc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000070495837 374663912 /nfs/dbraw/zinc/66/39/12/374663912.db2.gz RBIYBVDEXMSJSF-UHFFFAOYSA-N 1 2 261.285 1.997 20 5 CDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000331080308 374886193 /nfs/dbraw/zinc/88/61/93/374886193.db2.gz YTJUIXBFQHHQKK-SECBINFHSA-N 1 2 270.358 1.656 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000331080308 374886196 /nfs/dbraw/zinc/88/61/96/374886196.db2.gz YTJUIXBFQHHQKK-SECBINFHSA-N 1 2 270.358 1.656 20 5 CDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCn1cc[nH+]c1 ZINC000299547815 374906743 /nfs/dbraw/zinc/90/67/43/374906743.db2.gz CFIFBWWNRPTHIS-UHFFFAOYSA-N 1 2 288.307 1.840 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])s1 ZINC000226771257 375395615 /nfs/dbraw/zinc/39/56/15/375395615.db2.gz RHRXIAVLYRWPBN-ZETCQYMHSA-N 1 2 253.287 1.748 20 5 CDBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351977489 375345726 /nfs/dbraw/zinc/34/57/26/375345726.db2.gz HYVRMXVGOMFVLZ-JTQLQIEISA-N 1 2 266.297 1.824 20 5 CDBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351977489 375345730 /nfs/dbraw/zinc/34/57/30/375345730.db2.gz HYVRMXVGOMFVLZ-JTQLQIEISA-N 1 2 266.297 1.824 20 5 CDBDLO CCCC[N@H+](CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000058137581 375667983 /nfs/dbraw/zinc/66/79/83/375667983.db2.gz RZWSUAGIGFZDQC-UHFFFAOYSA-N 1 2 283.303 1.821 20 5 CDBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000058137581 375667989 /nfs/dbraw/zinc/66/79/89/375667989.db2.gz RZWSUAGIGFZDQC-UHFFFAOYSA-N 1 2 283.303 1.821 20 5 CDBDLO Cc1cnc(NCC[N@@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000172808035 377764164 /nfs/dbraw/zinc/76/41/64/377764164.db2.gz DHTCXLPNZIFRPJ-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1cnc(NCC[N@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000172808035 377764172 /nfs/dbraw/zinc/76/41/72/377764172.db2.gz DHTCXLPNZIFRPJ-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO O=C(COc1ccccc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC000134491196 390205945 /nfs/dbraw/zinc/20/59/45/390205945.db2.gz XWSHCTCEJJDGRA-UHFFFAOYSA-N 1 2 290.279 1.056 20 5 CDBDLO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCC1 ZINC000262246882 131204820 /nfs/dbraw/zinc/20/48/20/131204820.db2.gz SFUUBYXEGMZZFS-UHFFFAOYSA-N 1 2 279.296 1.302 20 5 CDBDLO Cn1c[nH+]cc1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000525941833 392944720 /nfs/dbraw/zinc/94/47/20/392944720.db2.gz HKFOPSHPBOBUHL-UHFFFAOYSA-N 1 2 288.307 1.230 20 5 CDBDLO CCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210383 393093719 /nfs/dbraw/zinc/09/37/19/393093719.db2.gz UJATVKMHJUIBLT-UHFFFAOYSA-N 1 2 295.339 1.691 20 5 CDBDLO CCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210383 393093723 /nfs/dbraw/zinc/09/37/23/393093723.db2.gz UJATVKMHJUIBLT-UHFFFAOYSA-N 1 2 295.339 1.691 20 5 CDBDLO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581908 140241625 /nfs/dbraw/zinc/24/16/25/140241625.db2.gz YRUFMUBVHIZWNW-QMMMGPOBSA-N 1 2 297.336 1.334 20 5 CDBDLO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000066924668 397602212 /nfs/dbraw/zinc/60/22/12/397602212.db2.gz XCYQXNMPDZFHMN-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000066924668 397602215 /nfs/dbraw/zinc/60/22/15/397602215.db2.gz XCYQXNMPDZFHMN-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286717593 397964056 /nfs/dbraw/zinc/96/40/56/397964056.db2.gz CFPISNIPXBIZCV-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286717593 397964062 /nfs/dbraw/zinc/96/40/62/397964062.db2.gz CFPISNIPXBIZCV-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343297434 152108561 /nfs/dbraw/zinc/10/85/61/152108561.db2.gz MRGHFCBHCZGOAM-UHFFFAOYSA-N 1 2 299.290 1.740 20 5 CDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2[nH+]ccn21 ZINC000358787683 158026954 /nfs/dbraw/zinc/02/69/54/158026954.db2.gz DPLVFXSZVDUWCN-UHFFFAOYSA-N 1 2 286.251 1.078 20 5 CDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnn(C)n1 ZINC000362956578 159276616 /nfs/dbraw/zinc/27/66/16/159276616.db2.gz APNABVJBMSJHOA-POHAHGRESA-N 1 2 288.311 1.311 20 5 CDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332205523 277123923 /nfs/dbraw/zinc/12/39/23/277123923.db2.gz FENVESMHACHVEV-ZIAGYGMSSA-N 1 2 277.324 1.110 20 5 CDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332205523 277123924 /nfs/dbraw/zinc/12/39/24/277123924.db2.gz FENVESMHACHVEV-ZIAGYGMSSA-N 1 2 277.324 1.110 20 5 CDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2[nH+]ccn21 ZINC000456361406 277982441 /nfs/dbraw/zinc/98/24/41/277982441.db2.gz DLPIMYDLGGUJOD-RKDXNWHRSA-N 1 2 289.295 1.566 20 5 CDBDLO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449748558 281397028 /nfs/dbraw/zinc/39/70/28/281397028.db2.gz BWMWTVNDGNULHZ-NSHDSACASA-N 1 2 279.296 1.171 20 5 CDBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(F)cncc1F ZINC000353203966 525429113 /nfs/dbraw/zinc/42/91/13/525429113.db2.gz MWESCAVEAPKSEX-ZETCQYMHSA-N 1 2 297.265 1.852 20 5 CDBDLO COc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000575633454 574695553 /nfs/dbraw/zinc/69/55/53/574695553.db2.gz MFUCYUTZBUEBSA-UHFFFAOYSA-N 1 2 298.280 1.127 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000735832766 575515771 /nfs/dbraw/zinc/51/57/71/575515771.db2.gz ORCPKAHKPBNPRB-UHFFFAOYSA-N 1 2 277.240 1.863 20 5 CDBDLO Cc1c(C(=O)OCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000763117301 576715124 /nfs/dbraw/zinc/71/51/24/576715124.db2.gz XKCGSPDTQPDPCV-UHFFFAOYSA-N 1 2 275.264 1.957 20 5 CDBDLO CC[N@H+](CC(=O)NC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000764205088 576785407 /nfs/dbraw/zinc/78/54/07/576785407.db2.gz SQIPPTONOQPHSC-JTQLQIEISA-N 1 2 265.313 1.724 20 5 CDBDLO CC[N@@H+](CC(=O)NC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000764205088 576785408 /nfs/dbraw/zinc/78/54/08/576785408.db2.gz SQIPPTONOQPHSC-JTQLQIEISA-N 1 2 265.313 1.724 20 5 CDBDLO CCC[N@H+](CC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000750602152 576996968 /nfs/dbraw/zinc/99/69/68/576996968.db2.gz IWZBXBMOSAWNNN-UHFFFAOYSA-N 1 2 291.307 1.880 20 5 CDBDLO CCC[N@@H+](CC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000750602152 576996969 /nfs/dbraw/zinc/99/69/69/576996969.db2.gz IWZBXBMOSAWNNN-UHFFFAOYSA-N 1 2 291.307 1.880 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000759057015 577150207 /nfs/dbraw/zinc/15/02/07/577150207.db2.gz IITRJRFFHDUWEI-UHFFFAOYSA-N 1 2 289.251 1.761 20 5 CDBDLO Cc1cnc(NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000133588394 1175806172 /nfs/dbraw/zinc/80/61/72/1175806172.db2.gz YYWCSOQMRCBHDR-UHFFFAOYSA-N 1 2 261.285 1.997 20 5 CDBDLO C[N@H+](CCc1nccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000157170443 835900326 /nfs/dbraw/zinc/90/03/26/835900326.db2.gz IFDCOKBNPDNSLM-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO C[N@@H+](CCc1nccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000157170443 835900342 /nfs/dbraw/zinc/90/03/42/835900342.db2.gz IFDCOKBNPDNSLM-UHFFFAOYSA-N 1 2 267.314 1.380 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nncn1C ZINC000094773641 836502636 /nfs/dbraw/zinc/50/26/36/836502636.db2.gz DGADXUWPEXNDGA-QMMMGPOBSA-N 1 2 279.275 1.713 20 5 CDBDLO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840305346 837853567 /nfs/dbraw/zinc/85/35/67/837853567.db2.gz MPAFIPWCRUWGHF-CHWSQXEVSA-N 1 2 293.323 1.231 20 5 CDBDLO CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830120994 837998701 /nfs/dbraw/zinc/99/87/01/837998701.db2.gz YBJBMELUKYWJTP-UHFFFAOYSA-N 1 2 269.276 1.302 20 5 CDBDLO CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830120994 837998713 /nfs/dbraw/zinc/99/87/13/837998713.db2.gz YBJBMELUKYWJTP-UHFFFAOYSA-N 1 2 269.276 1.302 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000775096524 838796835 /nfs/dbraw/zinc/79/68/35/838796835.db2.gz DEAMKMCIFHBVHW-GXFFZTMASA-N 1 2 293.279 1.317 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000775096524 838796865 /nfs/dbraw/zinc/79/68/65/838796865.db2.gz DEAMKMCIFHBVHW-GXFFZTMASA-N 1 2 293.279 1.317 20 5 CDBDLO COCCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000126958410 840017568 /nfs/dbraw/zinc/01/75/68/840017568.db2.gz TVRJGEICZJUZIG-UHFFFAOYSA-N 1 2 295.295 1.429 20 5 CDBDLO COCCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000126958410 840017582 /nfs/dbraw/zinc/01/75/82/840017582.db2.gz TVRJGEICZJUZIG-UHFFFAOYSA-N 1 2 295.295 1.429 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882719951 841072727 /nfs/dbraw/zinc/07/27/27/841072727.db2.gz FQMYVYDOENPGMB-SNVBAGLBSA-N 1 2 298.318 1.652 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882719951 841072741 /nfs/dbraw/zinc/07/27/41/841072741.db2.gz FQMYVYDOENPGMB-SNVBAGLBSA-N 1 2 298.318 1.652 20 5 CDBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000798197577 842175594 /nfs/dbraw/zinc/17/55/94/842175594.db2.gz 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O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)nc2c1 ZINC000590005431 342519050 /nfs/dbraw/zinc/51/90/50/342519050.db2.gz SKKNNRCAOBSKQX-URLYPYJESA-N 1 2 288.307 1.141 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)nc2c1 ZINC000590005431 342519051 /nfs/dbraw/zinc/51/90/51/342519051.db2.gz SKKNNRCAOBSKQX-URLYPYJESA-N 1 2 288.307 1.141 20 5 CDBDLO CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000308312867 342561982 /nfs/dbraw/zinc/56/19/82/342561982.db2.gz SOEFOSZIQBUJCR-UHFFFAOYSA-N 1 2 269.276 1.302 20 5 CDBDLO CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000308312867 342561983 /nfs/dbraw/zinc/56/19/83/342561983.db2.gz SOEFOSZIQBUJCR-UHFFFAOYSA-N 1 2 269.276 1.302 20 5 CDBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000590661412 342581387 /nfs/dbraw/zinc/58/13/87/342581387.db2.gz GNWFYGZAIPXHRL-PRHODGIISA-N 1 2 252.270 1.256 20 5 CDBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000590661412 342581388 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COc1ccc(C[N@@H+](C)Cc2n[nH]c(=O)o2)cc1[N+](=O)[O-] ZINC000595547435 343084445 /nfs/dbraw/zinc/08/44/45/343084445.db2.gz OMYSYYGQEAYDJV-UHFFFAOYSA-N 1 2 294.267 1.324 20 5 CDBDLO COC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000079499221 342345158 /nfs/dbraw/zinc/34/51/58/342345158.db2.gz CGFNKEAMXDNGKE-UHFFFAOYSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000079499221 342345159 /nfs/dbraw/zinc/34/51/59/342345159.db2.gz CGFNKEAMXDNGKE-UHFFFAOYSA-N 1 2 294.307 1.611 20 5 CDBDLO Cc1ccc(N(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000080611198 342357713 /nfs/dbraw/zinc/35/77/13/342357713.db2.gz GYSMVCVINDQVPX-UHFFFAOYSA-N 1 2 279.340 1.672 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596432820 343319829 /nfs/dbraw/zinc/31/98/29/343319829.db2.gz SXMBRYBHJPZIBS-VHSXEESVSA-N 1 2 298.318 1.650 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596432820 343319832 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O=[N+]([O-])c1cnn(CC[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000610890176 346480915 /nfs/dbraw/zinc/48/09/15/346480915.db2.gz NMPUKDUPEDPJHO-UHFFFAOYSA-N 1 2 286.295 1.457 20 5 CDBDLO C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000057838207 347101734 /nfs/dbraw/zinc/10/17/34/347101734.db2.gz QXWQQFICNMJSQK-GFCCVEGCSA-N 1 2 278.356 1.643 20 5 CDBDLO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)Cn1cc[nH+]c1 ZINC000060380079 347432298 /nfs/dbraw/zinc/43/22/98/347432298.db2.gz SHAUTPFECPTYHO-VIFPVBQESA-N 1 2 264.289 1.273 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186480564 357653041 /nfs/dbraw/zinc/65/30/41/357653041.db2.gz BRCZTLHQSFQIJR-QWRGUYRKSA-N 1 2 286.715 1.176 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186480564 357653042 /nfs/dbraw/zinc/65/30/42/357653042.db2.gz BRCZTLHQSFQIJR-QWRGUYRKSA-N 1 2 286.715 1.176 20 5 CDBDLO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294697237 199139089 /nfs/dbraw/zinc/13/90/89/199139089.db2.gz 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359289947 /nfs/dbraw/zinc/28/99/47/359289947.db2.gz BUENXSMHKNVZDS-CYBMUJFWSA-N 1 2 266.297 1.647 20 5 CDBDLO CC[C@@]1(O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099471 359289950 /nfs/dbraw/zinc/28/99/50/359289950.db2.gz BUENXSMHKNVZDS-CYBMUJFWSA-N 1 2 266.297 1.647 20 5 CDBDLO COCCO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339111685 359290792 /nfs/dbraw/zinc/29/07/92/359290792.db2.gz QIWCWKOFURHWRF-ZDUSSCGKSA-N 1 2 296.323 1.538 20 5 CDBDLO COCCO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339111685 359290802 /nfs/dbraw/zinc/29/08/02/359290802.db2.gz QIWCWKOFURHWRF-ZDUSSCGKSA-N 1 2 296.323 1.538 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(N)=O ZINC000272320005 367677794 /nfs/dbraw/zinc/67/77/94/367677794.db2.gz KDHKJDOUQAPXRT-SECBINFHSA-N 1 2 251.286 1.381 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(N)=O ZINC000272320005 367677799 /nfs/dbraw/zinc/67/77/99/367677799.db2.gz KDHKJDOUQAPXRT-SECBINFHSA-N 1 2 251.286 1.381 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000114125335 374297179 /nfs/dbraw/zinc/29/71/79/374297179.db2.gz HUMXPZSDYPRKAY-UHFFFAOYSA-N 1 2 286.251 1.124 20 5 CDBDLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420945763 374306442 /nfs/dbraw/zinc/30/64/42/374306442.db2.gz SCEVYVBIPCOQBI-GHMZBOCLSA-N 1 2 280.324 1.751 20 5 CDBDLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420945763 374306448 /nfs/dbraw/zinc/30/64/48/374306448.db2.gz SCEVYVBIPCOQBI-GHMZBOCLSA-N 1 2 280.324 1.751 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114454728 374313029 /nfs/dbraw/zinc/31/30/29/374313029.db2.gz QNOXFTKORYFXPY-ZDUSSCGKSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114454728 374313038 /nfs/dbraw/zinc/31/30/38/374313038.db2.gz QNOXFTKORYFXPY-ZDUSSCGKSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)C1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000425375900 374436795 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O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000331564355 374972135 /nfs/dbraw/zinc/97/21/35/374972135.db2.gz UDQAYVKXGOZDMG-VIFPVBQESA-N 1 2 291.307 1.267 20 5 CDBDLO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000331564355 374972139 /nfs/dbraw/zinc/97/21/39/374972139.db2.gz UDQAYVKXGOZDMG-VIFPVBQESA-N 1 2 291.307 1.267 20 5 CDBDLO CO[C@H](C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332725216 375047253 /nfs/dbraw/zinc/04/72/53/375047253.db2.gz TVUZSXKGDKNQIU-SECBINFHSA-N 1 2 251.286 1.383 20 5 CDBDLO CO[C@H](C)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332725216 375047256 /nfs/dbraw/zinc/04/72/56/375047256.db2.gz TVUZSXKGDKNQIU-SECBINFHSA-N 1 2 251.286 1.383 20 5 CDBDLO CS(=O)(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000156514648 375063543 /nfs/dbraw/zinc/06/35/43/375063543.db2.gz SCJBSEUYSVLOJJ-UHFFFAOYSA-N 1 2 298.364 1.604 20 5 CDBDLO CS(=O)(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000156514648 375063553 /nfs/dbraw/zinc/06/35/53/375063553.db2.gz SCJBSEUYSVLOJJ-UHFFFAOYSA-N 1 2 298.364 1.604 20 5 CDBDLO CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000028285332 375230402 /nfs/dbraw/zinc/23/04/02/375230402.db2.gz JGUYFCHKNIYDSK-UHFFFAOYSA-N 1 2 293.323 1.971 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000493373839 375447541 /nfs/dbraw/zinc/44/75/41/375447541.db2.gz VPKFLCPFRHOQLO-AATRIKPKSA-N 1 2 286.291 1.690 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000353129441 375579762 /nfs/dbraw/zinc/57/97/62/375579762.db2.gz PYRJGVUGGFUUNM-UHFFFAOYSA-N 1 2 250.214 1.149 20 5 CDBDLO Cc1nn(Cc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000354915586 375760446 /nfs/dbraw/zinc/76/04/46/375760446.db2.gz FCDNKVAKRSIFTP-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO C[N@H+](CC(=O)NCC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000171732194 376973498 /nfs/dbraw/zinc/97/34/98/376973498.db2.gz GJLQJGJSEDMIDC-UHFFFAOYSA-N 1 2 291.351 1.943 20 5 CDBDLO C[N@@H+](CC(=O)NCC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000171732194 376973504 /nfs/dbraw/zinc/97/35/04/376973504.db2.gz GJLQJGJSEDMIDC-UHFFFAOYSA-N 1 2 291.351 1.943 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000267003978 379093251 /nfs/dbraw/zinc/09/32/51/379093251.db2.gz DZFCKCAQWPHRSK-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000267003978 379093260 /nfs/dbraw/zinc/09/32/60/379093260.db2.gz DZFCKCAQWPHRSK-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCn3c[nH+]cc3C2)s1 ZINC000290580047 285179052 /nfs/dbraw/zinc/17/90/52/285179052.db2.gz BWIXTLXRPMFQJX-UHFFFAOYSA-N 1 2 251.271 1.268 20 5 CDBDLO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186309298 391224464 /nfs/dbraw/zinc/22/44/64/391224464.db2.gz CXWUHQAUXNYAEF-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186309298 391224468 /nfs/dbraw/zinc/22/44/68/391224468.db2.gz CXWUHQAUXNYAEF-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2[nH+]ccn21 ZINC000456389747 391279968 /nfs/dbraw/zinc/27/99/68/391279968.db2.gz PZCPYUZTMXBWLY-VXNVDRBHSA-N 1 2 275.268 1.555 20 5 CDBDLO O=C1NC2(CO1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000495136476 391905503 /nfs/dbraw/zinc/90/55/03/391905503.db2.gz CKPOANFMALPWOC-UHFFFAOYSA-N 1 2 297.336 1.731 20 5 CDBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])o1 ZINC000449643269 393137808 /nfs/dbraw/zinc/13/78/08/393137808.db2.gz ABZLBAPGOLBIED-SSDOTTSWSA-N 1 2 289.238 1.162 20 5 CDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1C[NH3+] ZINC000424008750 296540916 /nfs/dbraw/zinc/54/09/16/296540916.db2.gz WGBPIUAKVDVJAQ-MWLCHTKSSA-N 1 2 293.323 1.357 20 5 CDBDLO CCn1ncnc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000355580270 157128092 /nfs/dbraw/zinc/12/80/92/157128092.db2.gz HTXWRJYAAAZUAG-UHFFFAOYSA-N 1 2 291.311 1.505 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cn2)CCO1 ZINC000362671390 159209708 /nfs/dbraw/zinc/20/97/08/159209708.db2.gz XDVGJTIIUAYTHG-GFCCVEGCSA-N 1 2 294.355 1.243 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])cn2)CCO1 ZINC000362671390 159209711 /nfs/dbraw/zinc/20/97/11/159209711.db2.gz XDVGJTIIUAYTHG-GFCCVEGCSA-N 1 2 294.355 1.243 20 5 CDBDLO C[C@@H](O)C[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000293179485 287096745 /nfs/dbraw/zinc/09/67/45/287096745.db2.gz TUWSDNUJRPEXIJ-SNVBAGLBSA-N 1 2 299.758 1.751 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1=O ZINC000285304682 196246252 /nfs/dbraw/zinc/24/62/52/196246252.db2.gz LNLWJSGHQUBWQZ-GFCCVEGCSA-N 1 2 264.281 1.385 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1=O ZINC000285304682 196246254 /nfs/dbraw/zinc/24/62/54/196246254.db2.gz LNLWJSGHQUBWQZ-GFCCVEGCSA-N 1 2 264.281 1.385 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000285477038 196297830 /nfs/dbraw/zinc/29/78/30/196297830.db2.gz CIUHTDMZEBSQER-MRVPVSSYSA-N 1 2 258.224 1.440 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000285477038 196297831 /nfs/dbraw/zinc/29/78/31/196297831.db2.gz CIUHTDMZEBSQER-MRVPVSSYSA-N 1 2 258.224 1.440 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076570999 177040913 /nfs/dbraw/zinc/04/09/13/177040913.db2.gz BNUQAOFDCGSBGL-LBPRGKRZSA-N 1 2 293.323 1.313 20 5 CDBDLO NC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076570999 177040915 /nfs/dbraw/zinc/04/09/15/177040915.db2.gz BNUQAOFDCGSBGL-LBPRGKRZSA-N 1 2 293.323 1.313 20 5 CDBDLO C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181933951 287368307 /nfs/dbraw/zinc/36/83/07/287368307.db2.gz ZLQQMIUTQFLSNS-LLVKDONJSA-N 1 2 298.364 1.853 20 5 CDBDLO C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181933951 287368310 /nfs/dbraw/zinc/36/83/10/287368310.db2.gz ZLQQMIUTQFLSNS-LLVKDONJSA-N 1 2 298.364 1.853 20 5 CDBDLO COc1ccc(NC(=O)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000010809355 262058146 /nfs/dbraw/zinc/05/81/46/262058146.db2.gz GUZZWSLYCZGRKP-UHFFFAOYSA-N 1 2 276.252 1.439 20 5 CDBDLO CC[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000447793349 270391254 /nfs/dbraw/zinc/39/12/54/270391254.db2.gz BRERVUOTOWJOKF-GFCCVEGCSA-N 1 2 281.312 1.548 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CO)C1 ZINC000267333974 290267190 /nfs/dbraw/zinc/26/71/90/290267190.db2.gz ALSUZLKZCZZSHG-GHMZBOCLSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CO)C1 ZINC000267333974 290267194 /nfs/dbraw/zinc/26/71/94/290267194.db2.gz ALSUZLKZCZZSHG-GHMZBOCLSA-N 1 2 266.297 1.349 20 5 CDBDLO CCOC(=O)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CC ZINC000183575222 323341173 /nfs/dbraw/zinc/34/11/73/323341173.db2.gz ANUORQGMCMZUNT-CMPLNLGQSA-N 1 2 298.343 1.359 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000278801499 524622233 /nfs/dbraw/zinc/62/22/33/524622233.db2.gz HSNNJTYRTBJHRL-NSHDSACASA-N 1 2 280.328 1.147 20 5 CDBDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678980 575059470 /nfs/dbraw/zinc/05/94/70/575059470.db2.gz UURCRUZEUKKIGY-ZDUSSCGKSA-N 1 2 276.296 1.450 20 5 CDBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC[N+](=O)[O-] ZINC000930363972 843110559 /nfs/dbraw/zinc/11/05/59/843110559.db2.gz MBYBZZGGVVKKOA-NEPJUHHUSA-N 1 2 262.313 1.317 20 5 CDBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC[N+](=O)[O-] ZINC000930363972 843110597 /nfs/dbraw/zinc/11/05/97/843110597.db2.gz MBYBZZGGVVKKOA-NEPJUHHUSA-N 1 2 262.313 1.317 20 5 CDBDLO C[C@H](CC(=O)OCC(C)(C)[N+](=O)[O-])n1cc[nH+]c1 ZINC000851129143 845808140 /nfs/dbraw/zinc/80/81/40/845808140.db2.gz JNRDAHNALMKSOF-SECBINFHSA-N 1 2 255.274 1.433 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882719950 846356114 /nfs/dbraw/zinc/35/61/14/846356114.db2.gz FQMYVYDOENPGMB-JTQLQIEISA-N 1 2 298.318 1.652 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882719950 846356118 /nfs/dbraw/zinc/35/61/18/846356118.db2.gz FQMYVYDOENPGMB-JTQLQIEISA-N 1 2 298.318 1.652 20 5 CDBDLO CC(C)(C)[NH+]1CC(Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593009 903180529 /nfs/dbraw/zinc/18/05/29/903180529.db2.gz KINICFOVXCGZQE-UHFFFAOYSA-N 1 2 251.286 1.851 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCO1 ZINC001152064463 937331423 /nfs/dbraw/zinc/33/14/23/937331423.db2.gz OXMOKLHWWNSRSZ-UHFFFAOYSA-N 1 2 288.263 1.558 20 5 CDBDLO O=[N+]([O-])c1c(N2CCn3c[nH+]cc3C2)nc2ccccn21 ZINC001117688454 937543096 /nfs/dbraw/zinc/54/30/96/937543096.db2.gz LCSBKPZESIZWRV-UHFFFAOYSA-N 1 2 284.279 1.459 20 5 CDBDLO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ncsc21 ZINC001227611391 942196375 /nfs/dbraw/zinc/19/63/75/942196375.db2.gz QLARQUVUHIETLM-ZETCQYMHSA-O 1 2 269.350 1.265 20 5 CDBDLO C[N@@H+]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228968404 942400514 /nfs/dbraw/zinc/40/05/14/942400514.db2.gz IZLNEHAECNCWKV-QMMMGPOBSA-N 1 2 254.242 1.089 20 5 CDBDLO C[N@H+]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228968404 942400516 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CDBDLO O=[N+]([O-])CCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247520592 948661073 /nfs/dbraw/zinc/66/10/73/948661073.db2.gz KCBYEYKIULKVKC-UHFFFAOYSA-N 1 2 285.263 1.742 20 5 CDBDLO O=C(CCn1cc[nH+]c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322111988 960091467 /nfs/dbraw/zinc/09/14/67/960091467.db2.gz STJNCVBVCKRZHI-UHFFFAOYSA-N 1 2 286.291 1.724 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOC3)c(F)c1 ZINC001324292276 961291239 /nfs/dbraw/zinc/29/12/39/961291239.db2.gz WGSXEICKFUALHQ-UHFFFAOYSA-N 1 2 266.272 1.956 20 5 CDBDLO O=C(c1ccc(F)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001351423804 966933280 /nfs/dbraw/zinc/93/32/80/966933280.db2.gz FEMNGMPAGTUIAM-UHFFFAOYSA-N 1 2 280.299 1.997 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000589206294 342501115 /nfs/dbraw/zinc/50/11/15/342501115.db2.gz RZDZKZDJJTUATE-VIFPVBQESA-N 1 2 279.296 1.011 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000589206294 342501116 /nfs/dbraw/zinc/50/11/16/342501116.db2.gz 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/nfs/dbraw/zinc/58/83/59/342588359.db2.gz KALPWZUIMCXTIO-NSHDSACASA-N 1 2 282.369 1.656 20 5 CDBDLO CN(C)C(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083131959 178339505 /nfs/dbraw/zinc/33/95/05/178339505.db2.gz HSZBMDYZDRHJPX-UHFFFAOYSA-N 1 2 292.295 1.256 20 5 CDBDLO CN(C)C(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083131959 178339507 /nfs/dbraw/zinc/33/95/07/178339507.db2.gz HSZBMDYZDRHJPX-UHFFFAOYSA-N 1 2 292.295 1.256 20 5 CDBDLO CC1(C)COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000591144299 342618389 /nfs/dbraw/zinc/61/83/89/342618389.db2.gz LXHZFMNIGAHTHX-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO CC1(C)COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000591144299 342618390 /nfs/dbraw/zinc/61/83/90/342618390.db2.gz LXHZFMNIGAHTHX-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccno1)OCCO2 ZINC000592507464 342699681 /nfs/dbraw/zinc/69/96/81/342699681.db2.gz MUJSDRFWSDQECX-UHFFFAOYSA-N 1 2 291.263 1.644 20 5 CDBDLO Cc1ccnc(N(C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265254900 361931742 /nfs/dbraw/zinc/93/17/42/361931742.db2.gz RHNRNLZDGBNUNE-UHFFFAOYSA-N 1 2 280.328 1.067 20 5 CDBDLO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)C[C@@H](C)O1 ZINC000594895910 342970363 /nfs/dbraw/zinc/97/03/63/342970363.db2.gz OPAOSCUWXDZESW-GHMZBOCLSA-N 1 2 294.355 1.778 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCn4c[nH+]cc4C3)nc2c1 ZINC000595492090 343076530 /nfs/dbraw/zinc/07/65/30/343076530.db2.gz UMTDQLGAZOCSGB-UHFFFAOYSA-N 1 2 298.306 1.683 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000515201248 362094802 /nfs/dbraw/zinc/09/48/02/362094802.db2.gz UZNOHIAJTNZXEP-UHFFFAOYSA-N 1 2 282.281 1.427 20 5 CDBDLO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000595953284 343195193 /nfs/dbraw/zinc/19/51/93/343195193.db2.gz ZLUZAPFCNAIODO-LLVKDONJSA-N 1 2 279.296 1.627 20 5 CDBDLO CN(C)C(=O)OCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000158883903 342440196 /nfs/dbraw/zinc/44/01/96/342440196.db2.gz OUTCMRKVWRBPEJ-UHFFFAOYSA-N 1 2 293.323 1.651 20 5 CDBDLO CN(C)C(=O)OCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000158883903 342440197 /nfs/dbraw/zinc/44/01/97/342440197.db2.gz OUTCMRKVWRBPEJ-UHFFFAOYSA-N 1 2 293.323 1.651 20 5 CDBDLO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436977292 362244098 /nfs/dbraw/zinc/24/40/98/362244098.db2.gz FFWSVGPIDSZHIX-SNVBAGLBSA-N 1 2 295.339 1.761 20 5 CDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000437002568 362251651 /nfs/dbraw/zinc/25/16/51/362251651.db2.gz SXHWOLABEFQKEQ-UWVGGRQHSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000437002568 362251655 /nfs/dbraw/zinc/25/16/55/362251655.db2.gz SXHWOLABEFQKEQ-UWVGGRQHSA-N 1 2 293.323 1.513 20 5 CDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000599692413 344122484 /nfs/dbraw/zinc/12/24/84/344122484.db2.gz WHHJMDXKXTWPSW-LLVKDONJSA-N 1 2 296.327 1.382 20 5 CDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000599692413 344122486 /nfs/dbraw/zinc/12/24/86/344122486.db2.gz WHHJMDXKXTWPSW-LLVKDONJSA-N 1 2 296.327 1.382 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000602789730 344601058 /nfs/dbraw/zinc/60/10/58/344601058.db2.gz ZQVRUPMFQULIJY-SNVBAGLBSA-N 1 2 298.343 1.372 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000602789730 344601061 /nfs/dbraw/zinc/60/10/61/344601061.db2.gz ZQVRUPMFQULIJY-SNVBAGLBSA-N 1 2 298.343 1.372 20 5 CDBDLO C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026452177 344852452 /nfs/dbraw/zinc/85/24/52/344852452.db2.gz QPTVJDBRNBTHKG-WCQYABFASA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026452177 344852454 /nfs/dbraw/zinc/85/24/54/344852454.db2.gz QPTVJDBRNBTHKG-WCQYABFASA-N 1 2 296.323 1.055 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317445099 260228511 /nfs/dbraw/zinc/22/85/11/260228511.db2.gz MZFZDJWLWCORFV-BXKDBHETSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317445099 260228512 /nfs/dbraw/zinc/22/85/12/260228512.db2.gz MZFZDJWLWCORFV-BXKDBHETSA-N 1 2 286.715 1.033 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)Cn1cc[nH+]c1 ZINC000091556136 180190187 /nfs/dbraw/zinc/19/01/87/180190187.db2.gz HWMNKFAFPCVNSO-SECBINFHSA-N 1 2 278.316 1.817 20 5 CDBDLO Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nc1[N+](=O)[O-] ZINC000337940727 358504013 /nfs/dbraw/zinc/50/40/13/358504013.db2.gz HDKQERBOZVXGPK-UHFFFAOYSA-N 1 2 289.217 1.907 20 5 CDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C[NH3+])C1 ZINC000261890847 357338051 /nfs/dbraw/zinc/33/80/51/357338051.db2.gz VEIAGVUUCTXTBJ-MWLCHTKSSA-N 1 2 293.323 1.500 20 5 CDBDLO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262020603 357353979 /nfs/dbraw/zinc/35/39/79/357353979.db2.gz CXFNPHAAOSCTSK-MNOVXSKESA-N 1 2 293.323 1.548 20 5 CDBDLO Cc1cnc(CC[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000339134346 359296778 /nfs/dbraw/zinc/29/67/78/359296778.db2.gz QZBAMNNVWZEPQY-UHFFFAOYSA-N 1 2 295.368 1.768 20 5 CDBDLO Cc1cnc(CC[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000339134346 359296779 /nfs/dbraw/zinc/29/67/79/359296779.db2.gz QZBAMNNVWZEPQY-UHFFFAOYSA-N 1 2 295.368 1.768 20 5 CDBDLO CC[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC000339043745 359275443 /nfs/dbraw/zinc/27/54/43/359275443.db2.gz GZXGRDMPXMWEEC-LBPRGKRZSA-N 1 2 267.285 1.044 20 5 CDBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2C)cc1[N+](=O)[O-] ZINC000178154359 189093471 /nfs/dbraw/zinc/09/34/71/189093471.db2.gz YATBTGMDKPPESX-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO CCC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000131548117 361105090 /nfs/dbraw/zinc/10/50/90/361105090.db2.gz DRYFQDMTANIQMW-LBPRGKRZSA-N 1 2 268.317 1.292 20 5 CDBDLO CCC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000131548117 361105094 /nfs/dbraw/zinc/10/50/94/361105094.db2.gz DRYFQDMTANIQMW-LBPRGKRZSA-N 1 2 268.317 1.292 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000180489561 189258384 /nfs/dbraw/zinc/25/83/84/189258384.db2.gz JPNHJYHAGXWSIK-ZDUSSCGKSA-N 1 2 293.367 1.747 20 5 CDBDLO O=[N+]([O-])c1cnc(NCc2cn3ccccc3[nH+]2)nc1 ZINC000302140163 201362014 /nfs/dbraw/zinc/36/20/14/201362014.db2.gz DHTGWMJAUNFQKR-UHFFFAOYSA-N 1 2 270.252 1.645 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000272764526 368086128 /nfs/dbraw/zinc/08/61/28/368086128.db2.gz DBURPMMTSMSJFM-LBPRGKRZSA-N 1 2 297.742 1.911 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000272764526 368086135 /nfs/dbraw/zinc/08/61/35/368086135.db2.gz DBURPMMTSMSJFM-LBPRGKRZSA-N 1 2 297.742 1.911 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCn1cc[nH+]c1 ZINC000130997320 374375673 /nfs/dbraw/zinc/37/56/73/374375673.db2.gz NRVPMPAGQJIOCZ-UHFFFAOYSA-N 1 2 292.270 1.289 20 5 CDBDLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000299240158 374581469 /nfs/dbraw/zinc/58/14/69/374581469.db2.gz RJYKFEGSRSBJAD-LLVKDONJSA-N 1 2 288.307 1.918 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351950453 374698299 /nfs/dbraw/zinc/69/82/99/374698299.db2.gz FSCXIHHYSFFBCA-JQWIXIFHSA-N 1 2 293.323 1.154 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351950453 374698304 /nfs/dbraw/zinc/69/83/04/374698304.db2.gz FSCXIHHYSFFBCA-JQWIXIFHSA-N 1 2 293.323 1.154 20 5 CDBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000277338307 374782307 /nfs/dbraw/zinc/78/23/07/374782307.db2.gz FGHJEUUOOLGZRT-UHFFFAOYSA-N 1 2 278.312 1.267 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000331392144 374946646 /nfs/dbraw/zinc/94/66/46/374946646.db2.gz KFEOQMVUCOSHMI-QMMMGPOBSA-N 1 2 290.283 1.029 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000280766158 375020357 /nfs/dbraw/zinc/02/03/57/375020357.db2.gz OQORRJWIRQUOTC-JTQLQIEISA-N 1 2 282.296 1.467 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000280766158 375020362 /nfs/dbraw/zinc/02/03/62/375020362.db2.gz OQORRJWIRQUOTC-JTQLQIEISA-N 1 2 282.296 1.467 20 5 CDBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000357981930 375943078 /nfs/dbraw/zinc/94/30/78/375943078.db2.gz BMACYFDIIDTQNF-UHFFFAOYSA-N 1 2 261.237 1.819 20 5 CDBDLO Nc1[nH+]cnc(NCCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000433752426 248051906 /nfs/dbraw/zinc/05/19/06/248051906.db2.gz YMQACARRGWNOOS-UHFFFAOYSA-N 1 2 293.714 1.697 20 5 CDBDLO Nc1nc[nH+]c(NCCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000433752426 248051909 /nfs/dbraw/zinc/05/19/09/248051909.db2.gz YMQACARRGWNOOS-UHFFFAOYSA-N 1 2 293.714 1.697 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000492859187 253310071 /nfs/dbraw/zinc/31/00/71/253310071.db2.gz GDPZIYCMGRBZPE-PLNGDYQASA-N 1 2 286.291 1.690 20 5 CDBDLO O=[N+]([O-])c1cccc2ncnc(N3CCn4c[nH+]cc4C3)c21 ZINC000357574777 285159365 /nfs/dbraw/zinc/15/93/65/285159365.db2.gz AGKKICCDUAOAHZ-UHFFFAOYSA-N 1 2 296.290 1.755 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187414395 390627947 /nfs/dbraw/zinc/62/79/47/390627947.db2.gz UCRLDTAWWTXKNY-MFKMUULPSA-N 1 2 277.324 1.681 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187414395 390627952 /nfs/dbraw/zinc/62/79/52/390627952.db2.gz UCRLDTAWWTXKNY-MFKMUULPSA-N 1 2 277.324 1.681 20 5 CDBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC000189855717 130030653 /nfs/dbraw/zinc/03/06/53/130030653.db2.gz VTRIDMHSGMVKKU-UWVGGRQHSA-N 1 2 290.327 1.839 20 5 CDBDLO CO[C@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000488014349 391997910 /nfs/dbraw/zinc/99/79/10/391997910.db2.gz YTDRJZJEFBLKTD-STQMWFEESA-N 1 2 284.287 1.580 20 5 CDBDLO Cc1n[nH]c(C(=O)NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000523353072 392887601 /nfs/dbraw/zinc/88/76/01/392887601.db2.gz PGFYPUPWTCKYNG-UHFFFAOYSA-N 1 2 292.299 1.033 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1(C[NH3+])CCC1 ZINC000449689141 393140043 /nfs/dbraw/zinc/14/00/43/393140043.db2.gz YGMSVDZVXXKYSP-UHFFFAOYSA-N 1 2 279.296 1.254 20 5 CDBDLO COc1cc(C(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000343295014 152107481 /nfs/dbraw/zinc/10/74/81/152107481.db2.gz BPRQBIBCNTWOLH-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000330685021 287040344 /nfs/dbraw/zinc/04/03/44/287040344.db2.gz KXVAKSOMPIUIGC-NOZJJQNGSA-N 1 2 266.297 1.958 20 5 CDBDLO CCOC(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000038600931 174149500 /nfs/dbraw/zinc/14/95/00/174149500.db2.gz GJTDVJYUEOCEJT-SNVBAGLBSA-N 1 2 266.297 1.679 20 5 CDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070991576 176020369 /nfs/dbraw/zinc/02/03/69/176020369.db2.gz WMWCSAQCIXBSCM-UHFFFAOYSA-N 1 2 292.320 1.970 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000519020403 265297923 /nfs/dbraw/zinc/29/79/23/265297923.db2.gz FSJFOUGNMURPSS-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000519020403 265297928 /nfs/dbraw/zinc/29/79/28/265297928.db2.gz FSJFOUGNMURPSS-VIFPVBQESA-N 1 2 295.343 1.047 20 5 CDBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000452332452 275000845 /nfs/dbraw/zinc/00/08/45/275000845.db2.gz MRFRLCFAYSJRCS-UHFFFAOYSA-N 1 2 276.256 1.103 20 5 CDBDLO CNc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000161495797 277301350 /nfs/dbraw/zinc/30/13/50/277301350.db2.gz CRSNRISEZMSNAN-UHFFFAOYSA-N 1 2 289.295 1.632 20 5 CDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c[nH+]c[nH]2)c1 ZINC000574448239 295000854 /nfs/dbraw/zinc/00/08/54/295000854.db2.gz ZKGQFKZVLCXIEM-UHFFFAOYSA-N 1 2 296.308 1.736 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2ccsc2C1 ZINC000331810570 303019816 /nfs/dbraw/zinc/01/98/16/303019816.db2.gz FCIJENIIPQUBIR-UHFFFAOYSA-N 1 2 278.337 1.948 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2ccsc2C1 ZINC000331810570 303019818 /nfs/dbraw/zinc/01/98/18/303019818.db2.gz FCIJENIIPQUBIR-UHFFFAOYSA-N 1 2 278.337 1.948 20 5 CDBDLO CCc1nc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cs1 ZINC000579785565 324277420 /nfs/dbraw/zinc/27/74/20/324277420.db2.gz BJFOWRYLLPISSY-UHFFFAOYSA-N 1 2 295.368 1.942 20 5 CDBDLO CCc1nc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cs1 ZINC000579785565 324277422 /nfs/dbraw/zinc/27/74/22/324277422.db2.gz BJFOWRYLLPISSY-UHFFFAOYSA-N 1 2 295.368 1.942 20 5 CDBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000840155405 1160270020 /nfs/dbraw/zinc/27/00/20/1160270020.db2.gz XELAQUMHAQWUOF-NEPJUHHUSA-N 1 2 294.355 1.722 20 5 CDBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000840155405 1160270026 /nfs/dbraw/zinc/27/00/26/1160270026.db2.gz XELAQUMHAQWUOF-NEPJUHHUSA-N 1 2 294.355 1.722 20 5 CDBDLO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000068411239 525132082 /nfs/dbraw/zinc/13/20/82/525132082.db2.gz QYTGUCUTULUYBB-UHFFFAOYSA-N 1 2 275.268 1.524 20 5 CDBDLO NC(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178645 526957209 /nfs/dbraw/zinc/95/72/09/526957209.db2.gz HIYIDOOLHVDBND-AWEZNQCLSA-N 1 2 285.303 1.911 20 5 CDBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000759437369 576389504 /nfs/dbraw/zinc/38/95/04/576389504.db2.gz NIEVHAJGHXRNGT-SNVBAGLBSA-N 1 2 283.715 1.569 20 5 CDBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000759437369 576389505 /nfs/dbraw/zinc/38/95/05/576389505.db2.gz NIEVHAJGHXRNGT-SNVBAGLBSA-N 1 2 283.715 1.569 20 5 CDBDLO O=[N+]([O-])c1ccccc1-c1nnc(Cn2cc[nH+]c2)o1 ZINC000753851156 576862819 /nfs/dbraw/zinc/86/28/19/576862819.db2.gz UCMJGLFHSNTSSK-UHFFFAOYSA-N 1 2 271.236 1.890 20 5 CDBDLO Cc1cc(F)cc(C(=O)NCc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000758499275 577111954 /nfs/dbraw/zinc/11/19/54/577111954.db2.gz PAMFREWTCBVLOT-UHFFFAOYSA-N 1 2 278.243 1.695 20 5 CDBDLO Cc1cc(F)cc(C(=O)NCc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000758499275 577111955 /nfs/dbraw/zinc/11/19/55/577111955.db2.gz PAMFREWTCBVLOT-UHFFFAOYSA-N 1 2 278.243 1.695 20 5 CDBDLO C[C@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246683 619492178 /nfs/dbraw/zinc/49/21/78/619492178.db2.gz PBKSSZDKBGQNOW-ONGXEEELSA-N 1 2 284.385 1.703 20 5 CDBDLO C[C@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246683 619492180 /nfs/dbraw/zinc/49/21/80/619492180.db2.gz PBKSSZDKBGQNOW-ONGXEEELSA-N 1 2 284.385 1.703 20 5 CDBDLO COc1ccc(C[NH2+][C@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000902776101 625360686 /nfs/dbraw/zinc/36/06/86/625360686.db2.gz GJMALGRRXJMMHD-SECBINFHSA-N 1 2 291.311 1.583 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000895800614 619850922 /nfs/dbraw/zinc/85/09/22/619850922.db2.gz DDVQSKYSWWFDKB-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO O=[N+]([O-])c1cnn(CN2CCC(n3cc[nH+]c3)CC2)c1 ZINC000152091145 620515125 /nfs/dbraw/zinc/51/51/25/620515125.db2.gz GHPFYYGBFPWDPG-UHFFFAOYSA-N 1 2 276.300 1.282 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(=O)n1CCCc1c[nH+]cn1C ZINC000902341032 624673066 /nfs/dbraw/zinc/67/30/66/624673066.db2.gz TUJYYXIRCOFANK-UHFFFAOYSA-N 1 2 276.296 1.431 20 5 CDBDLO COC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353152 1162340915 /nfs/dbraw/zinc/34/09/15/1162340915.db2.gz WUBAKDNTOUCJMZ-JTQLQIEISA-N 1 2 296.323 1.639 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353152 1162340918 /nfs/dbraw/zinc/34/09/18/1162340918.db2.gz WUBAKDNTOUCJMZ-JTQLQIEISA-N 1 2 296.323 1.639 20 5 CDBDLO CCOC1(C)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000793545554 1162428379 /nfs/dbraw/zinc/42/83/79/1162428379.db2.gz HQECGHXUJCSDHO-UHFFFAOYSA-N 1 2 268.317 1.640 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000877465573 697830699 /nfs/dbraw/zinc/83/06/99/697830699.db2.gz BJCHEONRGHZHBB-WCQYABFASA-N 1 2 294.351 1.793 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000877465573 697830702 /nfs/dbraw/zinc/83/07/02/697830702.db2.gz BJCHEONRGHZHBB-WCQYABFASA-N 1 2 294.351 1.793 20 5 CDBDLO O=[N+]([O-])CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000929845264 698188788 /nfs/dbraw/zinc/18/87/88/698188788.db2.gz UTWFKNMJPWMBAV-UHFFFAOYSA-N 1 2 283.759 1.734 20 5 CDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC000854417402 698319598 /nfs/dbraw/zinc/31/95/98/698319598.db2.gz YBARJXIZKOWCMA-UHFFFAOYSA-N 1 2 288.307 1.562 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)CN2CCn3c[nH+]cc3C2)c1 ZINC000852066930 849861104 /nfs/dbraw/zinc/86/11/04/849861104.db2.gz VVHVYFTWSKVLKO-AWEZNQCLSA-N 1 2 288.307 1.341 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000038103218 850163896 /nfs/dbraw/zinc/16/38/96/850163896.db2.gz VZKCCFBTKXVFBA-VIFPVBQESA-N 1 2 292.270 1.749 20 5 CDBDLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173232319 912325577 /nfs/dbraw/zinc/32/55/77/912325577.db2.gz ARDXZULAPKZDSO-NHYWBVRUSA-N 1 2 292.335 1.816 20 5 CDBDLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173232319 912325593 /nfs/dbraw/zinc/32/55/93/912325593.db2.gz ARDXZULAPKZDSO-NHYWBVRUSA-N 1 2 292.335 1.816 20 5 CDBDLO Cc1ccnc(NC2CN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC001161318906 938888378 /nfs/dbraw/zinc/88/83/78/938888378.db2.gz AIVWITMZVANTEM-UHFFFAOYSA-N 1 2 285.307 1.994 20 5 CDBDLO COc1ccc([N+](=O)[O-])nc1NCCCn1cc[nH+]c1 ZINC001161684505 938920279 /nfs/dbraw/zinc/92/02/79/938920279.db2.gz FPSOBUZUQDQIHS-UHFFFAOYSA-N 1 2 277.284 1.697 20 5 CDBDLO Cc1cc2[nH]c(O[C@@H]3C[NH2+]CC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218233924 941047199 /nfs/dbraw/zinc/04/71/99/941047199.db2.gz AZBWOUHXZCFFST-SNVBAGLBSA-N 1 2 298.249 1.765 20 5 CDBDLO Cc1ccc(O[C@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218241112 941048581 /nfs/dbraw/zinc/04/85/81/941048581.db2.gz WRFQWVMISFSMNQ-JTQLQIEISA-N 1 2 258.224 1.889 20 5 CDBDLO COc1cc(O[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001225435631 941858412 /nfs/dbraw/zinc/85/84/12/941858412.db2.gz KQEWJPQSJXWYNW-NSHDSACASA-N 1 2 296.323 1.703 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056593 942263596 /nfs/dbraw/zinc/26/35/96/942263596.db2.gz DDVYVTMMTJMYSF-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056593 942263600 /nfs/dbraw/zinc/26/36/00/942263600.db2.gz DDVYVTMMTJMYSF-MRVPVSSYSA-N 1 2 287.703 1.353 20 5 CDBDLO C[NH+]1CC(Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135510 942273721 /nfs/dbraw/zinc/27/37/21/942273721.db2.gz IKHDHDGIGIMEDI-UHFFFAOYSA-N 1 2 259.265 1.836 20 5 CDBDLO O=[N+]([O-])c1ccc(O)c(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001229395406 942463759 /nfs/dbraw/zinc/46/37/59/942463759.db2.gz ICOXOJATBGWJMG-SNVBAGLBSA-N 1 2 275.264 1.891 20 5 CDBDLO O=C1OCC[C@@H]1CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319030465 958341548 /nfs/dbraw/zinc/34/15/48/958341548.db2.gz UYRJQDSGDWBQFD-JTQLQIEISA-N 1 2 276.292 1.864 20 5 CDBDLO O=C1OCC[C@@H]1CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319030465 958341559 /nfs/dbraw/zinc/34/15/59/958341559.db2.gz UYRJQDSGDWBQFD-JTQLQIEISA-N 1 2 276.292 1.864 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])c(C)n1)C2 ZINC001333810607 958618441 /nfs/dbraw/zinc/61/84/41/958618441.db2.gz VGSXDODLNHYEJE-UHFFFAOYSA-N 1 2 288.311 1.472 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2cccnc2[N+](=O)[O-])CCO1 ZINC000608779156 342037506 /nfs/dbraw/zinc/03/75/06/342037506.db2.gz ALAVDQZFTHUFGR-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2cccnc2[N+](=O)[O-])CCO1 ZINC000608779156 342037507 /nfs/dbraw/zinc/03/75/07/342037507.db2.gz ALAVDQZFTHUFGR-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000595329912 343036715 /nfs/dbraw/zinc/03/67/15/343036715.db2.gz YMSAZRMVNLBVDG-NSHDSACASA-N 1 2 281.287 1.396 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000595329912 343036716 /nfs/dbraw/zinc/03/67/16/343036716.db2.gz YMSAZRMVNLBVDG-NSHDSACASA-N 1 2 281.287 1.396 20 5 CDBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1n[nH]c(=O)o1 ZINC000595545956 343083758 /nfs/dbraw/zinc/08/37/58/343083758.db2.gz BSCWSLYAYIATEY-UHFFFAOYSA-N 1 2 294.267 1.194 20 5 CDBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1n[nH]c(=O)o1 ZINC000595545956 343083759 /nfs/dbraw/zinc/08/37/59/343083759.db2.gz BSCWSLYAYIATEY-UHFFFAOYSA-N 1 2 294.267 1.194 20 5 CDBDLO Cc1noc(C[N@H+](CCOCCO)C2CCC2)c1[N+](=O)[O-] ZINC000595595760 343113657 /nfs/dbraw/zinc/11/36/57/343113657.db2.gz MELUXPTVZYKUJQ-UHFFFAOYSA-N 1 2 299.327 1.255 20 5 CDBDLO Cc1noc(C[N@@H+](CCOCCO)C2CCC2)c1[N+](=O)[O-] ZINC000595595760 343113660 /nfs/dbraw/zinc/11/36/60/343113660.db2.gz MELUXPTVZYKUJQ-UHFFFAOYSA-N 1 2 299.327 1.255 20 5 CDBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595860903 343173921 /nfs/dbraw/zinc/17/39/21/343173921.db2.gz MJTLIDNLRFHANA-HZMBPMFUSA-N 1 2 280.324 1.751 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595860903 343173922 /nfs/dbraw/zinc/17/39/22/343173922.db2.gz 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CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436977289 362243651 /nfs/dbraw/zinc/24/36/51/362243651.db2.gz FFWSVGPIDSZHIX-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000619578246 349810319 /nfs/dbraw/zinc/81/03/19/349810319.db2.gz IPUBKBJBQXUCOE-UHFFFAOYSA-N 1 2 271.236 1.823 20 5 CDBDLO O=C(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])NC1CC1 ZINC000599021266 343941151 /nfs/dbraw/zinc/94/11/51/343941151.db2.gz WUDMHQFNMSMCHW-UHFFFAOYSA-N 1 2 286.291 1.834 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783509 344597556 /nfs/dbraw/zinc/59/75/56/344597556.db2.gz QFZBKANQIBQQCQ-NSHDSACASA-N 1 2 268.317 1.211 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783509 344597557 /nfs/dbraw/zinc/59/75/57/344597557.db2.gz QFZBKANQIBQQCQ-NSHDSACASA-N 1 2 268.317 1.211 20 5 CDBDLO CCC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602795376 344586674 /nfs/dbraw/zinc/58/66/74/344586674.db2.gz MPCDEJPBAPZPMT-GFCCVEGCSA-N 1 2 282.344 1.601 20 5 CDBDLO CCC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602795376 344586676 /nfs/dbraw/zinc/58/66/76/344586676.db2.gz MPCDEJPBAPZPMT-GFCCVEGCSA-N 1 2 282.344 1.601 20 5 CDBDLO Cc1cnc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909411 346486329 /nfs/dbraw/zinc/48/63/29/346486329.db2.gz IBQISLLBCABKRL-ZYHUDNBSSA-N 1 2 280.328 1.429 20 5 CDBDLO Cc1cnc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909411 346486332 /nfs/dbraw/zinc/48/63/32/346486332.db2.gz IBQISLLBCABKRL-ZYHUDNBSSA-N 1 2 280.328 1.429 20 5 CDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000611030540 346585372 /nfs/dbraw/zinc/58/53/72/346585372.db2.gz IKQMMBTWLGRLHL-SNVBAGLBSA-N 1 2 290.327 1.823 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614420517 348106773 /nfs/dbraw/zinc/10/67/73/348106773.db2.gz XXNVDNREJFAIHS-SNVBAGLBSA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000614420517 348106774 /nfs/dbraw/zinc/10/67/74/348106774.db2.gz XXNVDNREJFAIHS-SNVBAGLBSA-N 1 2 291.286 1.772 20 5 CDBDLO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000615917677 348996008 /nfs/dbraw/zinc/99/60/08/348996008.db2.gz NMLSUXYXWKUADW-GHMZBOCLSA-N 1 2 293.323 1.513 20 5 CDBDLO O=C(Nc1cc[nH+]cc1O)c1cccc([N+](=O)[O-])c1 ZINC000109890709 358476046 /nfs/dbraw/zinc/47/60/46/358476046.db2.gz BJFVAFLMKXKLJN-UHFFFAOYSA-N 1 2 259.221 1.948 20 5 CDBDLO C[NH+](C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000457312012 366125987 /nfs/dbraw/zinc/12/59/87/366125987.db2.gz LATIBFSDFNYPBB-UHFFFAOYSA-N 1 2 296.312 1.088 20 5 CDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1[nH]cc[nH+]1 ZINC000135073009 357416366 /nfs/dbraw/zinc/41/63/66/357416366.db2.gz HEZMEQGUILMKHR-SNAWJCMRSA-N 1 2 286.291 1.690 20 5 CDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000185114521 357510468 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O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000339084912 359285864 /nfs/dbraw/zinc/28/58/64/359285864.db2.gz RXLXWTBYDKBION-MRCXROJRSA-N 1 2 278.308 1.503 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000339088793 359292292 /nfs/dbraw/zinc/29/22/92/359292292.db2.gz SEETZPATQXDOLE-UHFFFAOYSA-N 1 2 266.297 1.647 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000339088793 359292294 /nfs/dbraw/zinc/29/22/94/359292294.db2.gz SEETZPATQXDOLE-UHFFFAOYSA-N 1 2 266.297 1.647 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000339129788 359296754 /nfs/dbraw/zinc/29/67/54/359296754.db2.gz VRNGETHYPNEXLX-MWLCHTKSSA-N 1 2 266.297 1.361 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000339129788 359296755 /nfs/dbraw/zinc/29/67/55/359296755.db2.gz VRNGETHYPNEXLX-MWLCHTKSSA-N 1 2 266.297 1.361 20 5 CDBDLO COCCCOCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339063207 359282638 /nfs/dbraw/zinc/28/26/38/359282638.db2.gz 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CDBDLO Cc1cc(CNc2c([N+](=O)[O-])ncn2C)cc(C)[nH+]1 ZINC000420650755 244312475 /nfs/dbraw/zinc/31/24/75/244312475.db2.gz ISNVETFUMXOZQR-UHFFFAOYSA-N 1 2 261.285 1.952 20 5 CDBDLO COc1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000330850070 203311855 /nfs/dbraw/zinc/31/18/55/203311855.db2.gz PKLNFCNUXVAVLB-LLVKDONJSA-N 1 2 298.364 1.513 20 5 CDBDLO COc1ccc(C[N@H+]2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000330850070 203311858 /nfs/dbraw/zinc/31/18/58/203311858.db2.gz PKLNFCNUXVAVLB-LLVKDONJSA-N 1 2 298.364 1.513 20 5 CDBDLO Cn1ccnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332006677 204381645 /nfs/dbraw/zinc/38/16/45/204381645.db2.gz PZRDSBUFVDNCOF-UHFFFAOYSA-N 1 2 273.296 1.282 20 5 CDBDLO Cn1ccnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332006677 204381649 /nfs/dbraw/zinc/38/16/49/204381649.db2.gz PZRDSBUFVDNCOF-UHFFFAOYSA-N 1 2 273.296 1.282 20 5 CDBDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000121823036 373484589 /nfs/dbraw/zinc/48/45/89/373484589.db2.gz UICUWXZJZBRCKG-UHFFFAOYSA-N 1 2 288.307 1.920 20 5 CDBDLO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066127116 374303924 /nfs/dbraw/zinc/30/39/24/374303924.db2.gz JVNKEVAJUHMMTG-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066127116 374303930 /nfs/dbraw/zinc/30/39/30/374303930.db2.gz JVNKEVAJUHMMTG-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO Cc1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000080624241 374473507 /nfs/dbraw/zinc/47/35/07/374473507.db2.gz YFQJKMIPVJATKC-UHFFFAOYSA-N 1 2 296.308 1.105 20 5 CDBDLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000081275245 374497697 /nfs/dbraw/zinc/49/76/97/374497697.db2.gz UWIAJTNDPHLTNW-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000275276361 374694013 /nfs/dbraw/zinc/69/40/13/374694013.db2.gz UQYGXTPCFMRRBQ-UHFFFAOYSA-N 1 2 253.258 1.010 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000449525358 374819079 /nfs/dbraw/zinc/81/90/79/374819079.db2.gz RIWUZJPAGQMTOM-IGEMTJHASA-N 1 2 289.335 1.818 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000449525358 374819086 /nfs/dbraw/zinc/81/90/86/374819086.db2.gz RIWUZJPAGQMTOM-IGEMTJHASA-N 1 2 289.335 1.818 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)Nc1ccncc1[N+](=O)[O-] ZINC000124662392 374834379 /nfs/dbraw/zinc/83/43/79/374834379.db2.gz FIRSJCWJASNRAZ-UHFFFAOYSA-N 1 2 276.256 1.008 20 5 CDBDLO C[C@@H]1C[N@H+](CCSc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000331352418 374938093 /nfs/dbraw/zinc/93/80/93/374938093.db2.gz OQGZDJVCZCNDNQ-SNVBAGLBSA-N 1 2 283.353 1.803 20 5 CDBDLO C[C@@H]1C[N@@H+](CCSc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000331352418 374938102 /nfs/dbraw/zinc/93/81/02/374938102.db2.gz OQGZDJVCZCNDNQ-SNVBAGLBSA-N 1 2 283.353 1.803 20 5 CDBDLO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000280325083 374991903 /nfs/dbraw/zinc/99/19/03/374991903.db2.gz UWHBBMVZFWIRGO-UHFFFAOYSA-N 1 2 291.307 1.292 20 5 CDBDLO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000280325083 374991909 /nfs/dbraw/zinc/99/19/09/374991909.db2.gz UWHBBMVZFWIRGO-UHFFFAOYSA-N 1 2 291.307 1.292 20 5 CDBDLO Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000269987015 377820455 /nfs/dbraw/zinc/82/04/55/377820455.db2.gz SOQXBPQEHAZVJS-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000269987015 377820463 /nfs/dbraw/zinc/82/04/63/377820463.db2.gz SOQXBPQEHAZVJS-UHFFFAOYSA-N 1 2 292.339 1.137 20 5 CDBDLO Cc1cccc(NC[C@@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000218853345 377846602 /nfs/dbraw/zinc/84/66/02/377846602.db2.gz MJLIVNUCEGYLGZ-GFCCVEGCSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1cccc(NC[C@@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC000218853345 377846605 /nfs/dbraw/zinc/84/66/05/377846605.db2.gz MJLIVNUCEGYLGZ-GFCCVEGCSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1nc(N(C)Cc2ccc(N)[nH+]c2)ncc1[N+](=O)[O-] ZINC000450446196 251287230 /nfs/dbraw/zinc/28/72/30/251287230.db2.gz MIRXDODDURASJF-UHFFFAOYSA-N 1 2 274.284 1.137 20 5 CDBDLO O=C1NCCCC[C@@H]1[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000119423050 296366017 /nfs/dbraw/zinc/36/60/17/296366017.db2.gz XSIRTMODRKIKCP-AWEZNQCLSA-N 1 2 289.335 1.622 20 5 CDBDLO O=C1NCCCC[C@@H]1[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000119423050 296366020 /nfs/dbraw/zinc/36/60/20/296366020.db2.gz XSIRTMODRKIKCP-AWEZNQCLSA-N 1 2 289.335 1.622 20 5 CDBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000408416007 391337922 /nfs/dbraw/zinc/33/79/22/391337922.db2.gz QLUCSVAUZYZPCV-SECBINFHSA-N 1 2 279.296 1.077 20 5 CDBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000408416007 391337927 /nfs/dbraw/zinc/33/79/27/391337927.db2.gz QLUCSVAUZYZPCV-SECBINFHSA-N 1 2 279.296 1.077 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269334775 132156783 /nfs/dbraw/zinc/15/67/83/132156783.db2.gz NLVOJPCYAZWXQK-UHFFFAOYSA-N 1 2 295.343 1.219 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269334775 132156785 /nfs/dbraw/zinc/15/67/85/132156785.db2.gz NLVOJPCYAZWXQK-UHFFFAOYSA-N 1 2 295.343 1.219 20 5 CDBDLO Cc1cc(NC[C@H]2CN3CC[NH+]2CC3)ccc1[N+](=O)[O-] ZINC000269461747 132174133 /nfs/dbraw/zinc/17/41/33/132174133.db2.gz HDFINVIWGBJKDZ-ZDUSSCGKSA-N 1 2 276.340 1.315 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000252018430 140317511 /nfs/dbraw/zinc/31/75/11/140317511.db2.gz YKVOXFXMIRPIAT-AAEUAGOBSA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000252018430 140317512 /nfs/dbraw/zinc/31/75/12/140317512.db2.gz YKVOXFXMIRPIAT-AAEUAGOBSA-N 1 2 280.324 1.831 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCO)c1ccco1 ZINC000346154037 153074058 /nfs/dbraw/zinc/07/40/58/153074058.db2.gz GCNQFWVDXCPLGX-SECBINFHSA-N 1 2 280.284 1.135 20 5 CDBDLO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285722279 196378685 /nfs/dbraw/zinc/37/86/85/196378685.db2.gz NJJVNQAQRFCKAP-SECBINFHSA-N 1 2 267.285 1.014 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076570993 177040699 /nfs/dbraw/zinc/04/06/99/177040699.db2.gz BNUQAOFDCGSBGL-GFCCVEGCSA-N 1 2 293.323 1.313 20 5 CDBDLO NC(=O)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076570993 177040700 /nfs/dbraw/zinc/04/07/00/177040700.db2.gz BNUQAOFDCGSBGL-GFCCVEGCSA-N 1 2 293.323 1.313 20 5 CDBDLO Cc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000078835303 177396060 /nfs/dbraw/zinc/39/60/60/177396060.db2.gz RJABDCFUUIYYGJ-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000078835303 177396061 /nfs/dbraw/zinc/39/60/61/177396061.db2.gz RJABDCFUUIYYGJ-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2[nH+]ccn21 ZINC000450835182 278499162 /nfs/dbraw/zinc/49/91/62/278499162.db2.gz WMVDXBAJFIFKIT-BQBZGAKWSA-N 1 2 275.272 1.112 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+]1CCCC1 ZINC000063733126 279197056 /nfs/dbraw/zinc/19/70/56/279197056.db2.gz MGVIRBYISVIHFZ-JTQLQIEISA-N 1 2 293.323 1.515 20 5 CDBDLO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338630182 524038763 /nfs/dbraw/zinc/03/87/63/524038763.db2.gz GQPJVZKWTZYGGX-CYBMUJFWSA-N 1 2 284.287 1.510 20 5 CDBDLO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338630182 524038764 /nfs/dbraw/zinc/03/87/64/524038764.db2.gz GQPJVZKWTZYGGX-CYBMUJFWSA-N 1 2 284.287 1.510 20 5 CDBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C)[nH+]1 ZINC000358050059 525233830 /nfs/dbraw/zinc/23/38/30/525233830.db2.gz ZXUNINPEOLGSOH-UHFFFAOYSA-N 1 2 275.268 1.592 20 5 CDBDLO CCCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232984132 534901191 /nfs/dbraw/zinc/90/11/91/534901191.db2.gz FZYBMOXMJCZFEZ-SECBINFHSA-N 1 2 267.285 1.756 20 5 CDBDLO Nc1c(C(=O)OCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000772005080 575648536 /nfs/dbraw/zinc/64/85/36/575648536.db2.gz RYXSWXJWZIOOKI-UHFFFAOYSA-N 1 2 276.252 1.231 20 5 CDBDLO NC(=O)C1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000754248015 576887627 /nfs/dbraw/zinc/88/76/27/576887627.db2.gz KFMNBXTYWLEAPJ-UHFFFAOYSA-N 1 2 269.688 1.356 20 5 CDBDLO Cc1nn(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000793740460 706228302 /nfs/dbraw/zinc/22/83/02/706228302.db2.gz DCGJAVHAQKGFLT-ZDUSSCGKSA-N 1 2 294.355 1.806 20 5 CDBDLO Cc1nn(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000793740460 706228309 /nfs/dbraw/zinc/22/83/09/706228309.db2.gz DCGJAVHAQKGFLT-ZDUSSCGKSA-N 1 2 294.355 1.806 20 5 CDBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886171917 709824736 /nfs/dbraw/zinc/82/47/36/709824736.db2.gz RTXOTURGBFQCTR-LBPRGKRZSA-N 1 2 283.328 1.208 20 5 CDBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886171917 709824741 /nfs/dbraw/zinc/82/47/41/709824741.db2.gz RTXOTURGBFQCTR-LBPRGKRZSA-N 1 2 283.328 1.208 20 5 CDBDLO CC(C)[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000840097574 709894804 /nfs/dbraw/zinc/89/48/04/709894804.db2.gz WOOWFAPMZDQQDC-LLVKDONJSA-N 1 2 268.317 1.496 20 5 CDBDLO CC(C)[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000840097574 709894809 /nfs/dbraw/zinc/89/48/09/709894809.db2.gz WOOWFAPMZDQQDC-LLVKDONJSA-N 1 2 268.317 1.496 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000859640000 711578870 /nfs/dbraw/zinc/57/88/70/711578870.db2.gz FZVHCLVJLDHAMO-SOUVJXGZSA-N 1 2 292.335 1.882 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000859640000 711578875 /nfs/dbraw/zinc/57/88/75/711578875.db2.gz FZVHCLVJLDHAMO-SOUVJXGZSA-N 1 2 292.335 1.882 20 5 CDBDLO CC[N@H+](C)[C@H](C(=O)OCCC[N+](=O)[O-])c1ccccc1 ZINC000860917757 711835720 /nfs/dbraw/zinc/83/57/20/711835720.db2.gz TWPXXKIAVLOJGD-ZDUSSCGKSA-N 1 2 280.324 1.889 20 5 CDBDLO CC[N@@H+](C)[C@H](C(=O)OCCC[N+](=O)[O-])c1ccccc1 ZINC000860917757 711835721 /nfs/dbraw/zinc/83/57/21/711835721.db2.gz TWPXXKIAVLOJGD-ZDUSSCGKSA-N 1 2 280.324 1.889 20 5 CDBDLO C[C@H](C[N+](C)(C)C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620481 903382146 /nfs/dbraw/zinc/38/21/46/903382146.db2.gz RDKAMLHXLXSZGO-SECBINFHSA-O 1 2 255.294 1.774 20 5 CDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158707044 938653568 /nfs/dbraw/zinc/65/35/68/938653568.db2.gz HGBIPLNHKTULLV-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158707044 938653569 /nfs/dbraw/zinc/65/35/69/938653569.db2.gz HGBIPLNHKTULLV-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCn1cc[nH+]c1)C2 ZINC001222128776 941567639 /nfs/dbraw/zinc/56/76/39/941567639.db2.gz FVQAFQXUZCOOJI-AWEZNQCLSA-N 1 2 273.292 1.975 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181657 941963862 /nfs/dbraw/zinc/96/38/62/941963862.db2.gz SOSRAJWLKNDSKN-QMMMGPOBSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181657 941963864 /nfs/dbraw/zinc/96/38/64/941963864.db2.gz SOSRAJWLKNDSKN-QMMMGPOBSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226914976 942093035 /nfs/dbraw/zinc/09/30/35/942093035.db2.gz CMWFADRJJJAEJY-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226914976 942093039 /nfs/dbraw/zinc/09/30/39/942093039.db2.gz CMWFADRJJJAEJY-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC(F)F ZINC001262565678 946715558 /nfs/dbraw/zinc/71/55/58/946715558.db2.gz UDUICLVTRSUAMC-QMMMGPOBSA-N 1 2 276.239 1.189 20 5 CDBDLO Cc1noc(CSCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001329963091 956203429 /nfs/dbraw/zinc/20/34/29/956203429.db2.gz DESHMMUFHBJYJL-UHFFFAOYSA-N 1 2 287.341 1.457 20 5 CDBDLO CN(Cc1ccc(N)[nH+]c1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001307089349 956361134 /nfs/dbraw/zinc/36/11/34/956361134.db2.gz SBIBZIRFRDOJGD-UHFFFAOYSA-N 1 2 298.306 1.856 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001307225242 956380188 /nfs/dbraw/zinc/38/01/88/956380188.db2.gz WRTKVORQDBQXAJ-UWVGGRQHSA-N 1 2 283.278 1.966 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001307225242 956380199 /nfs/dbraw/zinc/38/01/99/956380199.db2.gz WRTKVORQDBQXAJ-UWVGGRQHSA-N 1 2 283.278 1.966 20 5 CDBDLO COCc1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001308854773 956589105 /nfs/dbraw/zinc/58/91/05/956589105.db2.gz PSFIIKLDNYAWDC-UHFFFAOYSA-N 1 2 291.311 1.192 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001354266184 968584928 /nfs/dbraw/zinc/58/49/28/968584928.db2.gz HLVQCUJJZUXJOW-OCCSQVGLSA-N 1 2 292.383 1.949 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001354266184 968584934 /nfs/dbraw/zinc/58/49/34/968584934.db2.gz HLVQCUJJZUXJOW-OCCSQVGLSA-N 1 2 292.383 1.949 20 5 CDBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609333654 342102930 /nfs/dbraw/zinc/10/29/30/342102930.db2.gz DNMLUAUWNCHGPU-UHFFFAOYSA-N 1 2 260.253 1.311 20 5 CDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1[NH3+] ZINC000592331743 342685484 /nfs/dbraw/zinc/68/54/84/342685484.db2.gz PEIUIGNVFKULBM-GXSJLCMTSA-N 1 2 293.323 1.500 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000595450270 343065809 /nfs/dbraw/zinc/06/58/09/343065809.db2.gz UEDATGGSRMNRCX-NOZJJQNGSA-N 1 2 295.314 1.820 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000595450270 343065810 /nfs/dbraw/zinc/06/58/10/343065810.db2.gz UEDATGGSRMNRCX-NOZJJQNGSA-N 1 2 295.314 1.820 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595496376 343077437 /nfs/dbraw/zinc/07/74/37/343077437.db2.gz ASZPJQALDZIKKB-MRVPVSSYSA-N 1 2 291.254 1.341 20 5 CDBDLO Cc1noc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595496376 343077439 /nfs/dbraw/zinc/07/74/39/343077439.db2.gz ASZPJQALDZIKKB-MRVPVSSYSA-N 1 2 291.254 1.341 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000355247840 362091779 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CNC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597249789 343498874 /nfs/dbraw/zinc/49/88/74/343498874.db2.gz LQLRHWIRIKNPSY-ALCCZGGFSA-N 1 2 263.297 1.286 20 5 CDBDLO CNC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597249789 343498877 /nfs/dbraw/zinc/49/88/77/343498877.db2.gz LQLRHWIRIKNPSY-ALCCZGGFSA-N 1 2 263.297 1.286 20 5 CDBDLO Nc1ncc2c(n1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598945622 343925581 /nfs/dbraw/zinc/92/55/81/343925581.db2.gz ADPHANCSLIQSLO-UHFFFAOYSA-N 1 2 285.307 1.356 20 5 CDBDLO Nc1ncc2c(n1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598945622 343925582 /nfs/dbraw/zinc/92/55/82/343925582.db2.gz ADPHANCSLIQSLO-UHFFFAOYSA-N 1 2 285.307 1.356 20 5 CDBDLO CCOC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599620460 344096822 /nfs/dbraw/zinc/09/68/22/344096822.db2.gz TYCHBBDMYOAFOR-CYBMUJFWSA-N 1 2 280.324 1.832 20 5 CDBDLO CCOC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599620460 344096825 /nfs/dbraw/zinc/09/68/25/344096825.db2.gz 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C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336849402 356386048 /nfs/dbraw/zinc/38/60/48/356386048.db2.gz RKPIDTDNDJWXJR-VIFPVBQESA-N 1 2 292.270 1.749 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000433748986 535318798 /nfs/dbraw/zinc/31/87/98/535318798.db2.gz CMMYYKBBSVKBCJ-UHFFFAOYSA-N 1 2 292.299 1.437 20 5 CDBDLO CC(C)c1[nH]nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000433748986 535318802 /nfs/dbraw/zinc/31/88/02/535318802.db2.gz CMMYYKBBSVKBCJ-UHFFFAOYSA-N 1 2 292.299 1.437 20 5 CDBDLO COC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000189410397 358007953 /nfs/dbraw/zinc/00/79/53/358007953.db2.gz YKVOXFXMIRPIAT-WCQYABFASA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000189410397 358007956 /nfs/dbraw/zinc/00/79/56/358007956.db2.gz YKVOXFXMIRPIAT-WCQYABFASA-N 1 2 280.324 1.831 20 5 CDBDLO C[C@@H](c1nncn1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000286965125 358046985 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C[N@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037268439 173080435 /nfs/dbraw/zinc/08/04/35/173080435.db2.gz LIKQSRHBVNJAMD-UHFFFAOYSA-N 1 2 257.677 1.165 20 5 CDBDLO C[N@@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037268439 173080438 /nfs/dbraw/zinc/08/04/38/173080438.db2.gz LIKQSRHBVNJAMD-UHFFFAOYSA-N 1 2 257.677 1.165 20 5 CDBDLO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000163813469 520484351 /nfs/dbraw/zinc/48/43/51/520484351.db2.gz MJELPDZHFTVMPV-CYBMUJFWSA-N 1 2 280.324 1.567 20 5 CDBDLO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000163813469 520484356 /nfs/dbraw/zinc/48/43/56/520484356.db2.gz MJELPDZHFTVMPV-CYBMUJFWSA-N 1 2 280.324 1.567 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCOCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761290792 576565948 /nfs/dbraw/zinc/56/59/48/576565948.db2.gz RXCZRVRKAZCXTA-UHFFFAOYSA-N 1 2 290.323 1.933 20 5 CDBDLO Cc1nn(C[N@H+]2CCCOCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761290792 576565949 /nfs/dbraw/zinc/56/59/49/576565949.db2.gz 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CC[NH+]1CC(OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925002 941642022 /nfs/dbraw/zinc/64/20/22/941642022.db2.gz DXLVBINSJROIOU-UHFFFAOYSA-N 1 2 277.280 1.957 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225614238 941888683 /nfs/dbraw/zinc/88/86/83/941888683.db2.gz BPBLXBHPYLCYLM-NSHDSACASA-N 1 2 282.296 1.313 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225614238 941888687 /nfs/dbraw/zinc/88/86/87/941888687.db2.gz BPBLXBHPYLCYLM-NSHDSACASA-N 1 2 282.296 1.313 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(OC2C[NH+](C(C)(C)C)C2)n1 ZINC001234880124 943965141 /nfs/dbraw/zinc/96/51/41/943965141.db2.gz XDQBXQDFCXXXDY-UHFFFAOYSA-N 1 2 281.312 1.860 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1c(C)cncc1[N+](=O)[O-] ZINC001262373477 946621496 /nfs/dbraw/zinc/62/14/96/946621496.db2.gz AQXQRWTWXWUGTC-GFCCVEGCSA-N 1 2 294.355 1.243 20 5 CDBDLO CC(=O)N1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254552388 947520752 /nfs/dbraw/zinc/52/07/52/947520752.db2.gz LDFFGXOADSOTLU-LBPRGKRZSA-N 1 2 291.351 1.690 20 5 CDBDLO O=C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601092 947549317 /nfs/dbraw/zinc/54/93/17/947549317.db2.gz ZCXBYAATCABENX-ZDUSSCGKSA-N 1 2 260.293 1.727 20 5 CDBDLO CC(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055563 342127747 /nfs/dbraw/zinc/12/77/47/342127747.db2.gz KZNBSUZKHJYWPU-UHFFFAOYSA-N 1 2 293.323 1.138 20 5 CDBDLO COCCO[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595391720 343046521 /nfs/dbraw/zinc/04/65/21/343046521.db2.gz OMYJSDUVJPVELI-LLVKDONJSA-N 1 2 299.327 1.519 20 5 CDBDLO COCCO[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595391720 343046523 /nfs/dbraw/zinc/04/65/23/343046523.db2.gz OMYJSDUVJPVELI-LLVKDONJSA-N 1 2 299.327 1.519 20 5 CDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000595397978 343048100 /nfs/dbraw/zinc/04/81/00/343048100.db2.gz YRWPEJISSGPHLN-SNVBAGLBSA-N 1 2 267.260 1.054 20 5 CDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000595397978 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280293714 /nfs/dbraw/zinc/29/37/14/280293714.db2.gz AZDGCPYFJDOTLD-TVQRCGJNSA-N 1 2 293.298 1.444 20 5 CDBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000570715605 294295417 /nfs/dbraw/zinc/29/54/17/294295417.db2.gz ZHJHPUNWKPOOBN-VIFPVBQESA-N 1 2 283.353 1.823 20 5 CDBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000570715605 294295422 /nfs/dbraw/zinc/29/54/22/294295422.db2.gz ZHJHPUNWKPOOBN-VIFPVBQESA-N 1 2 283.353 1.823 20 5 CDBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353155462 522797648 /nfs/dbraw/zinc/79/76/48/522797648.db2.gz OQEVMEABLZLYCE-UHFFFAOYSA-N 1 2 296.323 1.987 20 5 CDBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353155462 522797653 /nfs/dbraw/zinc/79/76/53/522797653.db2.gz OQEVMEABLZLYCE-UHFFFAOYSA-N 1 2 296.323 1.987 20 5 CDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000337209470 527075400 /nfs/dbraw/zinc/07/54/00/527075400.db2.gz AZDGCPYFJDOTLD-NOZJJQNGSA-N 1 2 293.298 1.444 20 5 CDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000337209470 527075405 /nfs/dbraw/zinc/07/54/05/527075405.db2.gz AZDGCPYFJDOTLD-NOZJJQNGSA-N 1 2 293.298 1.444 20 5 CDBDLO CC1(C)C[N@H+](Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000735297186 575448813 /nfs/dbraw/zinc/44/88/13/575448813.db2.gz DZBCZKMMIDUHBT-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO CC1(C)C[N@@H+](Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000735297186 575448814 /nfs/dbraw/zinc/44/88/14/575448814.db2.gz DZBCZKMMIDUHBT-UHFFFAOYSA-N 1 2 254.290 1.250 20 5 CDBDLO O=C(OCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000747699420 576881068 /nfs/dbraw/zinc/88/10/68/576881068.db2.gz OJNWQQBXBXLHGJ-UHFFFAOYSA-N 1 2 298.270 1.223 20 5 CDBDLO C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000892911750 617890042 /nfs/dbraw/zinc/89/00/42/617890042.db2.gz NOROKEQAKGLPHU-CMPLNLGQSA-N 1 2 290.327 1.612 20 5 CDBDLO O=[N+]([O-])c1sccc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895252512 619496647 /nfs/dbraw/zinc/49/66/47/619496647.db2.gz MZHRMMHNEHUUBK-UHFFFAOYSA-N 1 2 299.352 1.517 20 5 CDBDLO O=[N+]([O-])c1sccc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895252512 619496650 /nfs/dbraw/zinc/49/66/50/619496650.db2.gz MZHRMMHNEHUUBK-UHFFFAOYSA-N 1 2 299.352 1.517 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@@H]2CO)c2ccc([N+](=O)[O-])cc12 ZINC000902632517 625065069 /nfs/dbraw/zinc/06/50/69/625065069.db2.gz NYDGWXNUSLVHRF-LLVKDONJSA-N 1 2 276.296 1.277 20 5 CDBDLO Cc1nn(C[N@H+]2CC[C@@H]2CO)c2ccc([N+](=O)[O-])cc12 ZINC000902632517 625065073 /nfs/dbraw/zinc/06/50/73/625065073.db2.gz NYDGWXNUSLVHRF-LLVKDONJSA-N 1 2 276.296 1.277 20 5 CDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(F)cc([N+](=O)[O-])c1C ZINC001170339638 1162346262 /nfs/dbraw/zinc/34/62/62/1162346262.db2.gz NSFVYBHGMDMKET-UHFFFAOYSA-N 1 2 294.286 1.743 20 5 CDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000872772443 1165477895 /nfs/dbraw/zinc/47/78/95/1165477895.db2.gz VFYGUPUSIHPQLG-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@@H]1COCC[N@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000872772443 1165477900 /nfs/dbraw/zinc/47/79/00/1165477900.db2.gz VFYGUPUSIHPQLG-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CCOC(=O)c1ccc(OC2C[NH+](CC)C2)cc1[N+](=O)[O-] ZINC001230912995 925577264 /nfs/dbraw/zinc/57/72/64/925577264.db2.gz OLTKOPNNRIXZSI-UHFFFAOYSA-N 1 2 294.307 1.854 20 5 CDBDLO Cc1nn(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000842609136 937064602 /nfs/dbraw/zinc/06/46/02/937064602.db2.gz CBXAMLXQDRPEBQ-LLVKDONJSA-N 1 2 268.317 1.557 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000842609136 937064604 /nfs/dbraw/zinc/06/46/04/937064604.db2.gz CBXAMLXQDRPEBQ-LLVKDONJSA-N 1 2 268.317 1.557 20 5 CDBDLO Cc1noc(COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853914322 928123348 /nfs/dbraw/zinc/12/33/48/928123348.db2.gz NEAJSUVMZWJXJH-IUCAKERBSA-N 1 2 297.311 1.807 20 5 CDBDLO CC(=O)N1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885928768 930774763 /nfs/dbraw/zinc/77/47/63/930774763.db2.gz GIBDHNXCZNYLAA-UHFFFAOYSA-N 1 2 278.312 1.044 20 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/nfs/dbraw/zinc/28/39/41/942283941.db2.gz WDPAENCGCDKJHT-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc(C)c(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001228238508 942283943 /nfs/dbraw/zinc/28/39/43/942283943.db2.gz WDPAENCGCDKJHT-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO CC[NH+]1CC(Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233983762 943706880 /nfs/dbraw/zinc/70/68/80/943706880.db2.gz ZMKKSHCFXARKFV-UHFFFAOYSA-N 1 2 280.324 1.597 20 5 CDBDLO Cn1cc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]cn3C)n1 ZINC001306985301 956355715 /nfs/dbraw/zinc/35/57/15/956355715.db2.gz QWOBLPWHHYTSQN-UHFFFAOYSA-N 1 2 272.268 1.959 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001347104975 965372922 /nfs/dbraw/zinc/37/29/22/965372922.db2.gz RQXOKMRXTZBFNQ-GFCCVEGCSA-N 1 2 269.301 1.486 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001347104975 965372932 /nfs/dbraw/zinc/37/29/32/965372932.db2.gz RQXOKMRXTZBFNQ-GFCCVEGCSA-N 1 2 269.301 1.486 20 5 CDBDLO CCCCc1cc(NCCn2cc([N+](=O)[O-])cn2)nc[nH+]1 ZINC000601131783 342474758 /nfs/dbraw/zinc/47/47/58/342474758.db2.gz QQBDCAXWSBZJQH-UHFFFAOYSA-N 1 2 290.327 1.458 20 5 CDBDLO CNc1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])c[nH+]1 ZINC000589113684 342497632 /nfs/dbraw/zinc/49/76/32/342497632.db2.gz YKISPDPWURLOGW-UHFFFAOYSA-N 1 2 279.687 1.667 20 5 CDBDLO C[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000592780568 342727560 /nfs/dbraw/zinc/72/75/60/342727560.db2.gz NDXMTMFEVSYLGH-PSASIEDQSA-N 1 2 279.296 1.579 20 5 CDBDLO C[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000592780568 342727561 /nfs/dbraw/zinc/72/75/61/342727561.db2.gz NDXMTMFEVSYLGH-PSASIEDQSA-N 1 2 279.296 1.579 20 5 CDBDLO Cc1noc(C[N@H+](C)CCc2ccccn2)c1[N+](=O)[O-] ZINC000595397821 343048224 /nfs/dbraw/zinc/04/82/24/343048224.db2.gz XYQJHSKWURHHTJ-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCc2ccccn2)c1[N+](=O)[O-] ZINC000595397821 343048226 /nfs/dbraw/zinc/04/82/26/343048226.db2.gz XYQJHSKWURHHTJ-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076824314 342323613 /nfs/dbraw/zinc/32/36/13/342323613.db2.gz UWXZKZWLCQLEHE-FKANQGBASA-N 1 2 296.392 1.979 20 5 CDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076824314 342323614 /nfs/dbraw/zinc/32/36/14/342323614.db2.gz UWXZKZWLCQLEHE-FKANQGBASA-N 1 2 296.392 1.979 20 5 CDBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595488852 343075263 /nfs/dbraw/zinc/07/52/63/343075263.db2.gz DSDMSSNLQLVEEO-LLVKDONJSA-N 1 2 291.311 1.843 20 5 CDBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595488852 343075265 /nfs/dbraw/zinc/07/52/65/343075265.db2.gz DSDMSSNLQLVEEO-LLVKDONJSA-N 1 2 291.311 1.843 20 5 CDBDLO O=[N+]([O-])c1ccsc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596247360 343286593 /nfs/dbraw/zinc/28/65/93/343286593.db2.gz NQRANIROBXQXOV-NSHDSACASA-N 1 2 297.380 1.957 20 5 CDBDLO Cc1ccnc(SCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000090069537 342393579 /nfs/dbraw/zinc/39/35/79/342393579.db2.gz SREGVOQSAXFNKG-UHFFFAOYSA-N 1 2 283.353 1.723 20 5 CDBDLO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000597996648 343684531 /nfs/dbraw/zinc/68/45/31/343684531.db2.gz KQQNYDCZSQNFGZ-VIFPVBQESA-N 1 2 281.312 1.370 20 5 CDBDLO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000598669383 343872464 /nfs/dbraw/zinc/87/24/64/343872464.db2.gz IWMWDYOSAAKQGV-QMTHXVAHSA-N 1 2 291.307 1.254 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000602781530 344597022 /nfs/dbraw/zinc/59/70/22/344597022.db2.gz AMMPLUUZGJUHPV-VHSXEESVSA-N 1 2 268.317 1.209 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000602781530 344597026 /nfs/dbraw/zinc/59/70/26/344597026.db2.gz AMMPLUUZGJUHPV-VHSXEESVSA-N 1 2 268.317 1.209 20 5 CDBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000293517765 362572636 /nfs/dbraw/zinc/57/26/36/362572636.db2.gz ASGQWUFYFSGMPD-ZDUSSCGKSA-N 1 2 296.298 1.928 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCOCC1)OCCO2 ZINC000611261409 346724527 /nfs/dbraw/zinc/72/45/27/346724527.db2.gz NBTSLROXTZIXOB-UHFFFAOYSA-N 1 2 294.307 1.588 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCOCC1)OCCO2 ZINC000611261409 346724529 /nfs/dbraw/zinc/72/45/29/346724529.db2.gz NBTSLROXTZIXOB-UHFFFAOYSA-N 1 2 294.307 1.588 20 5 CDBDLO CC[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000271209465 191000838 /nfs/dbraw/zinc/00/08/38/191000838.db2.gz UADJCIZIIVEXKB-AWEZNQCLSA-N 1 2 296.323 1.905 20 5 CDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000092550033 351285810 /nfs/dbraw/zinc/28/58/10/351285810.db2.gz NRROYOPCYJGNMA-ZETCQYMHSA-N 1 2 253.258 1.189 20 5 CDBDLO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000292040794 198142574 /nfs/dbraw/zinc/14/25/74/198142574.db2.gz IBNJOGBKBOZCSQ-SECBINFHSA-N 1 2 281.312 1.548 20 5 CDBDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282349 188307824 /nfs/dbraw/zinc/30/78/24/188307824.db2.gz FIHNZNGXTTVEOU-DGCLKSJQSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282349 188307825 /nfs/dbraw/zinc/30/78/25/188307825.db2.gz FIHNZNGXTTVEOU-DGCLKSJQSA-N 1 2 280.324 1.567 20 5 CDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456094103 363242931 /nfs/dbraw/zinc/24/29/31/363242931.db2.gz FDUDWPINOXDELN-UHFFFAOYSA-N 1 2 263.257 1.069 20 5 CDBDLO Cc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000359872428 356429508 /nfs/dbraw/zinc/42/95/08/356429508.db2.gz ODUPTJRWWVNZPT-SECBINFHSA-N 1 2 285.250 1.839 20 5 CDBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000452761979 295962756 /nfs/dbraw/zinc/96/27/56/295962756.db2.gz XACUJXVYEITVEN-UHFFFAOYSA-N 1 2 275.268 1.708 20 5 CDBDLO CS(=O)(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000610763203 358148817 /nfs/dbraw/zinc/14/88/17/358148817.db2.gz 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COC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285438177 196284461 /nfs/dbraw/zinc/28/44/61/196284461.db2.gz XHNODEGOTURUQV-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285438177 196284462 /nfs/dbraw/zinc/28/44/62/196284462.db2.gz XHNODEGOTURUQV-SNVBAGLBSA-N 1 2 266.297 1.631 20 5 CDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1COC[C@H]1O ZINC000285467139 196293113 /nfs/dbraw/zinc/29/31/13/196293113.db2.gz HFKRTVXGWUIQHY-VXGBXAGGSA-N 1 2 286.715 1.440 20 5 CDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1COC[C@H]1O ZINC000285467139 196293114 /nfs/dbraw/zinc/29/31/14/196293114.db2.gz HFKRTVXGWUIQHY-VXGBXAGGSA-N 1 2 286.715 1.440 20 5 CDBDLO CC(C)[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC000459473031 277984747 /nfs/dbraw/zinc/98/47/47/277984747.db2.gz CSJOYXOEMYSGOQ-ZDUSSCGKSA-N 1 2 281.312 1.290 20 5 CDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1[nH]cc[nH+]1 ZINC000135483354 279818943 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CC[C@@H](C)[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339198984 522087650 /nfs/dbraw/zinc/08/76/50/522087650.db2.gz LZWRPOQZSDQBTQ-SNVBAGLBSA-N 1 2 268.313 1.893 20 5 CDBDLO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235487606 524852160 /nfs/dbraw/zinc/85/21/60/524852160.db2.gz UPAXNRLPAOHTOZ-BQBZGAKWSA-N 1 2 253.258 1.222 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000354560073 526630172 /nfs/dbraw/zinc/63/01/72/526630172.db2.gz LKISGVZAVDWHTE-MRVPVSSYSA-N 1 2 276.256 1.018 20 5 CDBDLO Cc1nc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)no1 ZINC000357927627 526664738 /nfs/dbraw/zinc/66/47/38/526664738.db2.gz LNXIJBOFLBVVPL-UHFFFAOYSA-N 1 2 280.288 1.008 20 5 CDBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000725779171 574435841 /nfs/dbraw/zinc/43/58/41/574435841.db2.gz MHYPICACJFYJSV-SECBINFHSA-N 1 2 289.291 1.490 20 5 CDBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000725779171 574435842 /nfs/dbraw/zinc/43/58/42/574435842.db2.gz MHYPICACJFYJSV-SECBINFHSA-N 1 2 289.291 1.490 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCOCC1 ZINC000747692524 576880682 /nfs/dbraw/zinc/88/06/82/576880682.db2.gz JZCXOUBQVYHERF-UHFFFAOYSA-N 1 2 294.307 1.392 20 5 CDBDLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000747974702 576890823 /nfs/dbraw/zinc/89/08/23/576890823.db2.gz NXKZMIJHGJSKSA-UHFFFAOYSA-N 1 2 275.268 1.139 20 5 CDBDLO Cc1cc(F)cc(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000758481960 577110759 /nfs/dbraw/zinc/11/07/59/577110759.db2.gz IGKSBWGUQUFRGQ-UHFFFAOYSA-N 1 2 292.270 1.738 20 5 CDBDLO Cc1noc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000914795369 631574178 /nfs/dbraw/zinc/57/41/78/631574178.db2.gz OJIYLZLXXXKZEY-QPUJVOFHSA-N 1 2 292.295 1.670 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000793248689 1162405669 /nfs/dbraw/zinc/40/56/69/1162405669.db2.gz AMSRWZKKNXSQLE-UHFFFAOYSA-N 1 2 275.264 1.728 20 5 CDBDLO CO[C@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794653760 1164531437 /nfs/dbraw/zinc/53/14/37/1164531437.db2.gz FLNAVPWCSIFGLI-LLVKDONJSA-N 1 2 254.290 1.250 20 5 CDBDLO CO[C@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794653760 1164531443 /nfs/dbraw/zinc/53/14/43/1164531443.db2.gz FLNAVPWCSIFGLI-LLVKDONJSA-N 1 2 254.290 1.250 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C)CC1 ZINC000876510734 1165860044 /nfs/dbraw/zinc/86/00/44/1165860044.db2.gz ZDGQEEZIOLPXEI-UHFFFAOYSA-N 1 2 263.341 1.959 20 5 CDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1-n1cc[nH+]c1 ZINC001593469502 1174078165 /nfs/dbraw/zinc/07/81/65/1174078165.db2.gz SXHPJQMFLFXVNC-UHFFFAOYSA-N 1 2 275.203 1.100 20 5 CDBDLO Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000133706732 1175807643 /nfs/dbraw/zinc/80/76/43/1175807643.db2.gz WRMZEZAKJSVKSL-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000133706732 1175807651 /nfs/dbraw/zinc/80/76/51/1175807651.db2.gz WRMZEZAKJSVKSL-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001226760522 905581032 /nfs/dbraw/zinc/58/10/32/905581032.db2.gz AZYPKQBHSYQEDJ-NSHDSACASA-N 1 2 281.312 1.398 20 5 CDBDLO Cc1c(NC[C@@H]2C[N@H+](C)CCO2)cc(F)cc1[N+](=O)[O-] ZINC001162683977 922885241 /nfs/dbraw/zinc/88/52/41/922885241.db2.gz PEPFNJYREUVDOL-LLVKDONJSA-N 1 2 283.303 1.785 20 5 CDBDLO Cc1c(NC[C@@H]2C[N@@H+](C)CCO2)cc(F)cc1[N+](=O)[O-] ZINC001162683977 922885251 /nfs/dbraw/zinc/88/52/51/922885251.db2.gz PEPFNJYREUVDOL-LLVKDONJSA-N 1 2 283.303 1.785 20 5 CDBDLO CC1(C)C[N@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000840154421 936941035 /nfs/dbraw/zinc/94/10/35/936941035.db2.gz PKHRZIXXQHGAEK-VHSXEESVSA-N 1 2 266.301 1.106 20 5 CDBDLO CC1(C)C[N@@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000840154421 936941036 /nfs/dbraw/zinc/94/10/36/936941036.db2.gz PKHRZIXXQHGAEK-VHSXEESVSA-N 1 2 266.301 1.106 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000091677522 940752033 /nfs/dbraw/zinc/75/20/33/940752033.db2.gz UJKCITZKHVHEKU-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000091677522 940752036 /nfs/dbraw/zinc/75/20/36/940752036.db2.gz UJKCITZKHVHEKU-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO Cc1ccc(O[C@@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218241113 941048855 /nfs/dbraw/zinc/04/88/55/941048855.db2.gz WRFQWVMISFSMNQ-SNVBAGLBSA-N 1 2 258.224 1.889 20 5 CDBDLO CCOC(=O)c1ccc(COC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001223965148 941710129 /nfs/dbraw/zinc/71/01/29/941710129.db2.gz YJJBERNRADFBLG-UHFFFAOYSA-N 1 2 294.307 1.602 20 5 CDBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226007534 941940273 /nfs/dbraw/zinc/94/02/73/941940273.db2.gz PEPKAWFPNORASD-ZEGGKSINSA-N 1 2 294.282 1.917 20 5 CDBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226007534 941940276 /nfs/dbraw/zinc/94/02/76/941940276.db2.gz PEPKAWFPNORASD-ZEGGKSINSA-N 1 2 294.282 1.917 20 5 CDBDLO C[C@@H](C[N+](C)(C)C)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226785226 942070006 /nfs/dbraw/zinc/07/00/06/942070006.db2.gz LXYWOAWMJPJWHQ-ZETCQYMHSA-O 1 2 268.366 1.115 20 5 CDBDLO CSc1nc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625030 942198245 /nfs/dbraw/zinc/19/82/45/942198245.db2.gz MSZYGJDVGSEWSA-LURJTMIESA-N 1 2 288.329 1.141 20 5 CDBDLO CNC(=O)C[N@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219621 943173311 /nfs/dbraw/zinc/17/33/11/943173311.db2.gz WSDPFRRBPQJLGJ-UHFFFAOYSA-N 1 2 294.358 1.961 20 5 CDBDLO CNC(=O)C[N@@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219621 943173317 /nfs/dbraw/zinc/17/33/17/943173317.db2.gz WSDPFRRBPQJLGJ-UHFFFAOYSA-N 1 2 294.358 1.961 20 5 CDBDLO CN(C)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001346226932 964997338 /nfs/dbraw/zinc/99/73/38/964997338.db2.gz YPHFELJUMRXQQP-LBPRGKRZSA-N 1 2 271.748 1.809 20 5 CDBDLO O=C(C[N@H+]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611517235 346808474 /nfs/dbraw/zinc/80/84/74/346808474.db2.gz KAMCRQNCGJDALV-UHFFFAOYSA-N 1 2 261.281 1.795 20 5 CDBDLO O=C(C[N@@H+]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611517235 346808478 /nfs/dbraw/zinc/80/84/78/346808478.db2.gz KAMCRQNCGJDALV-UHFFFAOYSA-N 1 2 261.281 1.795 20 5 CDBDLO Cc1nn(C)c(NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000047331001 342098209 /nfs/dbraw/zinc/09/82/09/342098209.db2.gz FTARUESASJCGOV-UHFFFAOYSA-N 1 2 297.359 1.159 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000591150719 342618935 /nfs/dbraw/zinc/61/89/35/342618935.db2.gz VIIYJDPRCICOSN-LDYMZIIASA-N 1 2 284.291 1.260 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000591150719 342618936 /nfs/dbraw/zinc/61/89/36/342618936.db2.gz VIIYJDPRCICOSN-LDYMZIIASA-N 1 2 284.291 1.260 20 5 CDBDLO CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075431395 342310818 /nfs/dbraw/zinc/31/08/18/342310818.db2.gz OELHUTQMCBZMJD-UHFFFAOYSA-N 1 2 274.280 1.872 20 5 CDBDLO Cc1noc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595352867 343037628 /nfs/dbraw/zinc/03/76/28/343037628.db2.gz PWLPKQHCSPQTCX-GXSJLCMTSA-N 1 2 299.352 1.598 20 5 CDBDLO Cc1noc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595352867 343037629 /nfs/dbraw/zinc/03/76/29/343037629.db2.gz PWLPKQHCSPQTCX-GXSJLCMTSA-N 1 2 299.352 1.598 20 5 CDBDLO CCOCCO[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595396777 343047862 /nfs/dbraw/zinc/04/78/62/343047862.db2.gz YYIRBKWAADCYFJ-NSHDSACASA-N 1 2 299.327 1.519 20 5 CDBDLO CCOCCO[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595396777 343047863 /nfs/dbraw/zinc/04/78/63/343047863.db2.gz YYIRBKWAADCYFJ-NSHDSACASA-N 1 2 299.327 1.519 20 5 CDBDLO Cc1noc(C[N@@H+](C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595508936 343080711 /nfs/dbraw/zinc/08/07/11/343080711.db2.gz COYIZRSEDKYTIR-UHFFFAOYSA-N 1 2 255.274 1.238 20 5 CDBDLO Cc1noc(C[N@H+](C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595508936 343080713 /nfs/dbraw/zinc/08/07/13/343080713.db2.gz COYIZRSEDKYTIR-UHFFFAOYSA-N 1 2 255.274 1.238 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093414386 342428201 /nfs/dbraw/zinc/42/82/01/342428201.db2.gz WUXURNPOEHDLNL-UHFFFAOYSA-N 1 2 254.286 1.503 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093414386 342428202 /nfs/dbraw/zinc/42/82/02/342428202.db2.gz WUXURNPOEHDLNL-UHFFFAOYSA-N 1 2 254.286 1.503 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092096597 342410881 /nfs/dbraw/zinc/41/08/81/342410881.db2.gz DUGYHDBRXJYTNL-GFCCVEGCSA-N 1 2 279.296 1.011 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092096597 342410882 /nfs/dbraw/zinc/41/08/82/342410882.db2.gz DUGYHDBRXJYTNL-GFCCVEGCSA-N 1 2 279.296 1.011 20 5 CDBDLO COC(=O)c1ccnc(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000598597780 343841668 /nfs/dbraw/zinc/84/16/68/343841668.db2.gz IALNSKZKMUEKBK-UHFFFAOYSA-N 1 2 291.267 1.136 20 5 CDBDLO Cc1cccc(NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599160451 343971057 /nfs/dbraw/zinc/97/10/57/343971057.db2.gz JPDPPBIIWLMEIC-NSHDSACASA-N 1 2 265.313 1.646 20 5 CDBDLO Cc1cccc(NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599160451 343971058 /nfs/dbraw/zinc/97/10/58/343971058.db2.gz JPDPPBIIWLMEIC-NSHDSACASA-N 1 2 265.313 1.646 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000317445102 260228625 /nfs/dbraw/zinc/22/86/25/260228625.db2.gz MZFZDJWLWCORFV-JOYOIKCWSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000317445102 260228627 /nfs/dbraw/zinc/22/86/27/260228627.db2.gz MZFZDJWLWCORFV-JOYOIKCWSA-N 1 2 286.715 1.033 20 5 CDBDLO CCc1cc(NCc2cc([N+](=O)[O-])ccc2OC)nc[nH+]1 ZINC000609586306 345819527 /nfs/dbraw/zinc/81/95/27/345819527.db2.gz ITITWKBYRFXJAZ-UHFFFAOYSA-N 1 2 288.307 1.990 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614420516 348106829 /nfs/dbraw/zinc/10/68/29/348106829.db2.gz XXNVDNREJFAIHS-JTQLQIEISA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000614420516 348106830 /nfs/dbraw/zinc/10/68/30/348106830.db2.gz XXNVDNREJFAIHS-JTQLQIEISA-N 1 2 291.286 1.772 20 5 CDBDLO O=C(NCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000063707365 348929335 /nfs/dbraw/zinc/92/93/35/348929335.db2.gz ALMUFCQVXYBWGJ-UHFFFAOYSA-N 1 2 286.291 1.832 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000619696742 350835773 /nfs/dbraw/zinc/83/57/73/350835773.db2.gz KXNUHQOMAGTXKK-HTQZYQBOSA-N 1 2 272.330 1.182 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCO1 ZINC000619696742 350835775 /nfs/dbraw/zinc/83/57/75/350835775.db2.gz KXNUHQOMAGTXKK-HTQZYQBOSA-N 1 2 272.330 1.182 20 5 CDBDLO Cn1ncnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292069299 198152219 /nfs/dbraw/zinc/15/22/19/198152219.db2.gz DJJLPFYCCBPDCQ-UHFFFAOYSA-N 1 2 275.312 1.748 20 5 CDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000157330094 188311147 /nfs/dbraw/zinc/31/11/47/188311147.db2.gz 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367534496 /nfs/dbraw/zinc/53/44/96/367534496.db2.gz IKVXSSDGVDLPLE-NSHDSACASA-N 1 2 293.323 1.156 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000348569935 367534501 /nfs/dbraw/zinc/53/45/01/367534501.db2.gz IKVXSSDGVDLPLE-NSHDSACASA-N 1 2 293.323 1.156 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C(N)=O ZINC000295696338 370574426 /nfs/dbraw/zinc/57/44/26/370574426.db2.gz MBIKYMZJPIHIAZ-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C(N)=O ZINC000295696338 370574430 /nfs/dbraw/zinc/57/44/30/370574430.db2.gz MBIKYMZJPIHIAZ-UHFFFAOYSA-N 1 2 285.731 1.944 20 5 CDBDLO O=C(CCn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000195104343 372935855 /nfs/dbraw/zinc/93/58/55/372935855.db2.gz UMMLMRQNJSQGTM-UHFFFAOYSA-N 1 2 260.253 1.820 20 5 CDBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655500 373399775 /nfs/dbraw/zinc/39/97/75/373399775.db2.gz OBZOBRVVLCJWDM-UHIISALHSA-N 1 2 280.324 1.737 20 5 CDBDLO 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/nfs/dbraw/zinc/41/45/70/378414570.db2.gz ORJMFQMJBVYUKI-LLVKDONJSA-N 1 2 296.323 1.703 20 5 CDBDLO Cc1nc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)no1 ZINC000266888655 190287825 /nfs/dbraw/zinc/28/78/25/190287825.db2.gz CVVVSXIZIXECOI-UHFFFAOYSA-N 1 2 280.288 1.008 20 5 CDBDLO O=c1c([N+](=O)[O-])cccn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000175256789 379682177 /nfs/dbraw/zinc/68/21/77/379682177.db2.gz CACRDUIRBNTDJY-UHFFFAOYSA-N 1 2 297.274 1.386 20 5 CDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCn2cc[nH+]c2C1 ZINC000491863925 253107029 /nfs/dbraw/zinc/10/70/29/253107029.db2.gz FJTPBXDXGLHILF-PLNGDYQASA-N 1 2 298.302 1.847 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(O)CC1 ZINC000303400042 285154873 /nfs/dbraw/zinc/15/48/73/285154873.db2.gz KSMQEKLDBIMHPV-UHFFFAOYSA-N 1 2 254.261 1.691 20 5 CDBDLO CC(C)C[N@H+](CC(N)=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505641268 254091434 /nfs/dbraw/zinc/09/14/34/254091434.db2.gz UNTPAKIFUVSSEG-UHFFFAOYSA-N 1 2 283.303 1.677 20 5 CDBDLO CC(C)C[N@@H+](CC(N)=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505641268 254091436 /nfs/dbraw/zinc/09/14/36/254091436.db2.gz UNTPAKIFUVSSEG-UHFFFAOYSA-N 1 2 283.303 1.677 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn[nH]1 ZINC000450972835 390583460 /nfs/dbraw/zinc/58/34/60/390583460.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 1 2 261.285 1.387 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn[nH]1 ZINC000450972835 390583464 /nfs/dbraw/zinc/58/34/64/390583464.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 1 2 261.285 1.387 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nn1 ZINC000450972835 390583468 /nfs/dbraw/zinc/58/34/68/390583468.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 1 2 261.285 1.387 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nn1 ZINC000450972835 390583473 /nfs/dbraw/zinc/58/34/73/390583473.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 1 2 261.285 1.387 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn[nH]n1 ZINC000450972835 390583479 /nfs/dbraw/zinc/58/34/79/390583479.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 1 2 261.285 1.387 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn[nH]n1 ZINC000450972835 390583481 /nfs/dbraw/zinc/58/34/81/390583481.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 1 2 261.285 1.387 20 5 CDBDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000152677607 391407196 /nfs/dbraw/zinc/40/71/96/391407196.db2.gz HFDMZMQYNCQUCJ-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000573900503 391607701 /nfs/dbraw/zinc/60/77/01/391607701.db2.gz NEQXDSQKBRZMJL-LLVKDONJSA-N 1 2 288.307 1.711 20 5 CDBDLO COCCNC(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000459759212 392504124 /nfs/dbraw/zinc/50/41/24/392504124.db2.gz RBLGIEYQLIONKJ-UHFFFAOYSA-N 1 2 299.352 1.041 20 5 CDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000521269076 392866125 /nfs/dbraw/zinc/86/61/25/392866125.db2.gz QJKKCKQOJMXVHC-JTQLQIEISA-N 1 2 288.307 1.813 20 5 CDBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000521269076 392866130 /nfs/dbraw/zinc/86/61/30/392866130.db2.gz QJKKCKQOJMXVHC-JTQLQIEISA-N 1 2 288.307 1.813 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000421555073 392937998 /nfs/dbraw/zinc/93/79/98/392937998.db2.gz LATHAFYSZFWYCO-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO O=[N+]([O-])c1cn(CCCn2cc[nH+]c2)nc1C1CC1 ZINC000195045669 393049516 /nfs/dbraw/zinc/04/95/16/393049516.db2.gz XEQGCJZUXGLGJS-UHFFFAOYSA-N 1 2 261.285 1.956 20 5 CDBDLO CC(C)C[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232617092 140223267 /nfs/dbraw/zinc/22/32/67/140223267.db2.gz QLTFDLGYQHUWHE-VIFPVBQESA-N 1 2 267.285 1.612 20 5 CDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[NH2+]C1 ZINC000037326117 173127501 /nfs/dbraw/zinc/12/75/01/173127501.db2.gz XLKZMQWFLGWQQX-QMMMGPOBSA-N 1 2 265.269 1.239 20 5 CDBDLO Cc1cccc2[nH+]c(Cn3cnc([N+](=O)[O-])n3)cn21 ZINC000077250450 177239261 /nfs/dbraw/zinc/23/92/61/177239261.db2.gz CLDYMZGTGXFZSY-UHFFFAOYSA-N 1 2 258.241 1.191 20 5 CDBDLO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000250073143 270305045 /nfs/dbraw/zinc/30/50/45/270305045.db2.gz ODYPNXXOTKYHPQ-HZMBPMFUSA-N 1 2 291.351 1.989 20 5 CDBDLO Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000250073143 270305047 /nfs/dbraw/zinc/30/50/47/270305047.db2.gz ODYPNXXOTKYHPQ-HZMBPMFUSA-N 1 2 291.351 1.989 20 5 CDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189781390 279201649 /nfs/dbraw/zinc/20/16/49/279201649.db2.gz JBCOVQAPJFEOMQ-AWEZNQCLSA-N 1 2 291.351 1.941 20 5 CDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189781390 279201651 /nfs/dbraw/zinc/20/16/51/279201651.db2.gz JBCOVQAPJFEOMQ-AWEZNQCLSA-N 1 2 291.351 1.941 20 5 CDBDLO COc1cc[nH+]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000130980150 279659833 /nfs/dbraw/zinc/65/98/33/279659833.db2.gz XNMBDPACOZMCRF-UHFFFAOYSA-N 1 2 261.237 1.208 20 5 CDBDLO C[C@H]1C[NH+](Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)S1 ZINC000530624148 281562152 /nfs/dbraw/zinc/56/21/52/281562152.db2.gz PXICOFWZJBUVCA-IUCAKERBSA-N 1 2 270.358 1.654 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000561984087 293108947 /nfs/dbraw/zinc/10/89/47/293108947.db2.gz VRTFXKJWYYYJQU-IUODEOHRSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000561984087 293108948 /nfs/dbraw/zinc/10/89/48/293108948.db2.gz VRTFXKJWYYYJQU-IUODEOHRSA-N 1 2 294.351 1.875 20 5 CDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1[NH3+] ZINC000261965796 300193897 /nfs/dbraw/zinc/19/38/97/300193897.db2.gz BDAGNMOCSZALTG-WPRPVWTQSA-N 1 2 279.296 1.110 20 5 CDBDLO CC[C@@H](F)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582160552 324917824 /nfs/dbraw/zinc/91/78/24/324917824.db2.gz LGAHZUANDIJMDN-LLVKDONJSA-N 1 2 282.319 1.860 20 5 CDBDLO Cc1nn(CC[N@H+]2CCOC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000188185007 526280184 /nfs/dbraw/zinc/28/01/84/526280184.db2.gz IMDATLZFTOGRGI-SECBINFHSA-N 1 2 268.317 1.129 20 5 CDBDLO Cc1nn(CC[N@@H+]2CCOC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000188185007 526280186 /nfs/dbraw/zinc/28/01/86/526280186.db2.gz IMDATLZFTOGRGI-SECBINFHSA-N 1 2 268.317 1.129 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000364726159 527414248 /nfs/dbraw/zinc/41/42/48/527414248.db2.gz WVOANRXKZLVYGY-LLVKDONJSA-N 1 2 276.300 1.352 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000364726159 527414252 /nfs/dbraw/zinc/41/42/52/527414252.db2.gz WVOANRXKZLVYGY-LLVKDONJSA-N 1 2 276.300 1.352 20 5 CDBDLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000754691937 576911257 /nfs/dbraw/zinc/91/12/57/576911257.db2.gz HUWZIWQOCXSACV-PELKAZGASA-N 1 2 292.295 1.670 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H]3CO)c2)c1 ZINC000902631445 625062744 /nfs/dbraw/zinc/06/27/44/625062744.db2.gz HYBOUQKODWSVOV-AWEZNQCLSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H]3CO)c2)c1 ZINC000902631445 625062749 /nfs/dbraw/zinc/06/27/49/625062749.db2.gz HYBOUQKODWSVOV-AWEZNQCLSA-N 1 2 288.307 1.482 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1ccsc1Br ZINC000905251948 626705796 /nfs/dbraw/zinc/70/57/96/626705796.db2.gz ATIQIEORUJNNHS-UHFFFAOYSA-N 1 2 265.132 1.877 20 5 CDBDLO Cc1nn(C[NH+]2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000779864510 678118381 /nfs/dbraw/zinc/11/83/81/678118381.db2.gz ZGHYDHXJMVKILB-UHFFFAOYSA-N 1 2 294.355 1.948 20 5 CDBDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000931656994 678189007 /nfs/dbraw/zinc/18/90/07/678189007.db2.gz WIIUZDWDVFJISG-LLVKDONJSA-N 1 2 299.277 1.487 20 5 CDBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886303920 678225732 /nfs/dbraw/zinc/22/57/32/678225732.db2.gz JEONFQKBLRESQH-ZDUSSCGKSA-N 1 2 292.339 1.480 20 5 CDBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886303920 678225735 /nfs/dbraw/zinc/22/57/35/678225735.db2.gz JEONFQKBLRESQH-ZDUSSCGKSA-N 1 2 292.339 1.480 20 5 CDBDLO CC(C)(CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[N+](=O)[O-] ZINC000823087617 678490106 /nfs/dbraw/zinc/49/01/06/678490106.db2.gz BYKBBWFMLHAREZ-LBPRGKRZSA-N 1 2 294.355 1.882 20 5 CDBDLO COC[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933331829 678669678 /nfs/dbraw/zinc/66/96/78/678669678.db2.gz DGIHQDANGZKTNU-CQSZACIVSA-N 1 2 280.324 1.485 20 5 CDBDLO COC[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933331829 678669682 /nfs/dbraw/zinc/66/96/82/678669682.db2.gz DGIHQDANGZKTNU-CQSZACIVSA-N 1 2 280.324 1.485 20 5 CDBDLO C[S@@](=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000828428869 679105371 /nfs/dbraw/zinc/10/53/71/679105371.db2.gz OVVPHWCNWFSECE-LJQANCHMSA-N 1 2 282.365 1.938 20 5 CDBDLO C[S@@](=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000828428869 679105372 /nfs/dbraw/zinc/10/53/72/679105372.db2.gz OVVPHWCNWFSECE-LJQANCHMSA-N 1 2 282.365 1.938 20 5 CDBDLO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1F ZINC000782621980 679408825 /nfs/dbraw/zinc/40/88/25/679408825.db2.gz NYARCDPZUQUXHZ-YGRLFVJLSA-N 1 2 296.298 1.557 20 5 CDBDLO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1F ZINC000782621980 679408827 /nfs/dbraw/zinc/40/88/27/679408827.db2.gz NYARCDPZUQUXHZ-YGRLFVJLSA-N 1 2 296.298 1.557 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@H](F)C1 ZINC001593483033 1174085634 /nfs/dbraw/zinc/08/56/34/1174085634.db2.gz RROWGZHWCSVEOX-MRVPVSSYSA-N 1 2 292.274 1.319 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC[C@@H](F)C1 ZINC001593483033 1174085643 /nfs/dbraw/zinc/08/56/43/1174085643.db2.gz RROWGZHWCSVEOX-MRVPVSSYSA-N 1 2 292.274 1.319 20 5 CDBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1nccc(N)c1[N+](=O)[O-] ZINC001167993198 905150788 /nfs/dbraw/zinc/15/07/88/905150788.db2.gz VDDLLGINXKTTHW-UHFFFAOYSA-N 1 2 290.258 1.743 20 5 CDBDLO Cc1c[n+]([O-])c(NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001168312179 908976688 /nfs/dbraw/zinc/97/66/88/908976688.db2.gz ZFAXDNTYODAZJX-UHFFFAOYSA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N)c1 ZINC001156755959 938414894 /nfs/dbraw/zinc/41/48/94/938414894.db2.gz LBQMYDXGYBACBE-UHFFFAOYSA-N 1 2 259.269 1.888 20 5 CDBDLO Cc1ccnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001162850485 939153403 /nfs/dbraw/zinc/15/34/03/939153403.db2.gz ZFAPCLOWIBLIMD-VIFPVBQESA-N 1 2 296.327 1.379 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCn1cc[nH+]c1 ZINC001222135552 941568894 /nfs/dbraw/zinc/56/88/94/941568894.db2.gz ZRWIDQKJXKLRRY-SNVBAGLBSA-N 1 2 279.300 1.402 20 5 CDBDLO CSc1nc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625031 942198080 /nfs/dbraw/zinc/19/80/80/942198080.db2.gz MSZYGJDVGSEWSA-ZCFIWIBFSA-N 1 2 288.329 1.141 20 5 CDBDLO C[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC001326024134 954186854 /nfs/dbraw/zinc/18/68/54/954186854.db2.gz YWDCJEBWTVDNGK-VIFPVBQESA-N 1 2 279.300 1.863 20 5 CDBDLO CCn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC001520443154 970186883 /nfs/dbraw/zinc/18/68/83/970186883.db2.gz WJJLCFBQZQGPOS-UHFFFAOYSA-N 1 2 278.268 1.507 20 5 CDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccsc1[N+](=O)[O-] ZINC000588070194 342492137 /nfs/dbraw/zinc/49/21/37/342492137.db2.gz OAVCXDFAGKXXHH-QWRGUYRKSA-N 1 2 297.380 1.956 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000048615555 342258939 /nfs/dbraw/zinc/25/89/39/342258939.db2.gz BXNQNVZQCNQQCT-LLVKDONJSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000048615555 342258940 /nfs/dbraw/zinc/25/89/40/342258940.db2.gz BXNQNVZQCNQQCT-LLVKDONJSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273919153 192362984 /nfs/dbraw/zinc/36/29/84/192362984.db2.gz JJGVZYNKLQNAGB-UHFFFAOYSA-N 1 2 259.269 1.743 20 5 CDBDLO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598342504 343770808 /nfs/dbraw/zinc/77/08/08/343770808.db2.gz OCFBAXLNSPMDIN-SNVBAGLBSA-N 1 2 293.323 1.515 20 5 CDBDLO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598342504 343770809 /nfs/dbraw/zinc/77/08/09/343770809.db2.gz OCFBAXLNSPMDIN-SNVBAGLBSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cnc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599161529 343971771 /nfs/dbraw/zinc/97/17/71/343971771.db2.gz QWCUDXBXROKLAV-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cnc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599161529 343971773 /nfs/dbraw/zinc/97/17/73/343971773.db2.gz QWCUDXBXROKLAV-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO COc1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000599430156 344056680 /nfs/dbraw/zinc/05/66/80/344056680.db2.gz MYRPEYXWLWFBTR-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO CCOCCOC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602603314 344489363 /nfs/dbraw/zinc/48/93/63/344489363.db2.gz OCWJRIVKJNSLRH-UHFFFAOYSA-N 1 2 294.351 1.875 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602869037 344640161 /nfs/dbraw/zinc/64/01/61/344640161.db2.gz FMBNSSYTNABZHN-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000539059911 282445240 /nfs/dbraw/zinc/44/52/40/282445240.db2.gz KPZDIUIBDCWLOM-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000610506574 346297715 /nfs/dbraw/zinc/29/77/15/346297715.db2.gz DEPDAXKOBMASJS-PWSUYJOCSA-N 1 2 293.298 1.587 20 5 CDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000610506574 346297717 /nfs/dbraw/zinc/29/77/17/346297717.db2.gz DEPDAXKOBMASJS-PWSUYJOCSA-N 1 2 293.298 1.587 20 5 CDBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000584681921 346402347 /nfs/dbraw/zinc/40/23/47/346402347.db2.gz ADXYRYOQIURDPE-NSHDSACASA-N 1 2 288.369 1.874 20 5 CDBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000584681921 346402349 /nfs/dbraw/zinc/40/23/49/346402349.db2.gz ADXYRYOQIURDPE-NSHDSACASA-N 1 2 288.369 1.874 20 5 CDBDLO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000106364609 186111100 /nfs/dbraw/zinc/11/11/00/186111100.db2.gz DETRBXBHQJDAPG-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO CC(C)n1cnnc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000292522232 198319865 /nfs/dbraw/zinc/31/98/65/198319865.db2.gz WISWLSOCIHLYQT-UHFFFAOYSA-N 1 2 293.331 1.096 20 5 CDBDLO CC(C)n1cnnc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000292522232 198319866 /nfs/dbraw/zinc/31/98/66/198319866.db2.gz WISWLSOCIHLYQT-UHFFFAOYSA-N 1 2 293.331 1.096 20 5 CDBDLO C[C@H](CNc1ncc([N+](=O)[O-])cn1)Cn1cc[nH+]c1 ZINC000273684234 192260530 /nfs/dbraw/zinc/26/05/30/192260530.db2.gz ZRUIGVFJYMAMOV-SECBINFHSA-N 1 2 262.273 1.330 20 5 CDBDLO C[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000084671228 358957089 /nfs/dbraw/zinc/95/70/89/358957089.db2.gz HOHACJTXMHYPLN-UHFFFAOYSA-N 1 2 288.307 1.464 20 5 CDBDLO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339623261 359418229 /nfs/dbraw/zinc/41/82/29/359418229.db2.gz MUURQGOXWUQGSS-QWRGUYRKSA-N 1 2 279.340 1.825 20 5 CDBDLO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112401127 360509037 /nfs/dbraw/zinc/50/90/37/360509037.db2.gz FWTLBBRWDHUCNA-UHFFFAOYSA-N 1 2 295.339 1.762 20 5 CDBDLO CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112401127 360509040 /nfs/dbraw/zinc/50/90/40/360509040.db2.gz FWTLBBRWDHUCNA-UHFFFAOYSA-N 1 2 295.339 1.762 20 5 CDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000456380273 364280849 /nfs/dbraw/zinc/28/08/49/364280849.db2.gz JNWGRIGSBUIZPL-VIFPVBQESA-N 1 2 291.311 1.641 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090007138 367006565 /nfs/dbraw/zinc/00/65/65/367006565.db2.gz AOWNYJVAFDVAOV-CABCVRRESA-N 1 2 292.335 1.739 20 5 CDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090007138 367006570 /nfs/dbraw/zinc/00/65/70/367006570.db2.gz AOWNYJVAFDVAOV-CABCVRRESA-N 1 2 292.335 1.739 20 5 CDBDLO Cc1nn(C)c(NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000170640431 367282064 /nfs/dbraw/zinc/28/20/64/367282064.db2.gz VRRSNWYEDAVCKC-UHFFFAOYSA-N 1 2 297.359 1.159 20 5 CDBDLO Cc1nn(C)c(NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000170640431 367282066 /nfs/dbraw/zinc/28/20/66/367282066.db2.gz VRRSNWYEDAVCKC-UHFFFAOYSA-N 1 2 297.359 1.159 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000330463025 367789320 /nfs/dbraw/zinc/78/93/20/367789320.db2.gz ZHXXNQYUQRUXIT-UHFFFAOYSA-N 1 2 296.323 1.274 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000330463025 367789324 /nfs/dbraw/zinc/78/93/24/367789324.db2.gz ZHXXNQYUQRUXIT-UHFFFAOYSA-N 1 2 296.323 1.274 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)CCCO)c(F)c1 ZINC000286337857 368787174 /nfs/dbraw/zinc/78/71/74/368787174.db2.gz IKMNIVKRXQEDMF-UHFFFAOYSA-N 1 2 290.266 1.050 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)CCCO)c(F)c1 ZINC000286337857 368787178 /nfs/dbraw/zinc/78/71/78/368787178.db2.gz IKMNIVKRXQEDMF-UHFFFAOYSA-N 1 2 290.266 1.050 20 5 CDBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C(N)=O ZINC000078534013 374317942 /nfs/dbraw/zinc/31/79/42/374317942.db2.gz CTSPKPRQVXFRNE-LLVKDONJSA-N 1 2 295.339 1.225 20 5 CDBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C(N)=O ZINC000078534013 374317949 /nfs/dbraw/zinc/31/79/49/374317949.db2.gz CTSPKPRQVXFRNE-LLVKDONJSA-N 1 2 295.339 1.225 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000330449541 374855668 /nfs/dbraw/zinc/85/56/68/374855668.db2.gz JBYULWHPZIQNTF-LDYMZIIASA-N 1 2 279.296 1.904 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000330449541 374855674 /nfs/dbraw/zinc/85/56/74/374855674.db2.gz JBYULWHPZIQNTF-LDYMZIIASA-N 1 2 279.296 1.904 20 5 CDBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351977490 375345583 /nfs/dbraw/zinc/34/55/83/375345583.db2.gz HYVRMXVGOMFVLZ-SNVBAGLBSA-N 1 2 266.297 1.824 20 5 CDBDLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351977490 375345590 /nfs/dbraw/zinc/34/55/90/375345590.db2.gz HYVRMXVGOMFVLZ-SNVBAGLBSA-N 1 2 266.297 1.824 20 5 CDBDLO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000262176758 190050317 /nfs/dbraw/zinc/05/03/17/190050317.db2.gz KQLUOWLECCQXPJ-UHFFFAOYSA-N 1 2 293.323 1.372 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000278813536 194166253 /nfs/dbraw/zinc/16/62/53/194166253.db2.gz IRFXQIPMKCIBAV-NSHDSACASA-N 1 2 297.330 1.891 20 5 CDBDLO COCC[NH+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000267079666 190301597 /nfs/dbraw/zinc/30/15/97/190301597.db2.gz XOZNAVBZWFRZHK-UHFFFAOYSA-N 1 2 286.303 1.829 20 5 CDBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267613799 190341383 /nfs/dbraw/zinc/34/13/83/190341383.db2.gz CAEPNWHQDRMLFK-CYBMUJFWSA-N 1 2 282.271 1.682 20 5 CDBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267613799 190341384 /nfs/dbraw/zinc/34/13/84/190341384.db2.gz CAEPNWHQDRMLFK-CYBMUJFWSA-N 1 2 282.271 1.682 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000290654025 285178927 /nfs/dbraw/zinc/17/89/27/285178927.db2.gz IYMKKOSAHBYRRM-UHFFFAOYSA-N 1 2 279.687 1.860 20 5 CDBDLO Cc1c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000175904906 390666666 /nfs/dbraw/zinc/66/66/66/390666666.db2.gz MSQLVFNPGIPNRJ-LBPRGKRZSA-N 1 2 290.323 1.113 20 5 CDBDLO Cc1c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000175904906 390666669 /nfs/dbraw/zinc/66/66/69/390666669.db2.gz MSQLVFNPGIPNRJ-LBPRGKRZSA-N 1 2 290.323 1.113 20 5 CDBDLO O=C1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CN1 ZINC000413477214 391217893 /nfs/dbraw/zinc/21/78/93/391217893.db2.gz GEOAGITYFGKNKJ-VIFPVBQESA-N 1 2 286.291 1.691 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046889484 391678867 /nfs/dbraw/zinc/67/88/67/391678867.db2.gz ZQZKWRBHVACLEJ-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H](CC)O1 ZINC000420962622 392922570 /nfs/dbraw/zinc/92/25/70/392922570.db2.gz UKEVSWHOJRUXQX-PHIMTYICSA-N 1 2 282.344 1.718 20 5 CDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H](CC)O1 ZINC000420962622 392922571 /nfs/dbraw/zinc/92/25/71/392922571.db2.gz UKEVSWHOJRUXQX-PHIMTYICSA-N 1 2 282.344 1.718 20 5 CDBDLO O=C1OCC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000494085346 393226499 /nfs/dbraw/zinc/22/64/99/393226499.db2.gz IONQFSRTKFLYBH-ZDUSSCGKSA-N 1 2 291.307 1.621 20 5 CDBDLO O=C1OCC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000494085346 393226505 /nfs/dbraw/zinc/22/65/05/393226505.db2.gz IONQFSRTKFLYBH-ZDUSSCGKSA-N 1 2 291.307 1.621 20 5 CDBDLO O=C(CCn1cc[nH+]c1)NCCc1ccccc1[N+](=O)[O-] ZINC000358897348 158065489 /nfs/dbraw/zinc/06/54/89/158065489.db2.gz DDWSKJIZMDOTGJ-UHFFFAOYSA-N 1 2 288.307 1.540 20 5 CDBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1C ZINC000276132277 287063499 /nfs/dbraw/zinc/06/34/99/287063499.db2.gz BLHASTZALYLZNP-RKDXNWHRSA-N 1 2 276.300 1.530 20 5 CDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408068165 288099314 /nfs/dbraw/zinc/09/93/14/288099314.db2.gz HGMVUGFNIOOCPC-DTWKUNHWSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408068165 288099317 /nfs/dbraw/zinc/09/93/17/288099317.db2.gz HGMVUGFNIOOCPC-DTWKUNHWSA-N 1 2 283.353 1.821 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135610724 280374308 /nfs/dbraw/zinc/37/43/08/280374308.db2.gz QSPLDKBICCQJES-UHFFFAOYSA-N 1 2 292.335 1.976 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135610724 280374310 /nfs/dbraw/zinc/37/43/10/280374310.db2.gz QSPLDKBICCQJES-UHFFFAOYSA-N 1 2 292.335 1.976 20 5 CDBDLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351190065 316243439 /nfs/dbraw/zinc/24/34/39/316243439.db2.gz VGTJJQXSDFMFMJ-LLVKDONJSA-N 1 2 290.279 1.648 20 5 CDBDLO C[N@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351190065 316243444 /nfs/dbraw/zinc/24/34/44/316243444.db2.gz VGTJJQXSDFMFMJ-LLVKDONJSA-N 1 2 290.279 1.648 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000493857776 482455086 /nfs/dbraw/zinc/45/50/86/482455086.db2.gz QKTQBAKYLMSRMX-ZZXKWVIFSA-N 1 2 272.264 1.648 20 5 CDBDLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339206283 524900171 /nfs/dbraw/zinc/90/01/71/524900171.db2.gz RVMGDOFECAFHGU-WDEREUQCSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339206283 524900179 /nfs/dbraw/zinc/90/01/79/524900179.db2.gz RVMGDOFECAFHGU-WDEREUQCSA-N 1 2 280.324 1.893 20 5 CDBDLO C[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725779687 574435592 /nfs/dbraw/zinc/43/55/92/574435592.db2.gz RLPNDXVNFYFYGG-VIFPVBQESA-N 1 2 289.291 1.490 20 5 CDBDLO C[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000725779687 574435591 /nfs/dbraw/zinc/43/55/91/574435591.db2.gz RLPNDXVNFYFYGG-VIFPVBQESA-N 1 2 289.291 1.490 20 5 CDBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000726588911 574501125 /nfs/dbraw/zinc/50/11/25/574501125.db2.gz TYPOPWDWOBZITN-JTQLQIEISA-N 1 2 282.300 1.166 20 5 CDBDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000726588911 574501127 /nfs/dbraw/zinc/50/11/27/574501127.db2.gz TYPOPWDWOBZITN-JTQLQIEISA-N 1 2 282.300 1.166 20 5 CDBDLO O=[N+]([O-])c1c(-n2c[nH+]c(CCCO)c2)nc2ccccn21 ZINC000731902771 575069679 /nfs/dbraw/zinc/06/96/79/575069679.db2.gz MWPGYDLBGLEXLL-UHFFFAOYSA-N 1 2 287.279 1.353 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000771938603 575639511 /nfs/dbraw/zinc/63/95/11/575639511.db2.gz HDIXKLZZHNBNQJ-UHFFFAOYSA-N 1 2 279.227 1.787 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000768239730 576266558 /nfs/dbraw/zinc/26/65/58/576266558.db2.gz KYORQPOETRFAQK-UHFFFAOYSA-N 1 2 294.307 1.639 20 5 CDBDLO COc1c(O)ccc(C[N@@H+]2CCCOC[C@H]2C)c1[N+](=O)[O-] ZINC000892077632 617467457 /nfs/dbraw/zinc/46/74/57/617467457.db2.gz WCTNAVMHBQCLGB-SNVBAGLBSA-N 1 2 296.323 1.920 20 5 CDBDLO COc1c(O)ccc(C[N@H+]2CCCOC[C@H]2C)c1[N+](=O)[O-] ZINC000892077632 617467460 /nfs/dbraw/zinc/46/74/60/617467460.db2.gz WCTNAVMHBQCLGB-SNVBAGLBSA-N 1 2 296.323 1.920 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895246888 619493771 /nfs/dbraw/zinc/49/37/71/619493771.db2.gz QXOUJWOLVXHDEZ-CMPLNLGQSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895246888 619493773 /nfs/dbraw/zinc/49/37/73/619493773.db2.gz QXOUJWOLVXHDEZ-CMPLNLGQSA-N 1 2 279.344 1.036 20 5 CDBDLO COCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000895971146 619928949 /nfs/dbraw/zinc/92/89/49/619928949.db2.gz LSKGONNRNQPTDC-UHFFFAOYSA-N 1 2 254.261 1.812 20 5 CDBDLO COC(=O)[C@H](C)C[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000102652677 682041734 /nfs/dbraw/zinc/04/17/34/682041734.db2.gz ICZAEEVEYDBLBF-SECBINFHSA-N 1 2 282.300 1.022 20 5 CDBDLO COC(=O)[C@H](C)C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000102652677 682041742 /nfs/dbraw/zinc/04/17/42/682041742.db2.gz ICZAEEVEYDBLBF-SECBINFHSA-N 1 2 282.300 1.022 20 5 CDBDLO Cc1cc(F)cc(C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000176159895 682308258 /nfs/dbraw/zinc/30/82/58/682308258.db2.gz OPJBHVANFKMTKU-UHFFFAOYSA-N 1 2 281.287 1.430 20 5 CDBDLO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000819366871 683283499 /nfs/dbraw/zinc/28/34/99/683283499.db2.gz ASMOUUWWFWNBFS-PELKAZGASA-N 1 2 294.336 1.831 20 5 CDBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853898400 683682833 /nfs/dbraw/zinc/68/28/33/683682833.db2.gz CPXBMNXMJSJHNB-SNVBAGLBSA-N 1 2 297.311 1.809 20 5 CDBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853898400 683682851 /nfs/dbraw/zinc/68/28/51/683682851.db2.gz CPXBMNXMJSJHNB-SNVBAGLBSA-N 1 2 297.311 1.809 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000048805690 683990853 /nfs/dbraw/zinc/99/08/53/683990853.db2.gz QGFZHLZJANKYBG-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)CN2CCn3c[nH+]cc3C2)c1 ZINC000852066931 684075113 /nfs/dbraw/zinc/07/51/13/684075113.db2.gz VVHVYFTWSKVLKO-CQSZACIVSA-N 1 2 288.307 1.341 20 5 CDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC001607077863 1164072585 /nfs/dbraw/zinc/07/25/85/1164072585.db2.gz UKXYICSUMNTMBL-JTQLQIEISA-N 1 2 292.274 1.319 20 5 CDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](F)C1 ZINC001607077863 1164072592 /nfs/dbraw/zinc/07/25/92/1164072592.db2.gz UKXYICSUMNTMBL-JTQLQIEISA-N 1 2 292.274 1.319 20 5 CDBDLO C[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794636991 1164528616 /nfs/dbraw/zinc/52/86/16/1164528616.db2.gz NEWLUSZOSDXSFF-VIFPVBQESA-N 1 2 277.280 1.945 20 5 CDBDLO C[C@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794636991 1164528626 /nfs/dbraw/zinc/52/86/26/1164528626.db2.gz NEWLUSZOSDXSFF-VIFPVBQESA-N 1 2 277.280 1.945 20 5 CDBDLO Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC001227221903 906131081 /nfs/dbraw/zinc/13/10/81/906131081.db2.gz HAQSEIDUZJQVNU-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC001227221903 906131100 /nfs/dbraw/zinc/13/11/00/906131100.db2.gz HAQSEIDUZJQVNU-SNVBAGLBSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001117289618 937506971 /nfs/dbraw/zinc/50/69/71/937506971.db2.gz LHCLQUBWSXEHNS-VXGBXAGGSA-N 1 2 294.355 1.241 20 5 CDBDLO CCN(c1nccc(C)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455214 938494440 /nfs/dbraw/zinc/49/44/40/938494440.db2.gz CXHJZUWULCRPTK-UHFFFAOYSA-N 1 2 250.302 1.439 20 5 CDBDLO Cc1nc(NCCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC001158148531 938587033 /nfs/dbraw/zinc/58/70/33/938587033.db2.gz UNEKYUASPYIEKM-UHFFFAOYSA-N 1 2 298.306 1.996 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001162682532 939115233 /nfs/dbraw/zinc/11/52/33/939115233.db2.gz DCPABCGVDJOMRY-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001162682532 939115235 /nfs/dbraw/zinc/11/52/35/939115235.db2.gz DCPABCGVDJOMRY-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787909 941913092 /nfs/dbraw/zinc/91/30/92/941913092.db2.gz IWMJVQLYMAPMKM-SECBINFHSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787909 941913093 /nfs/dbraw/zinc/91/30/93/941913093.db2.gz IWMJVQLYMAPMKM-SECBINFHSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258539 941977484 /nfs/dbraw/zinc/97/74/84/941977484.db2.gz OOSDCOAAKVKWGU-SECBINFHSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258539 941977488 /nfs/dbraw/zinc/97/74/88/941977488.db2.gz OOSDCOAAKVKWGU-SECBINFHSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3F)[C@H]1CC(=O)C2 ZINC001226266166 941978319 /nfs/dbraw/zinc/97/83/19/941978319.db2.gz QAHONNJLHRUQSX-BHYNMZESSA-N 1 2 294.282 1.917 20 5 CDBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3F)[C@H]1CC(=O)C2 ZINC001226266166 941978320 /nfs/dbraw/zinc/97/83/20/941978320.db2.gz QAHONNJLHRUQSX-BHYNMZESSA-N 1 2 294.282 1.917 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747817 942062138 /nfs/dbraw/zinc/06/21/38/942062138.db2.gz FHGDWURKUYDDJP-VIFPVBQESA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747817 942062144 /nfs/dbraw/zinc/06/21/44/942062144.db2.gz FHGDWURKUYDDJP-VIFPVBQESA-N 1 2 288.250 1.582 20 5 CDBDLO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972272 942402234 /nfs/dbraw/zinc/40/22/34/942402234.db2.gz VEIRKZKQFJVALW-JTQLQIEISA-N 1 2 282.296 1.868 20 5 CDBDLO CC(C)[N@H+]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972272 942402235 /nfs/dbraw/zinc/40/22/35/942402235.db2.gz VEIRKZKQFJVALW-JTQLQIEISA-N 1 2 282.296 1.868 20 5 CDBDLO C[S@@](=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326039146 954194322 /nfs/dbraw/zinc/19/43/22/954194322.db2.gz ONSSMOBYJGCOAJ-GOSISDBHSA-N 1 2 268.338 1.331 20 5 CDBDLO C[S@@](=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326039146 954194324 /nfs/dbraw/zinc/19/43/24/954194324.db2.gz ONSSMOBYJGCOAJ-GOSISDBHSA-N 1 2 268.338 1.331 20 5 CDBDLO Cc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC001326492411 954405665 /nfs/dbraw/zinc/40/56/65/954405665.db2.gz PEROJELZWLJIIY-LLVKDONJSA-N 1 2 288.311 1.731 20 5 CDBDLO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c[nH+]1 ZINC001303973413 956136701 /nfs/dbraw/zinc/13/67/01/956136701.db2.gz SRRTUAIMMLXPIR-UHFFFAOYSA-N 1 2 289.295 1.514 20 5 CDBDLO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)[nH+]1 ZINC001303973413 956136706 /nfs/dbraw/zinc/13/67/06/956136706.db2.gz SRRTUAIMMLXPIR-UHFFFAOYSA-N 1 2 289.295 1.514 20 5 CDBDLO Cn1cc[nH+]c1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001347512839 965564069 /nfs/dbraw/zinc/56/40/69/965564069.db2.gz ZCZMQKLEMRQIRB-UHFFFAOYSA-N 1 2 274.280 1.301 20 5 CDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029274 342087098 /nfs/dbraw/zinc/08/70/98/342087098.db2.gz OGHUYMRZBKGESF-UHFFFAOYSA-N 1 2 299.286 1.893 20 5 CDBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000593084395 342763587 /nfs/dbraw/zinc/76/35/87/342763587.db2.gz JVVQHDWRZITXFV-GWCFXTLKSA-N 1 2 294.307 1.357 20 5 CDBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000593084395 342763588 /nfs/dbraw/zinc/76/35/88/342763588.db2.gz JVVQHDWRZITXFV-GWCFXTLKSA-N 1 2 294.307 1.357 20 5 CDBDLO C[C@H](CCO)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593107744 342768962 /nfs/dbraw/zinc/76/89/62/342768962.db2.gz IBPFKKGGLWXOPU-SECBINFHSA-N 1 2 254.286 1.503 20 5 CDBDLO C[C@H](CCO)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593107744 342768963 /nfs/dbraw/zinc/76/89/63/342768963.db2.gz IBPFKKGGLWXOPU-SECBINFHSA-N 1 2 254.286 1.503 20 5 CDBDLO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000600508128 342229366 /nfs/dbraw/zinc/22/93/66/342229366.db2.gz IBRXTRQAYHYELW-UHFFFAOYSA-N 1 2 275.312 1.917 20 5 CDBDLO CCn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000595072429 343002480 /nfs/dbraw/zinc/00/24/80/343002480.db2.gz HCOFTAVYTKURSS-CYBMUJFWSA-N 1 2 287.323 1.983 20 5 CDBDLO CCN1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000595289949 343024162 /nfs/dbraw/zinc/02/41/62/343024162.db2.gz RPSVMHBBMDIYJY-ZDUSSCGKSA-N 1 2 277.324 1.647 20 5 CDBDLO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000595289949 343024164 /nfs/dbraw/zinc/02/41/64/343024164.db2.gz RPSVMHBBMDIYJY-ZDUSSCGKSA-N 1 2 277.324 1.647 20 5 CDBDLO Cc1noc(C[N@@H+](C)C2(C(N)=O)CCCC2)c1[N+](=O)[O-] ZINC000595394680 343047222 /nfs/dbraw/zinc/04/72/22/343047222.db2.gz YQBFKECWIWKIDD-UHFFFAOYSA-N 1 2 282.300 1.121 20 5 CDBDLO Cc1noc(C[N@H+](C)C2(C(N)=O)CCCC2)c1[N+](=O)[O-] ZINC000595394680 343047224 /nfs/dbraw/zinc/04/72/24/343047224.db2.gz YQBFKECWIWKIDD-UHFFFAOYSA-N 1 2 282.300 1.121 20 5 CDBDLO COC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079501713 342345546 /nfs/dbraw/zinc/34/55/46/342345546.db2.gz KLESRCRUOCBKFN-UHFFFAOYSA-N 1 2 278.308 1.775 20 5 CDBDLO COC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079501713 342345547 /nfs/dbraw/zinc/34/55/47/342345547.db2.gz KLESRCRUOCBKFN-UHFFFAOYSA-N 1 2 278.308 1.775 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH+]ccn1C ZINC000598458978 343804498 /nfs/dbraw/zinc/80/44/98/343804498.db2.gz AXMHGPZFSYDOAE-ZETCQYMHSA-N 1 2 280.309 1.881 20 5 CDBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]1 ZINC000598577016 343834104 /nfs/dbraw/zinc/83/41/04/343834104.db2.gz ZOSGZYINQKJKGI-NSHDSACASA-N 1 2 293.323 1.370 20 5 CDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])o1 ZINC000598946297 343926081 /nfs/dbraw/zinc/92/60/81/343926081.db2.gz GEGVUVHBUHMSHB-QMMMGPOBSA-N 1 2 276.252 1.129 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000603842325 344837909 /nfs/dbraw/zinc/83/79/09/344837909.db2.gz 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191240573 /nfs/dbraw/zinc/24/05/73/191240573.db2.gz VRTPKWOLLQOKRY-JTQLQIEISA-N 1 2 265.269 1.333 20 5 CDBDLO COc1cc[nH+]cc1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000292598181 198346368 /nfs/dbraw/zinc/34/63/68/198346368.db2.gz BVYPDSZWFNASNE-UHFFFAOYSA-N 1 2 277.284 1.652 20 5 CDBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000359910221 356441050 /nfs/dbraw/zinc/44/10/50/356441050.db2.gz ZKOGHOCJLGHLQV-AWEZNQCLSA-N 1 2 279.340 1.643 20 5 CDBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000359910221 356441052 /nfs/dbraw/zinc/44/10/52/356441052.db2.gz ZKOGHOCJLGHLQV-AWEZNQCLSA-N 1 2 279.340 1.643 20 5 CDBDLO Cn1cnnc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000286667439 357659813 /nfs/dbraw/zinc/65/98/13/357659813.db2.gz BFYJWXYFJPNMHL-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO Cn1cnnc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000286667439 357659819 /nfs/dbraw/zinc/65/98/19/357659819.db2.gz BFYJWXYFJPNMHL-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176197755 358736656 /nfs/dbraw/zinc/73/66/56/358736656.db2.gz VTZNGRKUZNMEAE-LLVKDONJSA-N 1 2 296.327 1.209 20 5 CDBDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176197755 358736658 /nfs/dbraw/zinc/73/66/58/358736658.db2.gz VTZNGRKUZNMEAE-LLVKDONJSA-N 1 2 296.327 1.209 20 5 CDBDLO CC(C)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1[nH]cc[nH+]1 ZINC000566073259 366474904 /nfs/dbraw/zinc/47/49/04/366474904.db2.gz FDIPGRTYDPVGCC-UHFFFAOYSA-N 1 2 263.257 1.311 20 5 CDBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccncc1F ZINC000338361861 359118497 /nfs/dbraw/zinc/11/84/97/359118497.db2.gz WRJVJTKNAIDTNU-MRVPVSSYSA-N 1 2 279.275 1.713 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+](CCO)CCO)c(Cl)c1 ZINC000050103426 359303455 /nfs/dbraw/zinc/30/34/55/359303455.db2.gz AOGOADFBMPRGHQ-UHFFFAOYSA-N 1 2 274.704 1.035 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCO1)CCO2 ZINC000339200853 359319408 /nfs/dbraw/zinc/31/94/08/359319408.db2.gz JJKLKLBYQUEBQR-ZDUSSCGKSA-N 1 2 278.308 1.968 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCO1)CCO2 ZINC000339200853 359319412 /nfs/dbraw/zinc/31/94/12/359319412.db2.gz JJKLKLBYQUEBQR-ZDUSSCGKSA-N 1 2 278.308 1.968 20 5 CDBDLO Cn1c2ccccc2[nH+]c1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000176995674 238254747 /nfs/dbraw/zinc/25/47/47/238254747.db2.gz QYDPPBBJPPVIEE-UHFFFAOYSA-N 1 2 284.275 1.692 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000168605987 361328317 /nfs/dbraw/zinc/32/83/17/361328317.db2.gz KLRNYSFJBNYQDP-MFKMUULPSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000168605987 361328322 /nfs/dbraw/zinc/32/83/22/361328322.db2.gz KLRNYSFJBNYQDP-MFKMUULPSA-N 1 2 266.297 1.176 20 5 CDBDLO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182125771 189314352 /nfs/dbraw/zinc/31/43/52/189314352.db2.gz HGFMYAJRBWIHNK-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182125771 189314353 /nfs/dbraw/zinc/31/43/53/189314353.db2.gz HGFMYAJRBWIHNK-LLVKDONJSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000053253736 361405634 /nfs/dbraw/zinc/40/56/34/361405634.db2.gz HPYPQRUIXNNCGQ-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO C[NH2+]Cc1noc([C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414644928 241293667 /nfs/dbraw/zinc/29/36/67/241293667.db2.gz PLUJCDFDGGKVDG-SSDOTTSWSA-N 1 2 280.259 1.988 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000274712356 370376705 /nfs/dbraw/zinc/37/67/05/370376705.db2.gz YIIMIVGJBMVDOP-SECBINFHSA-N 1 2 298.318 1.449 20 5 CDBDLO CS(=O)(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610762915 374134158 /nfs/dbraw/zinc/13/41/58/374134158.db2.gz FUJZRWIHHSVHFZ-UHFFFAOYSA-N 1 2 298.364 1.604 20 5 CDBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000373024092 374458047 /nfs/dbraw/zinc/45/80/47/374458047.db2.gz XETLJDWADZSQEB-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000373024092 374458052 /nfs/dbraw/zinc/45/80/52/374458052.db2.gz XETLJDWADZSQEB-JEOXALJRSA-N 1 2 282.365 1.938 20 5 CDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378517624 374648775 /nfs/dbraw/zinc/64/87/75/374648775.db2.gz GIRHSFYFYAFGBC-SSDOTTSWSA-N 1 2 276.256 1.018 20 5 CDBDLO Cc1nc(NCc2ccc(N(C)C)[nH+]c2)ncc1[N+](=O)[O-] ZINC000296215741 374679873 /nfs/dbraw/zinc/67/98/73/374679873.db2.gz CWXPNFNMSHUJCS-UHFFFAOYSA-N 1 2 288.311 1.766 20 5 CDBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000276623683 374736441 /nfs/dbraw/zinc/73/64/41/374736441.db2.gz FJORBAMNVXXUEZ-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277197856 374776423 /nfs/dbraw/zinc/77/64/23/374776423.db2.gz MHSZILZEIRHESE-ODXCJYRJSA-N 1 2 296.392 1.980 20 5 CDBDLO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277197856 374776428 /nfs/dbraw/zinc/77/64/28/374776428.db2.gz MHSZILZEIRHESE-ODXCJYRJSA-N 1 2 296.392 1.980 20 5 CDBDLO C[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1=O ZINC000331176866 374903687 /nfs/dbraw/zinc/90/36/87/374903687.db2.gz QBAJRNWLNBKOCI-RYUDHWBXSA-N 1 2 296.392 1.979 20 5 CDBDLO CC(=O)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332271354 375021771 /nfs/dbraw/zinc/02/17/71/375021771.db2.gz PQLFFYGCQPYEAW-UHFFFAOYSA-N 1 2 293.323 1.355 20 5 CDBDLO CC(=O)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332271354 375021774 /nfs/dbraw/zinc/02/17/74/375021774.db2.gz PQLFFYGCQPYEAW-UHFFFAOYSA-N 1 2 293.323 1.355 20 5 CDBDLO CC1(C)CNC(=O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000282465895 375088900 /nfs/dbraw/zinc/08/89/00/375088900.db2.gz GFESEDKMTSNHOE-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO CC1(C)CNC(=O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000282465895 375088905 /nfs/dbraw/zinc/08/89/05/375088905.db2.gz GFESEDKMTSNHOE-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO Cc1cccn2cc(Cn3cnc([N+](=O)[O-])n3)[nH+]c12 ZINC000048603128 375330625 /nfs/dbraw/zinc/33/06/25/375330625.db2.gz VHXQAQHJIFLTKP-UHFFFAOYSA-N 1 2 258.241 1.191 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354498804 375718226 /nfs/dbraw/zinc/71/82/26/375718226.db2.gz TVBVUQOVVCKJEI-UHFFFAOYSA-N 1 2 275.268 1.172 20 5 CDBDLO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000174358078 379461152 /nfs/dbraw/zinc/46/11/52/379461152.db2.gz NIDKQLRMATZUKA-LBPRGKRZSA-N 1 2 279.296 1.172 20 5 CDBDLO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000174358078 379461159 /nfs/dbraw/zinc/46/11/59/379461159.db2.gz NIDKQLRMATZUKA-LBPRGKRZSA-N 1 2 279.296 1.172 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267026364 190297634 /nfs/dbraw/zinc/29/76/34/190297634.db2.gz LLMBYIPURJSFNV-ZDUSSCGKSA-N 1 2 295.314 1.787 20 5 CDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267026364 190297635 /nfs/dbraw/zinc/29/76/35/190297635.db2.gz LLMBYIPURJSFNV-ZDUSSCGKSA-N 1 2 295.314 1.787 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000090360453 285113757 /nfs/dbraw/zinc/11/37/57/285113757.db2.gz SJXNOYFQHUJNDT-SNVBAGLBSA-N 1 2 267.241 1.070 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000090360453 285113758 /nfs/dbraw/zinc/11/37/58/285113758.db2.gz SJXNOYFQHUJNDT-SNVBAGLBSA-N 1 2 267.241 1.070 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000373395424 285173717 /nfs/dbraw/zinc/17/37/17/285173717.db2.gz UXBURZIUWCURMB-VIFPVBQESA-N 1 2 260.257 1.449 20 5 CDBDLO CN1C[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1=O ZINC000495650449 391033119 /nfs/dbraw/zinc/03/31/19/391033119.db2.gz IJYMKZXCVGJKCA-ZDUSSCGKSA-N 1 2 291.307 1.404 20 5 CDBDLO CN1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1=O ZINC000495650449 391033127 /nfs/dbraw/zinc/03/31/27/391033127.db2.gz IJYMKZXCVGJKCA-ZDUSSCGKSA-N 1 2 291.307 1.404 20 5 CDBDLO CCOC[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413160146 391167760 /nfs/dbraw/zinc/16/77/60/391167760.db2.gz XYHREOHJKAZMEC-GFCCVEGCSA-N 1 2 291.307 1.952 20 5 CDBDLO Cn1c2ccccc2[nH+]c1CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000345625252 391643037 /nfs/dbraw/zinc/64/30/37/391643037.db2.gz HHUMDVQASIBOPM-UHFFFAOYSA-N 1 2 298.302 1.886 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000430225789 393095343 /nfs/dbraw/zinc/09/53/43/393095343.db2.gz YXPBAYCCYVJJIW-GFCCVEGCSA-N 1 2 293.323 1.443 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000430225789 393095346 /nfs/dbraw/zinc/09/53/46/393095346.db2.gz YXPBAYCCYVJJIW-GFCCVEGCSA-N 1 2 293.323 1.443 20 5 CDBDLO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000217315948 140162902 /nfs/dbraw/zinc/16/29/02/140162902.db2.gz MBHXJDDVFTYFBJ-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)nc1 ZINC000093534415 147056118 /nfs/dbraw/zinc/05/61/18/147056118.db2.gz HQBMQQVFVJRXOP-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)nc1 ZINC000093534415 147056121 /nfs/dbraw/zinc/05/61/21/147056121.db2.gz HQBMQQVFVJRXOP-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)nc1 ZINC000093534415 147056124 /nfs/dbraw/zinc/05/61/24/147056124.db2.gz HQBMQQVFVJRXOP-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)nc1 ZINC000093534415 147056127 /nfs/dbraw/zinc/05/61/27/147056127.db2.gz HQBMQQVFVJRXOP-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO COC(=O)C(C)(C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000346018547 153026621 /nfs/dbraw/zinc/02/66/21/153026621.db2.gz RCJRQGADOUKXCR-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO COC(=O)C(C)(C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000346018547 153026624 /nfs/dbraw/zinc/02/66/24/153026624.db2.gz RCJRQGADOUKXCR-UHFFFAOYSA-N 1 2 296.323 1.857 20 5 CDBDLO O=C1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346492809 153207944 /nfs/dbraw/zinc/20/79/44/153207944.db2.gz RQTLPCVARVJVHU-CYBMUJFWSA-N 1 2 275.308 1.401 20 5 CDBDLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346492809 153207945 /nfs/dbraw/zinc/20/79/45/153207945.db2.gz RQTLPCVARVJVHU-CYBMUJFWSA-N 1 2 275.308 1.401 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359526182 158276820 /nfs/dbraw/zinc/27/68/20/158276820.db2.gz BQWGSVSZEGYINS-NSHDSACASA-N 1 2 294.286 1.291 20 5 CDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCOCC1 ZINC000363135296 159300760 /nfs/dbraw/zinc/30/07/60/159300760.db2.gz SGVMTXMFQHCIIF-LLVKDONJSA-N 1 2 293.323 1.644 20 5 CDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCOCC1 ZINC000363135296 159300763 /nfs/dbraw/zinc/30/07/63/159300763.db2.gz SGVMTXMFQHCIIF-LLVKDONJSA-N 1 2 293.323 1.644 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000076419541 177022811 /nfs/dbraw/zinc/02/28/11/177022811.db2.gz NRTSDOMMCFKLPT-ZDUSSCGKSA-N 1 2 293.323 1.184 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000076419541 177022812 /nfs/dbraw/zinc/02/28/12/177022812.db2.gz NRTSDOMMCFKLPT-ZDUSSCGKSA-N 1 2 293.323 1.184 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000433764827 278000140 /nfs/dbraw/zinc/00/01/40/278000140.db2.gz GOWBVGIFEDTYPZ-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000433764827 278000142 /nfs/dbraw/zinc/00/01/42/278000142.db2.gz GOWBVGIFEDTYPZ-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000433764827 278000143 /nfs/dbraw/zinc/00/01/43/278000143.db2.gz GOWBVGIFEDTYPZ-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000433764827 278000145 /nfs/dbraw/zinc/00/01/45/278000145.db2.gz GOWBVGIFEDTYPZ-SECBINFHSA-N 1 2 295.343 1.217 20 5 CDBDLO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000051234595 279180368 /nfs/dbraw/zinc/18/03/68/279180368.db2.gz XCFGEDSFHLMGON-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000051234595 279180369 /nfs/dbraw/zinc/18/03/69/279180369.db2.gz XCFGEDSFHLMGON-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC000174761887 295523683 /nfs/dbraw/zinc/52/36/83/295523683.db2.gz HOADAQWFTNCPJV-UHFFFAOYSA-N 1 2 289.295 1.089 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000357251385 304528775 /nfs/dbraw/zinc/52/87/75/304528775.db2.gz UUNVBHHWZYIXMV-NSHDSACASA-N 1 2 291.307 1.267 20 5 CDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2nn(C)cc2[N+](=O)[O-])[nH+]1 ZINC000566362663 316563175 /nfs/dbraw/zinc/56/31/75/316563175.db2.gz CGAUUXLTUCOAQY-UHFFFAOYSA-N 1 2 292.299 1.025 20 5 CDBDLO Cc1noc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000577742716 317395024 /nfs/dbraw/zinc/39/50/24/317395024.db2.gz DJLVIGOQLKMQEH-MRVPVSSYSA-N 1 2 280.288 1.176 20 5 CDBDLO Cc1noc([C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000577742716 317395025 /nfs/dbraw/zinc/39/50/25/317395025.db2.gz DJLVIGOQLKMQEH-MRVPVSSYSA-N 1 2 280.288 1.176 20 5 CDBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000049573004 523166549 /nfs/dbraw/zinc/16/65/49/523166549.db2.gz BSTYUHOJJHOBEX-UHFFFAOYSA-N 1 2 266.297 1.978 20 5 CDBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000049573004 523166556 /nfs/dbraw/zinc/16/65/56/523166556.db2.gz BSTYUHOJJHOBEX-UHFFFAOYSA-N 1 2 266.297 1.978 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000049235960 524793460 /nfs/dbraw/zinc/79/34/60/524793460.db2.gz JXZSUVKFYBLRPV-MRVPVSSYSA-N 1 2 288.267 1.828 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364828783 527404080 /nfs/dbraw/zinc/40/40/80/527404080.db2.gz KKKKPEHOEFTLOS-TXEJJXNPSA-N 1 2 278.308 1.837 20 5 CDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364828783 527404082 /nfs/dbraw/zinc/40/40/82/527404082.db2.gz KKKKPEHOEFTLOS-TXEJJXNPSA-N 1 2 278.308 1.837 20 5 CDBDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747866553 576887608 /nfs/dbraw/zinc/88/76/08/576887608.db2.gz DDLZREBJNALMKH-ZETCQYMHSA-N 1 2 271.248 1.767 20 5 CDBDLO COCCOC1C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000748039034 576893086 /nfs/dbraw/zinc/89/30/86/576893086.db2.gz IFHFCOQHMXKSPQ-UHFFFAOYSA-N 1 2 280.324 1.750 20 5 CDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1[nH]cc[nH+]1 ZINC000757919034 577060708 /nfs/dbraw/zinc/06/07/08/577060708.db2.gz CFRAOJMATLRFQT-UHFFFAOYSA-N 1 2 289.295 1.314 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000725789709 617851156 /nfs/dbraw/zinc/85/11/56/617851156.db2.gz MVPORTLSMYAAQU-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000725789709 617851159 /nfs/dbraw/zinc/85/11/59/617851159.db2.gz MVPORTLSMYAAQU-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245503 619486866 /nfs/dbraw/zinc/48/68/66/619486866.db2.gz BAMVJGXOQCLNEY-JQWIXIFHSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895245503 619486868 /nfs/dbraw/zinc/48/68/68/619486868.db2.gz BAMVJGXOQCLNEY-JQWIXIFHSA-N 1 2 279.344 1.036 20 5 CDBDLO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC000839826539 693970772 /nfs/dbraw/zinc/97/07/72/693970772.db2.gz LVVIZGCQDJHQKP-BXKDBHETSA-N 1 2 281.287 1.491 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840093847 688807170 /nfs/dbraw/zinc/80/71/70/688807170.db2.gz BHPKZTXOOKCWOY-ZDUSSCGKSA-N 1 2 282.344 1.804 20 5 CDBDLO Cc1nn(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840093847 688807172 /nfs/dbraw/zinc/80/71/72/688807172.db2.gz BHPKZTXOOKCWOY-ZDUSSCGKSA-N 1 2 282.344 1.804 20 5 CDBDLO CC(C)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000778242817 693468283 /nfs/dbraw/zinc/46/82/83/693468283.db2.gz XWDBPANCQJUYQC-HUUCEWRRSA-N 1 2 294.351 1.985 20 5 CDBDLO CC(C)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000778242817 693468290 /nfs/dbraw/zinc/46/82/90/693468290.db2.gz XWDBPANCQJUYQC-HUUCEWRRSA-N 1 2 294.351 1.985 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853594914 694817708 /nfs/dbraw/zinc/81/77/08/694817708.db2.gz WBQOCIGQWKNKTG-CYBMUJFWSA-N 1 2 288.307 1.902 20 5 CDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853594914 694817709 /nfs/dbraw/zinc/81/77/09/694817709.db2.gz WBQOCIGQWKNKTG-CYBMUJFWSA-N 1 2 288.307 1.902 20 5 CDBDLO CC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]C1 ZINC000233973829 1178212808 /nfs/dbraw/zinc/21/28/08/1178212808.db2.gz IXGBOOOEJIMHNJ-CYBMUJFWSA-N 1 2 279.296 1.629 20 5 CDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886094441 723435623 /nfs/dbraw/zinc/43/56/23/723435623.db2.gz RWAHSQNHNDVQGS-GFCCVEGCSA-N 1 2 290.323 1.187 20 5 CDBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886094441 723435624 /nfs/dbraw/zinc/43/56/24/723435624.db2.gz RWAHSQNHNDVQGS-GFCCVEGCSA-N 1 2 290.323 1.187 20 5 CDBDLO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000178970158 723633894 /nfs/dbraw/zinc/63/38/94/723633894.db2.gz SOLIJPBCUMXHDZ-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000178970158 723633898 /nfs/dbraw/zinc/63/38/98/723633898.db2.gz SOLIJPBCUMXHDZ-UHFFFAOYSA-N 1 2 295.314 1.964 20 5 CDBDLO COc1ncc([N+](=O)[O-])cc1NCc1cc[nH+]c(N)c1 ZINC001167616793 897057039 /nfs/dbraw/zinc/05/70/39/897057039.db2.gz AHLPAOZQJRMBDR-UHFFFAOYSA-N 1 2 275.268 1.588 20 5 CDBDLO CN(C)c1cc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC000829837627 936434639 /nfs/dbraw/zinc/43/46/39/936434639.db2.gz IMDZKJJFTISKGZ-UHFFFAOYSA-N 1 2 292.255 1.209 20 5 CDBDLO Nc1[nH+]ccc2c1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 ZINC001150700810 937246211 /nfs/dbraw/zinc/24/62/11/937246211.db2.gz CFILYPKGZIFHKI-UHFFFAOYSA-N 1 2 287.279 1.099 20 5 CDBDLO Cc1c(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000933973319 933884747 /nfs/dbraw/zinc/88/47/47/933884747.db2.gz ANOFDJJFKMRFIT-LSDHHAIUSA-N 1 2 292.335 1.893 20 5 CDBDLO Cc1c(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000933973319 933884751 /nfs/dbraw/zinc/88/47/51/933884751.db2.gz ANOFDJJFKMRFIT-LSDHHAIUSA-N 1 2 292.335 1.893 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000802010264 936020735 /nfs/dbraw/zinc/02/07/35/936020735.db2.gz AXJCHRBSNBSVAE-OLZOCXBDSA-N 1 2 284.287 1.035 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000802010264 936020738 /nfs/dbraw/zinc/02/07/38/936020738.db2.gz AXJCHRBSNBSVAE-OLZOCXBDSA-N 1 2 284.287 1.035 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc([N+](=O)[O-])c1 ZINC001204407473 939763430 /nfs/dbraw/zinc/76/34/30/939763430.db2.gz OWTOGLZBOLYIHP-UHFFFAOYSA-N 1 2 276.252 1.539 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1OC1C[NH+](C(C)C)C1 ZINC001225447691 941861283 /nfs/dbraw/zinc/86/12/83/941861283.db2.gz MCIHIYDKUBMFPN-UHFFFAOYSA-N 1 2 294.307 1.853 20 5 CDBDLO Cc1oncc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001308000481 956457415 /nfs/dbraw/zinc/45/74/15/956457415.db2.gz TZSBVYWHQZFNBY-AWEZNQCLSA-N 1 2 291.307 1.889 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(F)c1 ZINC000590005481 342519009 /nfs/dbraw/zinc/51/90/09/342519009.db2.gz ZPSAIECMVFOMQC-JZYVYDRUSA-N 1 2 284.262 1.543 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(F)c1 ZINC000590005481 342519010 /nfs/dbraw/zinc/51/90/10/342519010.db2.gz ZPSAIECMVFOMQC-JZYVYDRUSA-N 1 2 284.262 1.543 20 5 CDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000590567732 342576084 /nfs/dbraw/zinc/57/60/84/342576084.db2.gz DGKVKDMWZYUBBH-SSDOTTSWSA-N 1 2 291.267 1.673 20 5 CDBDLO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592292658 342683977 /nfs/dbraw/zinc/68/39/77/342683977.db2.gz GYLKEXZZPIGCCL-SNVBAGLBSA-N 1 2 279.296 1.172 20 5 CDBDLO CC1(C)C[NH2+][C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000592558215 342709662 /nfs/dbraw/zinc/70/96/62/342709662.db2.gz BEUNXKJLLYQAKI-SNVBAGLBSA-N 1 2 265.269 1.237 20 5 CDBDLO Cc1noc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594054664 342872983 /nfs/dbraw/zinc/87/29/83/342872983.db2.gz VFWGYFDEYBGKRZ-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594054664 342872984 /nfs/dbraw/zinc/87/29/84/342872984.db2.gz VFWGYFDEYBGKRZ-UHFFFAOYSA-N 1 2 276.296 1.961 20 5 CDBDLO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000436917780 362123311 /nfs/dbraw/zinc/12/33/11/362123311.db2.gz FGQDYPVEZSNZOY-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCC[N@@H+]1C ZINC000436918727 362128676 /nfs/dbraw/zinc/12/86/76/362128676.db2.gz JSTLVZCHRLITNW-JOYOIKCWSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCC[N@H+]1C ZINC000436918727 362128681 /nfs/dbraw/zinc/12/86/81/362128681.db2.gz JSTLVZCHRLITNW-JOYOIKCWSA-N 1 2 293.323 1.513 20 5 CDBDLO C[N@H+](CCN1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092974643 342420961 /nfs/dbraw/zinc/42/09/61/342420961.db2.gz GWWACAMKYLWJSK-UHFFFAOYSA-N 1 2 295.339 1.064 20 5 CDBDLO C[N@@H+](CCN1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092974643 342420962 /nfs/dbraw/zinc/42/09/62/342420962.db2.gz GWWACAMKYLWJSK-UHFFFAOYSA-N 1 2 295.339 1.064 20 5 CDBDLO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597695951 343614442 /nfs/dbraw/zinc/61/44/42/343614442.db2.gz AMVWEDDVBVKNEO-CABZTGNLSA-N 1 2 293.323 1.465 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1COCC[N@H+]1C ZINC000599159741 343970517 /nfs/dbraw/zinc/97/05/17/343970517.db2.gz DBMIKHOOXWHTBM-NSHDSACASA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1COCC[N@@H+]1C ZINC000599159741 343970520 /nfs/dbraw/zinc/97/05/20/343970520.db2.gz DBMIKHOOXWHTBM-NSHDSACASA-N 1 2 266.301 1.041 20 5 CDBDLO CC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602795666 344586749 /nfs/dbraw/zinc/58/67/49/344586749.db2.gz UTJKQQVGDZOFHY-JTQLQIEISA-N 1 2 264.285 1.065 20 5 CDBDLO CC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602795666 344586750 /nfs/dbraw/zinc/58/67/50/344586750.db2.gz UTJKQQVGDZOFHY-JTQLQIEISA-N 1 2 264.285 1.065 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccnc1[N+](=O)[O-] ZINC000159333931 344831496 /nfs/dbraw/zinc/83/14/96/344831496.db2.gz IDCOYADZBAAKNO-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO O=C(NCCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344240762 362558823 /nfs/dbraw/zinc/55/88/23/362558823.db2.gz MQLCCBWJVIBLRI-UHFFFAOYSA-N 1 2 292.270 1.751 20 5 CDBDLO CCCC[N@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091950222 347307371 /nfs/dbraw/zinc/30/73/71/347307371.db2.gz FCQIEHIOTANTNE-UHFFFAOYSA-N 1 2 281.312 1.388 20 5 CDBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091950222 347307373 /nfs/dbraw/zinc/30/73/73/347307373.db2.gz FCQIEHIOTANTNE-UHFFFAOYSA-N 1 2 281.312 1.388 20 5 CDBDLO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000457232209 365879502 /nfs/dbraw/zinc/87/95/02/365879502.db2.gz HNWGQZQFCLVOTK-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)C ZINC000026882464 348661209 /nfs/dbraw/zinc/66/12/09/348661209.db2.gz BIGNFONBIVGTQA-UHFFFAOYSA-N 1 2 281.312 1.123 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)C ZINC000026882464 348661214 /nfs/dbraw/zinc/66/12/14/348661214.db2.gz BIGNFONBIVGTQA-UHFFFAOYSA-N 1 2 281.312 1.123 20 5 CDBDLO CNC(=O)c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000108876760 186234568 /nfs/dbraw/zinc/23/45/68/186234568.db2.gz TYAJSSNQRUNINO-UHFFFAOYSA-N 1 2 289.295 1.263 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000156479024 188264608 /nfs/dbraw/zinc/26/46/08/188264608.db2.gz PRROKPTUIIRYAT-CYBMUJFWSA-N 1 2 293.323 1.184 20 5 CDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000156479024 188264609 /nfs/dbraw/zinc/26/46/09/188264609.db2.gz PRROKPTUIIRYAT-CYBMUJFWSA-N 1 2 293.323 1.184 20 5 CDBDLO CC(=O)NCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413046242 363253022 /nfs/dbraw/zinc/25/30/22/363253022.db2.gz NNVDPRUBGVSAEV-UHFFFAOYSA-N 1 2 288.307 1.503 20 5 CDBDLO Cc1ccn2cc(CNc3c([N+](=O)[O-])ncn3C)[nH+]c2c1 ZINC000341257125 357210411 /nfs/dbraw/zinc/21/04/11/357210411.db2.gz ICLRZLDQKRBTGC-UHFFFAOYSA-N 1 2 286.295 1.897 20 5 CDBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000566697984 358351876 /nfs/dbraw/zinc/35/18/76/358351876.db2.gz BOGHIRQIRAIVSM-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000566697984 358351879 /nfs/dbraw/zinc/35/18/79/358351879.db2.gz BOGHIRQIRAIVSM-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000363498755 360235681 /nfs/dbraw/zinc/23/56/81/360235681.db2.gz IAUCTDGRPOAGLC-UHFFFAOYSA-N 1 2 294.355 1.863 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000363498755 360235684 /nfs/dbraw/zinc/23/56/84/360235684.db2.gz IAUCTDGRPOAGLC-UHFFFAOYSA-N 1 2 294.355 1.863 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(n2cc[nH+]c2)C1 ZINC000548129206 360310779 /nfs/dbraw/zinc/31/07/79/360310779.db2.gz VRGRXTQVMBOIJK-UHFFFAOYSA-N 1 2 288.263 1.194 20 5 CDBDLO Cc1csc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000348098459 360396946 /nfs/dbraw/zinc/39/69/46/360396946.db2.gz SSLAWWFGKWBGDN-QMMMGPOBSA-N 1 2 281.341 1.944 20 5 CDBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC000414287912 241140508 /nfs/dbraw/zinc/14/05/08/241140508.db2.gz LAJPISCYPBUXOD-UHFFFAOYSA-N 1 2 260.297 1.927 20 5 CDBDLO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000414641341 241292201 /nfs/dbraw/zinc/29/22/01/241292201.db2.gz IEMBGBURLLELKZ-SSDOTTSWSA-N 1 2 278.268 1.501 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+](CC2OCCO2)C2CC2)c1 ZINC000272367788 367711797 /nfs/dbraw/zinc/71/17/97/367711797.db2.gz ZOZOKOVXZVMRJD-UHFFFAOYSA-N 1 2 278.308 1.932 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+](CC2OCCO2)C2CC2)c1 ZINC000272367788 367711825 /nfs/dbraw/zinc/71/18/25/367711825.db2.gz ZOZOKOVXZVMRJD-UHFFFAOYSA-N 1 2 278.308 1.932 20 5 CDBDLO COc1cc(C[N@@H+]2CCCOCC2)c([N+](=O)[O-])cc1OC ZINC000376503947 374561680 /nfs/dbraw/zinc/56/16/80/374561680.db2.gz FEXGJAVOFTUZJO-UHFFFAOYSA-N 1 2 296.323 1.834 20 5 CDBDLO COc1cc(C[N@H+]2CCCOCC2)c([N+](=O)[O-])cc1OC ZINC000376503947 374561687 /nfs/dbraw/zinc/56/16/87/374561687.db2.gz FEXGJAVOFTUZJO-UHFFFAOYSA-N 1 2 296.323 1.834 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378514967 374647507 /nfs/dbraw/zinc/64/75/07/374647507.db2.gz CQMPWJFTRLZXLG-QMMMGPOBSA-N 1 2 276.252 1.888 20 5 CDBDLO COc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000279857214 374969181 /nfs/dbraw/zinc/96/91/81/374969181.db2.gz SGWUPDXUCQOOJZ-CYBMUJFWSA-N 1 2 298.314 1.945 20 5 CDBDLO COc1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000279857214 374969189 /nfs/dbraw/zinc/96/91/89/374969189.db2.gz SGWUPDXUCQOOJZ-CYBMUJFWSA-N 1 2 298.314 1.945 20 5 CDBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279809430 374963730 /nfs/dbraw/zinc/96/37/30/374963730.db2.gz PTONCVKGAIKCLP-GFCCVEGCSA-N 1 2 293.323 1.236 20 5 CDBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279809430 374963737 /nfs/dbraw/zinc/96/37/37/374963737.db2.gz PTONCVKGAIKCLP-GFCCVEGCSA-N 1 2 293.323 1.236 20 5 CDBDLO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])s1 ZINC000279940950 374975618 /nfs/dbraw/zinc/97/56/18/374975618.db2.gz HNRHECNFGJCFJL-UHFFFAOYSA-N 1 2 281.337 1.648 20 5 CDBDLO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])s1 ZINC000279940950 374975624 /nfs/dbraw/zinc/97/56/24/374975624.db2.gz HNRHECNFGJCFJL-UHFFFAOYSA-N 1 2 281.337 1.648 20 5 CDBDLO C[C@H]1[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048367 375674672 /nfs/dbraw/zinc/67/46/72/375674672.db2.gz ZSMKCSHJXXDZKD-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@H]1[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048367 375674680 /nfs/dbraw/zinc/67/46/80/375674680.db2.gz ZSMKCSHJXXDZKD-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262020609 190047284 /nfs/dbraw/zinc/04/72/84/190047284.db2.gz CXFNPHAAOSCTSK-WDEREUQCSA-N 1 2 293.323 1.548 20 5 CDBDLO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1[nH+]cc(Cl)n1C ZINC000294263786 376622873 /nfs/dbraw/zinc/62/28/73/376622873.db2.gz RGAMFVBIMLWEFY-UHFFFAOYSA-N 1 2 282.687 1.500 20 5 CDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1[nH]cc[nH+]1 ZINC000140696533 376998837 /nfs/dbraw/zinc/99/88/37/376998837.db2.gz RNQQMZGMGUJHBA-SSDOTTSWSA-N 1 2 263.257 1.527 20 5 CDBDLO CNC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000267055366 190300136 /nfs/dbraw/zinc/30/01/36/190300136.db2.gz KUGOYRDBPAPCPG-UHFFFAOYSA-N 1 2 292.339 1.360 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000111214220 285125603 /nfs/dbraw/zinc/12/56/03/285125603.db2.gz OCNMDFZRKRRJCM-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000507502353 254102305 /nfs/dbraw/zinc/10/23/05/254102305.db2.gz RKSPSUNVOALEEB-UHFFFAOYSA-N 1 2 276.256 1.031 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000286000462 390189407 /nfs/dbraw/zinc/18/94/07/390189407.db2.gz NPIWRPZLIWGLKU-VIFPVBQESA-N 1 2 290.283 1.408 20 5 CDBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc[nH+]1 ZINC000183245372 391172830 /nfs/dbraw/zinc/17/28/30/391172830.db2.gz SPEAINLICRYPES-UHFFFAOYSA-N 1 2 273.252 1.528 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216412722 391199507 /nfs/dbraw/zinc/19/95/07/391199507.db2.gz PQPMQQXKXYKKOH-SREVYHEPSA-N 1 2 286.291 1.990 20 5 CDBDLO CN(C(=O)c1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])nc1 ZINC000439289436 391577163 /nfs/dbraw/zinc/57/71/63/391577163.db2.gz LHFOSWOIZDOHOO-UHFFFAOYSA-N 1 2 297.274 1.914 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000348220854 391830482 /nfs/dbraw/zinc/83/04/82/391830482.db2.gz JHANMCHVKKYBFD-UHFFFAOYSA-N 1 2 289.295 1.328 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC(n2cc[nH+]c2)C1 ZINC000523699932 392891897 /nfs/dbraw/zinc/89/18/97/392891897.db2.gz ANZNDVJXVBIGCU-UHFFFAOYSA-N 1 2 272.264 1.488 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000343286620 152102764 /nfs/dbraw/zinc/10/27/64/152102764.db2.gz MZSNMNVVBLWEQY-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO C[C@H]1COCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000374381113 160280396 /nfs/dbraw/zinc/28/03/96/160280396.db2.gz QYKHMRURZRVUHI-LLVKDONJSA-N 1 2 293.323 1.502 20 5 CDBDLO C[C@H]1COCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000374381113 160280398 /nfs/dbraw/zinc/28/03/98/160280398.db2.gz QYKHMRURZRVUHI-LLVKDONJSA-N 1 2 293.323 1.502 20 5 CDBDLO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357063678 279141612 /nfs/dbraw/zinc/14/16/12/279141612.db2.gz GKVBYAWNGMZBGO-SNVBAGLBSA-N 1 2 281.312 1.404 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCC1(F)F ZINC000352018602 288208436 /nfs/dbraw/zinc/20/84/36/288208436.db2.gz RFAPWDOWLCMNDH-MRVPVSSYSA-N 1 2 274.271 1.805 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCC1(F)F ZINC000352018602 288208439 /nfs/dbraw/zinc/20/84/39/288208439.db2.gz RFAPWDOWLCMNDH-MRVPVSSYSA-N 1 2 274.271 1.805 20 5 CDBDLO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346464986 280258217 /nfs/dbraw/zinc/25/82/17/280258217.db2.gz VFZICONGZBXJJC-CYBMUJFWSA-N 1 2 275.308 1.401 20 5 CDBDLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346464986 280258219 /nfs/dbraw/zinc/25/82/19/280258219.db2.gz VFZICONGZBXJJC-CYBMUJFWSA-N 1 2 275.308 1.401 20 5 CDBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000574581576 295022682 /nfs/dbraw/zinc/02/26/82/295022682.db2.gz OWBLULKBYIZJCF-LBPRGKRZSA-N 1 2 281.337 1.511 20 5 CDBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000574581576 295022683 /nfs/dbraw/zinc/02/26/83/295022683.db2.gz OWBLULKBYIZJCF-LBPRGKRZSA-N 1 2 281.337 1.511 20 5 CDBDLO Nc1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290789490 295354229 /nfs/dbraw/zinc/35/42/29/295354229.db2.gz XGYBIKUVZDKUSL-UHFFFAOYSA-N 1 2 259.269 1.394 20 5 CDBDLO CNc1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000388468092 323791049 /nfs/dbraw/zinc/79/10/49/323791049.db2.gz KSGLGUKQYBWVPC-UHFFFAOYSA-N 1 2 289.295 1.300 20 5 CDBDLO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000233972766 522302094 /nfs/dbraw/zinc/30/20/94/522302094.db2.gz BPJZYJZNPHHJPW-RDDDGLTNSA-N 1 2 267.285 1.612 20 5 CDBDLO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235158174 525013949 /nfs/dbraw/zinc/01/39/49/525013949.db2.gz UPAXNRLPAOHTOZ-NKWVEPMBSA-N 1 2 253.258 1.222 20 5 CDBDLO C[C@H]1OCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000139240179 525028845 /nfs/dbraw/zinc/02/88/45/525028845.db2.gz VGVHHTHXSWEFLF-VHSXEESVSA-N 1 2 293.323 1.303 20 5 CDBDLO C[C@H]1OCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000139240179 525028857 /nfs/dbraw/zinc/02/88/57/525028857.db2.gz VGVHHTHXSWEFLF-VHSXEESVSA-N 1 2 293.323 1.303 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338586063 527348326 /nfs/dbraw/zinc/34/83/26/527348326.db2.gz XGHXKHAYMNCNQN-GFCCVEGCSA-N 1 2 254.261 1.501 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338586063 527348332 /nfs/dbraw/zinc/34/83/32/527348332.db2.gz XGHXKHAYMNCNQN-GFCCVEGCSA-N 1 2 254.261 1.501 20 5 CDBDLO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000103204146 536370529 /nfs/dbraw/zinc/37/05/29/536370529.db2.gz IIZYFXXZDQPJDU-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000895800616 619850893 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CDBDLO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000049947558 424454584 /nfs/dbraw/zinc/45/45/84/424454584.db2.gz ZFDQESSSMUILIO-UHFFFAOYSA-N 1 2 266.297 1.632 20 5 CDBDLO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000049947558 424454591 /nfs/dbraw/zinc/45/45/91/424454591.db2.gz ZFDQESSSMUILIO-UHFFFAOYSA-N 1 2 266.297 1.632 20 5 CDBDLO CO[C@H](C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621445 277324185 /nfs/dbraw/zinc/32/41/85/277324185.db2.gz PJXIKGIYYFFZPT-SNVBAGLBSA-N 1 2 266.297 1.824 20 5 CDBDLO CO[C@H](C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621445 277324187 /nfs/dbraw/zinc/32/41/87/277324187.db2.gz PJXIKGIYYFFZPT-SNVBAGLBSA-N 1 2 266.297 1.824 20 5 CDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000565169579 293540385 /nfs/dbraw/zinc/54/03/85/293540385.db2.gz FNXUUZRTYFYPAA-SNVBAGLBSA-N 1 2 263.297 1.874 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCn1cc[nH+]c1 ZINC000192646053 323517698 /nfs/dbraw/zinc/51/76/98/323517698.db2.gz KNRQPHCBHOSCFK-UHFFFAOYSA-N 1 2 288.307 1.920 20 5 CDBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccn[nH]2)n1 ZINC000578832501 324031661 /nfs/dbraw/zinc/03/16/61/324031661.db2.gz SQPXTJBXQIYIQQ-NEPJUHHUSA-N 1 2 290.327 1.788 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000771870660 575630313 /nfs/dbraw/zinc/63/03/13/575630313.db2.gz SWIWVZJEVMVBGU-UHFFFAOYSA-N 1 2 291.263 1.657 20 5 CDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000763294836 576729867 /nfs/dbraw/zinc/72/98/67/576729867.db2.gz WOUOHTDXCUEXGX-UHFFFAOYSA-N 1 2 290.279 1.621 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000748346483 576906544 /nfs/dbraw/zinc/90/65/44/576906544.db2.gz QXODEZVDBKDLRL-MRVPVSSYSA-N 1 2 269.326 1.432 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000748346483 576906545 /nfs/dbraw/zinc/90/65/45/576906545.db2.gz QXODEZVDBKDLRL-MRVPVSSYSA-N 1 2 269.326 1.432 20 5 CDBDLO COCC1(C)C[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894839695 619090611 /nfs/dbraw/zinc/09/06/11/619090611.db2.gz GZVBKACTWCTECS-UHFFFAOYSA-N 1 2 296.323 1.777 20 5 CDBDLO COC(=O)C[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353153 1162340984 /nfs/dbraw/zinc/34/09/84/1162340984.db2.gz WUBAKDNTOUCJMZ-SNVBAGLBSA-N 1 2 296.323 1.639 20 5 CDBDLO COC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353153 1162340987 /nfs/dbraw/zinc/34/09/87/1162340987.db2.gz WUBAKDNTOUCJMZ-SNVBAGLBSA-N 1 2 296.323 1.639 20 5 CDBDLO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001575107880 1171114030 /nfs/dbraw/zinc/11/40/30/1171114030.db2.gz LCCKHAAHVGVGES-NSHDSACASA-N 1 2 281.312 1.404 20 5 CDBDLO Nc1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000786560338 728380933 /nfs/dbraw/zinc/38/09/33/728380933.db2.gz LGYGPNPXGXVFDL-UHFFFAOYSA-N 1 2 261.285 1.876 20 5 CDBDLO COc1ccc(C[N@H+](C)CC[N+](=O)[O-])c(OC)c1 ZINC000798193623 728576043 /nfs/dbraw/zinc/57/60/43/728576043.db2.gz MWMBWDVVMFITOI-UHFFFAOYSA-N 1 2 254.286 1.412 20 5 CDBDLO COc1ccc(C[N@@H+](C)CC[N+](=O)[O-])c(OC)c1 ZINC000798193623 728576053 /nfs/dbraw/zinc/57/60/53/728576053.db2.gz MWMBWDVVMFITOI-UHFFFAOYSA-N 1 2 254.286 1.412 20 5 CDBDLO Cc1nn(C[N@@H+](C)CC2=CCSC2)c(C)c1[N+](=O)[O-] ZINC000853618349 729264057 /nfs/dbraw/zinc/26/40/57/729264057.db2.gz BQFFIRZMBQQHRD-UHFFFAOYSA-N 1 2 282.369 1.971 20 5 CDBDLO Cc1nn(C[N@H+](C)CC2=CCSC2)c(C)c1[N+](=O)[O-] ZINC000853618349 729264059 /nfs/dbraw/zinc/26/40/59/729264059.db2.gz BQFFIRZMBQQHRD-UHFFFAOYSA-N 1 2 282.369 1.971 20 5 CDBDLO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(F)(F)CO ZINC000866342571 729296173 /nfs/dbraw/zinc/29/61/73/729296173.db2.gz WRYMCUBPQRVKPR-QMMMGPOBSA-N 1 2 292.257 1.882 20 5 CDBDLO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167786090 900699911 /nfs/dbraw/zinc/69/99/11/900699911.db2.gz JBFCESQPXMWDGD-UHFFFAOYSA-N 1 2 289.295 1.191 20 5 CDBDLO CCN(c1ncc(OC)cc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455927 938494453 /nfs/dbraw/zinc/49/44/53/938494453.db2.gz XXTJCVWYXFEOKY-UHFFFAOYSA-N 1 2 266.301 1.139 20 5 CDBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCC[NH2+]C1 ZINC001218284379 941051467 /nfs/dbraw/zinc/05/14/67/941051467.db2.gz QRRLJIIHIWZIBY-QMMMGPOBSA-N 1 2 254.242 1.137 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001228921965 942394585 /nfs/dbraw/zinc/39/45/85/942394585.db2.gz SEEINRAYLLWHRM-LBPRGKRZSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001228921965 942394590 /nfs/dbraw/zinc/39/45/90/942394590.db2.gz SEEINRAYLLWHRM-LBPRGKRZSA-N 1 2 266.297 1.613 20 5 CDBDLO COC(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465986 947451265 /nfs/dbraw/zinc/45/12/65/947451265.db2.gz SUVCHAJUTHSDMK-UHFFFAOYSA-N 1 2 293.323 1.326 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001254553806 947524705 /nfs/dbraw/zinc/52/47/05/947524705.db2.gz ZNXCCRDDBDUNNF-VHRBIJSZSA-N 1 2 282.315 1.931 20 5 CDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001254553806 947524714 /nfs/dbraw/zinc/52/47/14/947524714.db2.gz ZNXCCRDDBDUNNF-VHRBIJSZSA-N 1 2 282.315 1.931 20 5 CDBDLO Cc1cccc(C)c1NC(=O)C[NH2+]CC[N+](=O)[O-] ZINC001336732919 960518064 /nfs/dbraw/zinc/51/80/64/960518064.db2.gz IGFODEOMDWWUPB-UHFFFAOYSA-N 1 2 251.286 1.108 20 5 CDBDLO C[C@@H](CNc1cccnc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000609111632 342090814 /nfs/dbraw/zinc/09/08/14/342090814.db2.gz SGCWIQVIDDYLSV-JTQLQIEISA-N 1 2 261.285 1.935 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1Cc1ccc(N(C)C)[nH+]c1 ZINC000600520605 342230070 /nfs/dbraw/zinc/23/00/70/342230070.db2.gz KORQFWXNAKDDNS-UHFFFAOYSA-N 1 2 261.285 1.609 20 5 CDBDLO COCCCOCC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595423769 343056008 /nfs/dbraw/zinc/05/60/08/343056008.db2.gz SXLARWPYQLJCQN-UHFFFAOYSA-N 1 2 287.316 1.376 20 5 CDBDLO COCCCOCC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595423769 343056010 /nfs/dbraw/zinc/05/60/10/343056010.db2.gz SXLARWPYQLJCQN-UHFFFAOYSA-N 1 2 287.316 1.376 20 5 CDBDLO Cc1noc(C[NH2+][C@@H](C)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000595428382 343057491 /nfs/dbraw/zinc/05/74/91/343057491.db2.gz IPSQKASZIYUTGJ-ZETCQYMHSA-N 1 2 265.273 1.476 20 5 CDBDLO CN1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000265397963 362244891 /nfs/dbraw/zinc/24/48/91/362244891.db2.gz XAUXDQZVVPKKFU-LBPRGKRZSA-N 1 2 263.297 1.257 20 5 CDBDLO CN1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000265397963 362244896 /nfs/dbraw/zinc/24/48/96/362244896.db2.gz XAUXDQZVVPKKFU-LBPRGKRZSA-N 1 2 263.297 1.257 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000617196049 344995749 /nfs/dbraw/zinc/99/57/49/344995749.db2.gz FVUIFCXUULBHSE-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000617196049 344995752 /nfs/dbraw/zinc/99/57/52/344995752.db2.gz FVUIFCXUULBHSE-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413128 346780175 /nfs/dbraw/zinc/78/01/75/346780175.db2.gz VDFCSZLQRYHCFJ-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413128 346780177 /nfs/dbraw/zinc/78/01/77/346780177.db2.gz VDFCSZLQRYHCFJ-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO CCc1nn(C)c(NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000091560654 180191689 /nfs/dbraw/zinc/19/16/89/180191689.db2.gz XLLPNIAREQKKSY-UHFFFAOYSA-N 1 2 264.289 1.236 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155081933 188181582 /nfs/dbraw/zinc/18/15/82/188181582.db2.gz PMDFACVFPVZDQL-UHFFFAOYSA-N 1 2 288.307 1.954 20 5 CDBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000037016411 363314076 /nfs/dbraw/zinc/31/40/76/363314076.db2.gz IPAUFKBKZDAJSR-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073417998 356936628 /nfs/dbraw/zinc/93/66/28/356936628.db2.gz RPUVCVUKISLYOU-UHFFFAOYSA-N 1 2 295.339 1.618 20 5 CDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189821551 358041713 /nfs/dbraw/zinc/04/17/13/358041713.db2.gz OZPROVIGOSBYQY-AWEZNQCLSA-N 1 2 291.351 1.941 20 5 CDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189821551 358041714 /nfs/dbraw/zinc/04/17/14/358041714.db2.gz OZPROVIGOSBYQY-AWEZNQCLSA-N 1 2 291.351 1.941 20 5 CDBDLO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194589343 358381967 /nfs/dbraw/zinc/38/19/67/358381967.db2.gz XOHJEFAAISTFDM-UHFFFAOYSA-N 1 2 283.284 1.971 20 5 CDBDLO CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194589343 358381969 /nfs/dbraw/zinc/38/19/69/358381969.db2.gz XOHJEFAAISTFDM-UHFFFAOYSA-N 1 2 283.284 1.971 20 5 CDBDLO Cn1cc[nH+]c1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342064577 358907843 /nfs/dbraw/zinc/90/78/43/358907843.db2.gz QHWINJHMUZAASF-UHFFFAOYSA-N 1 2 275.268 1.039 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000048336667 359202024 /nfs/dbraw/zinc/20/20/24/359202024.db2.gz IIOJYKAOCGFERB-JTQLQIEISA-N 1 2 266.301 1.122 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1[nH]ncc1C ZINC000289618238 359635967 /nfs/dbraw/zinc/63/59/67/359635967.db2.gz WDBRGQRHHGXETN-UHFFFAOYSA-N 1 2 276.296 1.925 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1n[nH]cc1C ZINC000289618238 359635975 /nfs/dbraw/zinc/63/59/75/359635975.db2.gz WDBRGQRHHGXETN-UHFFFAOYSA-N 1 2 276.296 1.925 20 5 CDBDLO NC(=O)CC1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000297421122 200183718 /nfs/dbraw/zinc/18/37/18/200183718.db2.gz NLCNHIIEUIQGNZ-UHFFFAOYSA-N 1 2 283.715 1.555 20 5 CDBDLO Cn1nccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179803448 189221391 /nfs/dbraw/zinc/22/13/91/189221391.db2.gz NKRZVAAMXXGCLP-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cn1nccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179803448 189221392 /nfs/dbraw/zinc/22/13/92/189221392.db2.gz NKRZVAAMXXGCLP-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cc1nn(Cc2[nH+]ccn2C(F)F)cc1[N+](=O)[O-] ZINC000272407178 367722770 /nfs/dbraw/zinc/72/27/70/367722770.db2.gz YJLVAARXTVAILE-UHFFFAOYSA-N 1 2 257.200 1.740 20 5 CDBDLO O=[N+]([O-])c1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000356324926 368631001 /nfs/dbraw/zinc/63/10/01/368631001.db2.gz VOTQECRDBMUPJE-UHFFFAOYSA-N 1 2 259.265 1.516 20 5 CDBDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330700671 203131497 /nfs/dbraw/zinc/13/14/97/203131497.db2.gz HARCUMLDNXHRMW-LBPRGKRZSA-N 1 2 295.314 1.834 20 5 CDBDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330700671 203131500 /nfs/dbraw/zinc/13/15/00/203131500.db2.gz HARCUMLDNXHRMW-LBPRGKRZSA-N 1 2 295.314 1.834 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420950644 374306528 /nfs/dbraw/zinc/30/65/28/374306528.db2.gz GMMKASKOWQGSND-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420950644 374306544 /nfs/dbraw/zinc/30/65/44/374306544.db2.gz GMMKASKOWQGSND-LLVKDONJSA-N 1 2 297.742 1.959 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000369135110 374348223 /nfs/dbraw/zinc/34/82/23/374348223.db2.gz SQKOADDGSKLROT-DOMZBBRYSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000369135110 374348232 /nfs/dbraw/zinc/34/82/32/374348232.db2.gz SQKOADDGSKLROT-DOMZBBRYSA-N 1 2 292.335 1.975 20 5 CDBDLO CCOC(=O)C(CC)(CC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000429297968 374578401 /nfs/dbraw/zinc/57/84/01/374578401.db2.gz CWSDSIFIMUOWGJ-UHFFFAOYSA-N 1 2 298.343 1.503 20 5 CDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000378110146 374630846 /nfs/dbraw/zinc/63/08/46/374630846.db2.gz KHRVDELEOILBOD-UHFFFAOYSA-N 1 2 290.254 1.586 20 5 CDBDLO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000019439393 374734762 /nfs/dbraw/zinc/73/47/62/374734762.db2.gz CLSZRANDQFHVRX-SECBINFHSA-N 1 2 267.310 1.504 20 5 CDBDLO C[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131521177 375278251 /nfs/dbraw/zinc/27/82/51/375278251.db2.gz NIYKAZAVQFYNLP-UHFFFAOYSA-N 1 2 267.260 1.122 20 5 CDBDLO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357063677 375880236 /nfs/dbraw/zinc/88/02/36/375880236.db2.gz GKVBYAWNGMZBGO-JTQLQIEISA-N 1 2 281.312 1.404 20 5 CDBDLO CC[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000357680295 375927005 /nfs/dbraw/zinc/92/70/05/375927005.db2.gz LRIYLEXZYWHNOM-QMMMGPOBSA-N 1 2 290.283 1.375 20 5 CDBDLO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262318521 190053204 /nfs/dbraw/zinc/05/32/04/190053204.db2.gz DVOPDZHNKNHZRC-SCZZXKLOSA-N 1 2 279.296 1.171 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ncsc3C2)c1 ZINC000445858722 250238437 /nfs/dbraw/zinc/23/84/37/250238437.db2.gz YIRRVFTXAFOILG-UHFFFAOYSA-N 1 2 279.325 1.306 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ncsc3C2)c1 ZINC000445858722 250238439 /nfs/dbraw/zinc/23/84/39/250238439.db2.gz YIRRVFTXAFOILG-UHFFFAOYSA-N 1 2 279.325 1.306 20 5 CDBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000492415746 253214893 /nfs/dbraw/zinc/21/48/93/253214893.db2.gz HJVCMLXOANYVBW-LBPRGKRZSA-N 1 2 293.323 1.443 20 5 CDBDLO CCOc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000492415746 253214894 /nfs/dbraw/zinc/21/48/94/253214894.db2.gz HJVCMLXOANYVBW-LBPRGKRZSA-N 1 2 293.323 1.443 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853647 285160622 /nfs/dbraw/zinc/16/06/22/285160622.db2.gz RCDREBWEKQMGOH-UHFFFAOYSA-N 1 2 258.281 1.876 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000118853647 285160626 /nfs/dbraw/zinc/16/06/26/285160626.db2.gz RCDREBWEKQMGOH-UHFFFAOYSA-N 1 2 258.281 1.876 20 5 CDBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1F ZINC000413319380 391198758 /nfs/dbraw/zinc/19/87/58/391198758.db2.gz UIRRQSHFEJPOCY-UHFFFAOYSA-N 1 2 265.248 1.957 20 5 CDBDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294057122 391324212 /nfs/dbraw/zinc/32/42/12/391324212.db2.gz XLUHSQPIFVDWAN-CYBMUJFWSA-N 1 2 296.298 1.928 20 5 CDBDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000152677709 392435743 /nfs/dbraw/zinc/43/57/43/392435743.db2.gz HFDMZMQYNCQUCJ-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000523078144 392882350 /nfs/dbraw/zinc/88/23/50/392882350.db2.gz IVMDLOSCYVINJR-NSHDSACASA-N 1 2 265.313 1.727 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000523078144 392882354 /nfs/dbraw/zinc/88/23/54/392882354.db2.gz IVMDLOSCYVINJR-NSHDSACASA-N 1 2 265.313 1.727 20 5 CDBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(C)[nH+]1 ZINC000183886768 397614237 /nfs/dbraw/zinc/61/42/37/397614237.db2.gz OGUZYELWXPLZAX-UHFFFAOYSA-N 1 2 287.279 1.836 20 5 CDBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000350001354 154304301 /nfs/dbraw/zinc/30/43/01/154304301.db2.gz KFAORJJYJUOVHV-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)CCCO ZINC000119096023 279354982 /nfs/dbraw/zinc/35/49/82/279354982.db2.gz QGSABJXSZPKSHU-UHFFFAOYSA-N 1 2 288.731 1.425 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)CCCO ZINC000119096023 279354985 /nfs/dbraw/zinc/35/49/85/279354985.db2.gz QGSABJXSZPKSHU-UHFFFAOYSA-N 1 2 288.731 1.425 20 5 CDBDLO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc[nH+]1 ZINC000127220978 279524238 /nfs/dbraw/zinc/52/42/38/279524238.db2.gz IVYCSFDNIAHVRG-UHFFFAOYSA-N 1 2 261.241 1.133 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000575909320 317036832 /nfs/dbraw/zinc/03/68/32/317036832.db2.gz ABTADKNYOUXZEI-MRVPVSSYSA-N 1 2 290.279 1.818 20 5 CDBDLO [NH3+][C@@H](CC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000382256546 323637511 /nfs/dbraw/zinc/63/75/11/323637511.db2.gz BORXRRNQHWRKAL-LURJTMIESA-N 1 2 275.211 1.221 20 5 CDBDLO O=[N+]([O-])c1ccc(CC[NH2+]CC(F)(F)CO)cc1 ZINC000228757792 483019217 /nfs/dbraw/zinc/01/92/17/483019217.db2.gz LKJIABRGJMXCGS-UHFFFAOYSA-N 1 2 260.240 1.355 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761080662 576544710 /nfs/dbraw/zinc/54/47/10/576544710.db2.gz VCQDYLNMKLOCOV-GFCCVEGCSA-N 1 2 279.340 1.610 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761080662 576544711 /nfs/dbraw/zinc/54/47/11/576544711.db2.gz VCQDYLNMKLOCOV-GFCCVEGCSA-N 1 2 279.340 1.610 20 5 CDBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774882901 575248331 /nfs/dbraw/zinc/24/83/31/575248331.db2.gz FDGCTBDFQCBXGK-UHFFFAOYSA-N 1 2 291.267 1.858 20 5 CDBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774882901 575248333 /nfs/dbraw/zinc/24/83/33/575248333.db2.gz FDGCTBDFQCBXGK-UHFFFAOYSA-N 1 2 291.267 1.858 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)OCCn1cc[nH+]c1 ZINC000771970797 575643438 /nfs/dbraw/zinc/64/34/38/575643438.db2.gz ANINQQJTYXXTOA-UHFFFAOYSA-N 1 2 275.264 1.577 20 5 CDBDLO Cc1nc(-n2c[nH+]c(CCCO)c2)ccc1[N+](=O)[O-] ZINC000760460790 576485930 /nfs/dbraw/zinc/48/59/30/576485930.db2.gz DAZQIYCVUPWGJS-UHFFFAOYSA-N 1 2 262.269 1.409 20 5 CDBDLO Cc1ccnc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895245591 619486303 /nfs/dbraw/zinc/48/63/03/619486303.db2.gz GOCYUCJXUPAEIB-NWDGAFQWSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccnc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895245591 619486306 /nfs/dbraw/zinc/48/63/06/619486306.db2.gz GOCYUCJXUPAEIB-NWDGAFQWSA-N 1 2 293.371 1.344 20 5 CDBDLO CN(C)c1cc[nH+]c(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000895464959 619680478 /nfs/dbraw/zinc/68/04/78/619680478.db2.gz FSNBWPNCRXYIQW-UHFFFAOYSA-N 1 2 274.284 1.458 20 5 CDBDLO COc1nc(NCCCn2cc[nH+]c2)nc(C)c1[N+](=O)[O-] ZINC001161682068 1160172668 /nfs/dbraw/zinc/17/26/68/1160172668.db2.gz GZXWENUOGHGSID-UHFFFAOYSA-N 1 2 292.299 1.401 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001155196448 1167103118 /nfs/dbraw/zinc/10/31/18/1167103118.db2.gz BWTQOCDKAILHNV-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001155196448 1167103121 /nfs/dbraw/zinc/10/31/21/1167103121.db2.gz BWTQOCDKAILHNV-SECBINFHSA-N 1 2 291.311 1.214 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(N)=O ZINC000876566931 730531742 /nfs/dbraw/zinc/53/17/42/730531742.db2.gz XTRKUWHGRXYWMB-UHFFFAOYSA-N 1 2 251.286 1.129 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(N)=O ZINC000876566931 730531744 /nfs/dbraw/zinc/53/17/44/730531744.db2.gz XTRKUWHGRXYWMB-UHFFFAOYSA-N 1 2 251.286 1.129 20 5 CDBDLO Cc1c(C[NH2+][C@@H](C)c2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000715884433 731466920 /nfs/dbraw/zinc/46/69/20/731466920.db2.gz YXIYDPPMDASALD-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO Cc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc[nH+]1 ZINC000823277650 731617309 /nfs/dbraw/zinc/61/73/09/731617309.db2.gz XDQBIROTBRPDOW-UHFFFAOYSA-N 1 2 251.286 1.586 20 5 CDBDLO O=[N+]([O-])CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000930482543 731794081 /nfs/dbraw/zinc/79/40/81/731794081.db2.gz OANZYMFSYDAJHP-NWDGAFQWSA-N 1 2 282.365 1.764 20 5 CDBDLO O=[N+]([O-])CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000930482543 731794088 /nfs/dbraw/zinc/79/40/88/731794088.db2.gz OANZYMFSYDAJHP-NWDGAFQWSA-N 1 2 282.365 1.764 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)[C@H]1C ZINC001173227109 912323811 /nfs/dbraw/zinc/32/38/11/912323811.db2.gz ODDQLTYXPGDAQE-GHMZBOCLSA-N 1 2 277.324 1.346 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)[C@H]1C ZINC001173227109 912323818 /nfs/dbraw/zinc/32/38/18/912323818.db2.gz ODDQLTYXPGDAQE-GHMZBOCLSA-N 1 2 277.324 1.346 20 5 CDBDLO O=C1OCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895738 912053095 /nfs/dbraw/zinc/05/30/95/912053095.db2.gz ILSHLRFQGIWFPE-JSGCOSHPSA-N 1 2 290.319 1.747 20 5 CDBDLO CCOc1cccc(C[N@H+](CCO)CC[N+](=O)[O-])c1 ZINC000930668906 933426455 /nfs/dbraw/zinc/42/64/55/933426455.db2.gz LYLQKDMCLDCTFX-UHFFFAOYSA-N 1 2 268.313 1.156 20 5 CDBDLO CCOc1cccc(C[N@@H+](CCO)CC[N+](=O)[O-])c1 ZINC000930668906 933426459 /nfs/dbraw/zinc/42/64/59/933426459.db2.gz LYLQKDMCLDCTFX-UHFFFAOYSA-N 1 2 268.313 1.156 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C)cc1[N+](=O)[O-] ZINC001214165034 940804711 /nfs/dbraw/zinc/80/47/11/940804711.db2.gz JNYCWRANQPAITE-UHFFFAOYSA-N 1 2 290.279 1.848 20 5 CDBDLO Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218012565 941035448 /nfs/dbraw/zinc/03/54/48/941035448.db2.gz RQWLOKUDOZEMQY-SNVBAGLBSA-N 1 2 273.239 1.553 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962298 941934665 /nfs/dbraw/zinc/93/46/65/941934665.db2.gz GERAYTLEPJKCHB-MRVPVSSYSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962298 941934667 /nfs/dbraw/zinc/93/46/67/941934667.db2.gz GERAYTLEPJKCHB-MRVPVSSYSA-N 1 2 288.250 1.582 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001226971312 942103936 /nfs/dbraw/zinc/10/39/36/942103936.db2.gz LSZSRJBYTGRZBC-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001226971312 942103937 /nfs/dbraw/zinc/10/39/37/942103937.db2.gz LSZSRJBYTGRZBC-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO COc1cc(CC[N+](=O)[O-])ccc1OC1C[NH+](C(C)C)C1 ZINC001233982589 943707587 /nfs/dbraw/zinc/70/75/87/943707587.db2.gz MBTQFYDMPYXBAC-UHFFFAOYSA-N 1 2 294.351 1.986 20 5 CDBDLO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N)c[nH+]1 ZINC001303975026 956138821 /nfs/dbraw/zinc/13/88/21/956138821.db2.gz RTAYMHXAAZTLCA-UHFFFAOYSA-N 1 2 289.295 1.393 20 5 CDBDLO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)[nH+]1 ZINC001303975026 956138833 /nfs/dbraw/zinc/13/88/33/956138833.db2.gz RTAYMHXAAZTLCA-UHFFFAOYSA-N 1 2 289.295 1.393 20 5 CDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331075647 956803482 /nfs/dbraw/zinc/80/34/82/956803482.db2.gz UQIAHMSERFPZRE-LLVKDONJSA-N 1 2 279.296 1.517 20 5 CDBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331075647 956803491 /nfs/dbraw/zinc/80/34/91/956803491.db2.gz UQIAHMSERFPZRE-LLVKDONJSA-N 1 2 279.296 1.517 20 5 CDBDLO O=C(CCc1c[nH]c[nH+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322415528 960212002 /nfs/dbraw/zinc/21/20/02/960212002.db2.gz FUQGGHKURJHOQO-UHFFFAOYSA-N 1 2 286.291 1.793 20 5 CDBDLO O=C(CCc1c[nH+]c[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322415528 960212010 /nfs/dbraw/zinc/21/20/10/960212010.db2.gz FUQGGHKURJHOQO-UHFFFAOYSA-N 1 2 286.291 1.793 20 5 CDBDLO Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000590377556 342540882 /nfs/dbraw/zinc/54/08/82/342540882.db2.gz IVBGNADMIGJPOQ-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000590377556 342540883 /nfs/dbraw/zinc/54/08/83/342540883.db2.gz IVBGNADMIGJPOQ-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)CC(C)C ZINC000026125851 342054517 /nfs/dbraw/zinc/05/45/17/342054517.db2.gz NTIAGZYGORICLK-UHFFFAOYSA-N 1 2 295.339 1.547 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)CC(C)C ZINC000026125851 342054518 /nfs/dbraw/zinc/05/45/18/342054518.db2.gz NTIAGZYGORICLK-UHFFFAOYSA-N 1 2 295.339 1.547 20 5 CDBDLO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093813431 361944698 /nfs/dbraw/zinc/94/46/98/361944698.db2.gz BQIRYCIQZOBBGO-CQSZACIVSA-N 1 2 294.307 1.685 20 5 CDBDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093813431 361944703 /nfs/dbraw/zinc/94/47/03/361944703.db2.gz BQIRYCIQZOBBGO-CQSZACIVSA-N 1 2 294.307 1.685 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087296725 342386198 /nfs/dbraw/zinc/38/61/98/342386198.db2.gz XAHBXXZGOWZRNE-UHFFFAOYSA-N 1 2 288.307 1.577 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092041464 342409875 /nfs/dbraw/zinc/40/98/75/342409875.db2.gz BBQFXTXTJXJMFC-FAQJLRJSSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092041464 342409876 /nfs/dbraw/zinc/40/98/76/342409876.db2.gz BBQFXTXTJXJMFC-FAQJLRJSSA-N 1 2 292.335 1.690 20 5 CDBDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092382057 342411836 /nfs/dbraw/zinc/41/18/36/342411836.db2.gz FEUPQNLOXIERFV-UHFFFAOYSA-N 1 2 295.339 1.601 20 5 CDBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092382057 342411837 /nfs/dbraw/zinc/41/18/37/342411837.db2.gz FEUPQNLOXIERFV-UHFFFAOYSA-N 1 2 295.339 1.601 20 5 CDBDLO Cc1noc(CN2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000599422916 344052992 /nfs/dbraw/zinc/05/29/92/344052992.db2.gz REYDGTGMCYYASX-UHFFFAOYSA-N 1 2 263.257 1.173 20 5 CDBDLO Cc1cc(N2CCn3cc[nH+]c3C2)ncc1[N+](=O)[O-] ZINC000610430889 346279250 /nfs/dbraw/zinc/27/92/50/346279250.db2.gz ORUIXTCXPLRMPD-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1C ZINC000051922457 363023138 /nfs/dbraw/zinc/02/31/38/363023138.db2.gz PKJWVZBFPIWTNE-UHFFFAOYSA-N 1 2 262.269 1.949 20 5 CDBDLO CC(C)[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232701130 535207531 /nfs/dbraw/zinc/20/75/31/535207531.db2.gz RFFBHJLCOJDXJA-SNVBAGLBSA-N 1 2 253.258 1.222 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1ncc([N+](=O)[O-])cc1F ZINC000413034759 363221034 /nfs/dbraw/zinc/22/10/34/363221034.db2.gz ODLDSYDFVKDBKZ-UHFFFAOYSA-N 1 2 265.248 1.499 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000411836205 363350668 /nfs/dbraw/zinc/35/06/68/363350668.db2.gz VMDNTMUWFRAEID-GFCCVEGCSA-N 1 2 254.261 1.765 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000411836205 363350677 /nfs/dbraw/zinc/35/06/77/363350677.db2.gz VMDNTMUWFRAEID-GFCCVEGCSA-N 1 2 254.261 1.765 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000286115323 356219016 /nfs/dbraw/zinc/21/90/16/356219016.db2.gz GHVOMIXJUBTTGF-JTQLQIEISA-N 1 2 280.303 1.146 20 5 CDBDLO CC(C)(C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000308665890 356332429 /nfs/dbraw/zinc/33/24/29/356332429.db2.gz WTJSSGVPYAXTCJ-UHFFFAOYSA-N 1 2 286.357 1.574 20 5 CDBDLO CN(Cc1[nH+]ccn1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341350447 357235139 /nfs/dbraw/zinc/23/51/39/357235139.db2.gz NHWUYZMQBMODGR-UHFFFAOYSA-N 1 2 289.295 1.064 20 5 CDBDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000186687002 357675732 /nfs/dbraw/zinc/67/57/32/357675732.db2.gz OEDNPVKYQUAZAS-AWEZNQCLSA-N 1 2 276.292 1.876 20 5 CDBDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000186687002 357675735 /nfs/dbraw/zinc/67/57/35/357675735.db2.gz OEDNPVKYQUAZAS-AWEZNQCLSA-N 1 2 276.292 1.876 20 5 CDBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050048684 359284518 /nfs/dbraw/zinc/28/45/18/359284518.db2.gz HVYOWWNFCJNZAW-GFCCVEGCSA-N 1 2 264.281 1.732 20 5 CDBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050048684 359284526 /nfs/dbraw/zinc/28/45/26/359284526.db2.gz HVYOWWNFCJNZAW-GFCCVEGCSA-N 1 2 264.281 1.732 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCc1ccccn1 ZINC000348288424 360699954 /nfs/dbraw/zinc/69/99/54/360699954.db2.gz NNKOKMXAGMFLTQ-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCc1ccccn1 ZINC000348288424 360699961 /nfs/dbraw/zinc/69/99/61/360699961.db2.gz NNKOKMXAGMFLTQ-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO CNC(=O)C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301978619 201284793 /nfs/dbraw/zinc/28/47/93/201284793.db2.gz FGSIRKXMIFSWKL-UHFFFAOYSA-N 1 2 298.368 1.279 20 5 CDBDLO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCC1 ZINC000414631814 241284716 /nfs/dbraw/zinc/28/47/16/241284716.db2.gz YBDCNYZJHMPVDU-UHFFFAOYSA-N 1 2 276.252 1.688 20 5 CDBDLO CCNC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774596 367013615 /nfs/dbraw/zinc/01/36/15/367013615.db2.gz YJBSDMFXRSIBJQ-UHFFFAOYSA-N 1 2 283.303 1.692 20 5 CDBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774596 367013621 /nfs/dbraw/zinc/01/36/21/367013621.db2.gz YJBSDMFXRSIBJQ-UHFFFAOYSA-N 1 2 283.303 1.692 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000272335194 367681740 /nfs/dbraw/zinc/68/17/40/367681740.db2.gz NLOFURILOMBWKB-AAEUAGOBSA-N 1 2 280.324 1.657 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC000272335194 367681747 /nfs/dbraw/zinc/68/17/47/367681747.db2.gz NLOFURILOMBWKB-AAEUAGOBSA-N 1 2 280.324 1.657 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000090794670 368132869 /nfs/dbraw/zinc/13/28/69/368132869.db2.gz INPVRJYCTNNALG-LLVKDONJSA-N 1 2 281.312 1.346 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000090794670 368132872 /nfs/dbraw/zinc/13/28/72/368132872.db2.gz INPVRJYCTNNALG-LLVKDONJSA-N 1 2 281.312 1.346 20 5 CDBDLO COC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000193741515 372747683 /nfs/dbraw/zinc/74/76/83/372747683.db2.gz SJVKQOAXCOHVJL-UHFFFAOYSA-N 1 2 268.269 1.078 20 5 CDBDLO COC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000193741515 372747690 /nfs/dbraw/zinc/74/76/90/372747690.db2.gz SJVKQOAXCOHVJL-UHFFFAOYSA-N 1 2 268.269 1.078 20 5 CDBDLO Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000133889378 373000396 /nfs/dbraw/zinc/00/03/96/373000396.db2.gz PKNOTOWHMGQAMB-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000133889378 373000404 /nfs/dbraw/zinc/00/04/04/373000404.db2.gz PKNOTOWHMGQAMB-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO CCCc1n[nH]c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000341591960 373804827 /nfs/dbraw/zinc/80/48/27/373804827.db2.gz MMGINZDHQBJCJR-UHFFFAOYSA-N 1 2 292.299 1.266 20 5 CDBDLO CCCc1[nH]nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000341591960 373804837 /nfs/dbraw/zinc/80/48/37/373804837.db2.gz MMGINZDHQBJCJR-UHFFFAOYSA-N 1 2 292.299 1.266 20 5 CDBDLO Cc1c(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000423817803 246114513 /nfs/dbraw/zinc/11/45/13/246114513.db2.gz ZRXXMIVNZNGMOL-JTQLQIEISA-N 1 2 299.277 1.517 20 5 CDBDLO Cc1nn(C)c(NCc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000276626351 374736286 /nfs/dbraw/zinc/73/62/86/374736286.db2.gz VNPIFWYWBLKOED-UHFFFAOYSA-N 1 2 262.273 1.226 20 5 CDBDLO C[NH+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000277819461 374816591 /nfs/dbraw/zinc/81/65/91/374816591.db2.gz HNUMDNKPYAQNMH-UHFFFAOYSA-N 1 2 263.257 1.025 20 5 CDBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330582628 374868897 /nfs/dbraw/zinc/86/88/97/374868897.db2.gz KAZKGVDRCMWGIR-CHWSQXEVSA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330582628 374868900 /nfs/dbraw/zinc/86/89/00/374868900.db2.gz KAZKGVDRCMWGIR-CHWSQXEVSA-N 1 2 293.367 1.998 20 5 CDBDLO Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000131490285 375272537 /nfs/dbraw/zinc/27/25/37/375272537.db2.gz TZSIPNPPWBPHTE-UHFFFAOYSA-N 1 2 272.308 1.887 20 5 CDBDLO Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000131490285 375272547 /nfs/dbraw/zinc/27/25/47/375272547.db2.gz TZSIPNPPWBPHTE-UHFFFAOYSA-N 1 2 272.308 1.887 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354391827 375704382 /nfs/dbraw/zinc/70/43/82/375704382.db2.gz MQVZHUJIFLONRI-SECBINFHSA-N 1 2 289.295 1.192 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355256828 375784748 /nfs/dbraw/zinc/78/47/48/375784748.db2.gz SGOFKDFUHGNRPI-UHFFFAOYSA-N 1 2 260.253 1.258 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1nccs1 ZINC000357097890 375885485 /nfs/dbraw/zinc/88/54/85/375885485.db2.gz IJHKCVHZFZVUSL-UHFFFAOYSA-N 1 2 281.341 1.810 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000090360452 285114170 /nfs/dbraw/zinc/11/41/70/285114170.db2.gz SJXNOYFQHUJNDT-JTQLQIEISA-N 1 2 267.241 1.070 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000090360452 285114171 /nfs/dbraw/zinc/11/41/71/285114171.db2.gz SJXNOYFQHUJNDT-JTQLQIEISA-N 1 2 267.241 1.070 20 5 CDBDLO Cc1c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000175904881 390666868 /nfs/dbraw/zinc/66/68/68/390666868.db2.gz MSQLVFNPGIPNRJ-GFCCVEGCSA-N 1 2 290.323 1.113 20 5 CDBDLO Cc1c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000175904881 390666873 /nfs/dbraw/zinc/66/68/73/390666873.db2.gz MSQLVFNPGIPNRJ-GFCCVEGCSA-N 1 2 290.323 1.113 20 5 CDBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000269695805 391467208 /nfs/dbraw/zinc/46/72/08/391467208.db2.gz WPJSUIDADXMGFT-MISXGVKJSA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000269695805 391467213 /nfs/dbraw/zinc/46/72/13/391467213.db2.gz WPJSUIDADXMGFT-MISXGVKJSA-N 1 2 280.324 1.737 20 5 CDBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106431 391618536 /nfs/dbraw/zinc/61/85/36/391618536.db2.gz GRXLQADZDVYQMO-HOGDKLEQSA-N 1 2 288.344 1.933 20 5 CDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106431 391618539 /nfs/dbraw/zinc/61/85/39/391618539.db2.gz GRXLQADZDVYQMO-HOGDKLEQSA-N 1 2 288.344 1.933 20 5 CDBDLO CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1[nH]cc[nH+]1 ZINC000439647421 391834646 /nfs/dbraw/zinc/83/46/46/391834646.db2.gz PQGVAOCHHVZQFK-LURJTMIESA-N 1 2 263.261 1.084 20 5 CDBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459765654 392505665 /nfs/dbraw/zinc/50/56/65/392505665.db2.gz VLDOZNRZOFWWRO-SECBINFHSA-N 1 2 276.296 1.885 20 5 CDBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000132225454 393092846 /nfs/dbraw/zinc/09/28/46/393092846.db2.gz NRAPYTNRPPABMI-LBPRGKRZSA-N 1 2 293.323 1.370 20 5 CDBDLO C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]C1 ZINC000235391245 140234924 /nfs/dbraw/zinc/23/49/24/140234924.db2.gz ZHUZXWUCXNQMHB-GFCCVEGCSA-N 1 2 265.269 1.239 20 5 CDBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346285748 153125602 /nfs/dbraw/zinc/12/56/02/153125602.db2.gz MXWDZHCINXZVCK-UHFFFAOYSA-N 1 2 289.295 1.550 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346704671 153282397 /nfs/dbraw/zinc/28/23/97/153282397.db2.gz HXQQPRQSDYIYQF-UHFFFAOYSA-N 1 2 276.252 1.589 20 5 CDBDLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000349181035 154064315 /nfs/dbraw/zinc/06/43/15/154064315.db2.gz DZZRDUGZSGEHKQ-QMMMGPOBSA-N 1 2 292.270 1.877 20 5 CDBDLO CCNC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070759120 176005155 /nfs/dbraw/zinc/00/51/55/176005155.db2.gz CFQSORZEXJZWJR-UHFFFAOYSA-N 1 2 292.339 1.442 20 5 CDBDLO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000193371567 267301402 /nfs/dbraw/zinc/30/14/02/267301402.db2.gz VXSQNIXLJHFHFQ-UHFFFAOYSA-N 1 2 274.236 1.651 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000093097800 280364842 /nfs/dbraw/zinc/36/48/42/280364842.db2.gz LOLWIGNAKMHZKX-SNVBAGLBSA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000093097800 280364846 /nfs/dbraw/zinc/36/48/46/280364846.db2.gz LOLWIGNAKMHZKX-SNVBAGLBSA-N 1 2 256.689 1.815 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000522275552 281096053 /nfs/dbraw/zinc/09/60/53/281096053.db2.gz LVIJRVOSQNOWHJ-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000522275552 281096055 /nfs/dbraw/zinc/09/60/55/281096055.db2.gz LVIJRVOSQNOWHJ-SNVBAGLBSA-N 1 2 283.303 1.867 20 5 CDBDLO CC[C@](C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119469535 281289049 /nfs/dbraw/zinc/28/90/49/281289049.db2.gz RNIMYQZXMRIARV-LBPRGKRZSA-N 1 2 285.731 1.992 20 5 CDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2[nH+]ccn21 ZINC000456361401 288755630 /nfs/dbraw/zinc/75/56/30/288755630.db2.gz DLPIMYDLGGUJOD-BDAKNGLRSA-N 1 2 289.295 1.566 20 5 CDBDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000157181690 289280330 /nfs/dbraw/zinc/28/03/30/289280330.db2.gz NCQFFUIIWSPULV-RISCZKNCSA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000157181690 289280331 /nfs/dbraw/zinc/28/03/31/289280331.db2.gz NCQFFUIIWSPULV-RISCZKNCSA-N 1 2 280.324 1.567 20 5 CDBDLO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262200741 303422816 /nfs/dbraw/zinc/42/28/16/303422816.db2.gz NAPLJEOLMALIKO-SECBINFHSA-N 1 2 279.296 1.111 20 5 CDBDLO C[N@@H+]1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351187749 316243161 /nfs/dbraw/zinc/24/31/61/316243161.db2.gz RZEDYQNNUIYRFN-NSHDSACASA-N 1 2 290.279 1.648 20 5 CDBDLO C[N@H+]1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351187749 316243162 /nfs/dbraw/zinc/24/31/62/316243162.db2.gz RZEDYQNNUIYRFN-NSHDSACASA-N 1 2 290.279 1.648 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000278801486 524349083 /nfs/dbraw/zinc/34/90/83/524349083.db2.gz HSNNJTYRTBJHRL-LLVKDONJSA-N 1 2 280.328 1.147 20 5 CDBDLO COc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000136477371 524599142 /nfs/dbraw/zinc/59/91/42/524599142.db2.gz WCQPJLJUBKRFCL-QMMMGPOBSA-N 1 2 283.309 1.204 20 5 CDBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000733985860 575152067 /nfs/dbraw/zinc/15/20/67/575152067.db2.gz OJVFQIYEAZJSRZ-UHFFFAOYSA-N 1 2 290.254 1.628 20 5 CDBDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767115713 576161347 /nfs/dbraw/zinc/16/13/47/576161347.db2.gz JYKJJDWREXSXMH-GFCCVEGCSA-N 1 2 276.296 1.483 20 5 CDBDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767115713 576161350 /nfs/dbraw/zinc/16/13/50/576161350.db2.gz JYKJJDWREXSXMH-GFCCVEGCSA-N 1 2 276.296 1.483 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767115713 576161356 /nfs/dbraw/zinc/16/13/56/576161356.db2.gz JYKJJDWREXSXMH-GFCCVEGCSA-N 1 2 276.296 1.483 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCc1c[nH+]cn1C ZINC000755812982 576962479 /nfs/dbraw/zinc/96/24/79/576962479.db2.gz XUUSYZKUEVYKRY-UHFFFAOYSA-N 1 2 291.263 1.694 20 5 CDBDLO CO[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000751938942 577076110 /nfs/dbraw/zinc/07/61/10/577076110.db2.gz HHDHXPVQCDDPPX-SNVBAGLBSA-N 1 2 293.279 1.181 20 5 CDBDLO CO[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000751938942 577076112 /nfs/dbraw/zinc/07/61/12/577076112.db2.gz HHDHXPVQCDDPPX-SNVBAGLBSA-N 1 2 293.279 1.181 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000891560631 617479404 /nfs/dbraw/zinc/47/94/04/617479404.db2.gz FFNHKWCMQRWKQR-UHFFFAOYSA-N 1 2 262.273 1.247 20 5 CDBDLO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC[N+](=O)[O-])CC2 ZINC000931617094 618085459 /nfs/dbraw/zinc/08/54/59/618085459.db2.gz GYBFMKUEKQFWLC-SNVBAGLBSA-N 1 2 280.324 1.900 20 5 CDBDLO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC[N+](=O)[O-])CC2 ZINC000931617094 618085469 /nfs/dbraw/zinc/08/54/69/618085469.db2.gz GYBFMKUEKQFWLC-SNVBAGLBSA-N 1 2 280.324 1.900 20 5 CDBDLO O=C(Oc1ccccc1)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791052128 618738509 /nfs/dbraw/zinc/73/85/09/618738509.db2.gz LQOLFSGSJQCYFT-UHFFFAOYSA-N 1 2 293.323 1.470 20 5 CDBDLO O=C(Oc1ccccc1)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791052128 618738511 /nfs/dbraw/zinc/73/85/11/618738511.db2.gz LQOLFSGSJQCYFT-UHFFFAOYSA-N 1 2 293.323 1.470 20 5 CDBDLO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895245501 619486457 /nfs/dbraw/zinc/48/64/57/619486457.db2.gz BAMVJGXOQCLNEY-CMPLNLGQSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895245501 619486460 /nfs/dbraw/zinc/48/64/60/619486460.db2.gz BAMVJGXOQCLNEY-CMPLNLGQSA-N 1 2 279.344 1.036 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000895802235 619852275 /nfs/dbraw/zinc/85/22/75/619852275.db2.gz PSUSSMANRSFAFP-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CCn1c[nH+]c2c1CCN(Cn1cc([N+](=O)[O-])c(C)n1)C2 ZINC000902556808 624944292 /nfs/dbraw/zinc/94/42/92/624944292.db2.gz FGTITCSDFIIGNB-UHFFFAOYSA-N 1 2 290.327 1.332 20 5 CDBDLO Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000133706569 1175807430 /nfs/dbraw/zinc/80/74/30/1175807430.db2.gz WRMZEZAKJSVKSL-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000133706569 1175807435 /nfs/dbraw/zinc/80/74/35/1175807435.db2.gz WRMZEZAKJSVKSL-SNVBAGLBSA-N 1 2 266.301 1.041 20 5 CDBDLO CSCC[C@@H]([NH2+]CC[N+](=O)[O-])c1nnc2ccccn21 ZINC000791053825 735303936 /nfs/dbraw/zinc/30/39/36/735303936.db2.gz HYCLFLIQOYSLOT-SNVBAGLBSA-N 1 2 295.368 1.390 20 5 CDBDLO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525237 735381080 /nfs/dbraw/zinc/38/10/80/735381080.db2.gz JVHAXQXYDIWKES-MRVPVSSYSA-N 1 2 276.300 1.156 20 5 CDBDLO CO[C@@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794653763 736262557 /nfs/dbraw/zinc/26/25/57/736262557.db2.gz FLNAVPWCSIFGLI-NSHDSACASA-N 1 2 254.290 1.250 20 5 CDBDLO CO[C@@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794653763 736262564 /nfs/dbraw/zinc/26/25/64/736262564.db2.gz FLNAVPWCSIFGLI-NSHDSACASA-N 1 2 254.290 1.250 20 5 CDBDLO CC[NH2+]Cc1noc(CCn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000843141849 733687624 /nfs/dbraw/zinc/68/76/24/733687624.db2.gz VDYNMOKABZSSQE-UHFFFAOYSA-N 1 2 294.315 1.143 20 5 CDBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929953068 733890164 /nfs/dbraw/zinc/89/01/64/733890164.db2.gz LCGQNEIEJYNZMF-GFCCVEGCSA-N 1 2 296.302 1.298 20 5 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CC[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001332262848 957497133 /nfs/dbraw/zinc/49/71/33/957497133.db2.gz XBXQGONUVRXKJV-NSHDSACASA-N 1 2 295.343 1.216 20 5 CDBDLO CC[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001332262848 957497135 /nfs/dbraw/zinc/49/71/35/957497135.db2.gz XBXQGONUVRXKJV-NSHDSACASA-N 1 2 295.343 1.216 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=CCC1 ZINC000611517586 346809271 /nfs/dbraw/zinc/80/92/71/346809271.db2.gz UBUVEQCDMAKKCS-UHFFFAOYSA-N 1 2 291.307 1.804 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000611517586 346809275 /nfs/dbraw/zinc/80/92/75/346809275.db2.gz UBUVEQCDMAKKCS-UHFFFAOYSA-N 1 2 291.307 1.804 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000611616351 346837886 /nfs/dbraw/zinc/83/78/86/346837886.db2.gz XVVLREAVJNSQHQ-NSHDSACASA-N 1 2 280.328 1.349 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000611616351 346837891 /nfs/dbraw/zinc/83/78/91/346837891.db2.gz 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O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2n[nH]nc2C1 ZINC000597249507 343498675 /nfs/dbraw/zinc/49/86/75/343498675.db2.gz KYEDNQNTEVMNJS-HWKANZROSA-N 1 2 285.307 1.784 20 5 CDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000597995047 343684075 /nfs/dbraw/zinc/68/40/75/343684075.db2.gz DPNFHKIUGQCWKJ-VHSXEESVSA-N 1 2 297.311 1.027 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000597995047 343684077 /nfs/dbraw/zinc/68/40/77/343684077.db2.gz DPNFHKIUGQCWKJ-VHSXEESVSA-N 1 2 297.311 1.027 20 5 CDBDLO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[NH2+]1 ZINC000598576671 343834143 /nfs/dbraw/zinc/83/41/43/343834143.db2.gz YNYUQMJISGTWAN-LBPRGKRZSA-N 1 2 293.323 1.370 20 5 CDBDLO Cc1cc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC000602762477 344583311 /nfs/dbraw/zinc/58/33/11/344583311.db2.gz JIMGYEYPZBDFST-UHFFFAOYSA-N 1 2 279.300 1.528 20 5 CDBDLO Cc1cc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC000602762477 344583312 /nfs/dbraw/zinc/58/33/12/344583312.db2.gz JIMGYEYPZBDFST-UHFFFAOYSA-N 1 2 279.300 1.528 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000609670356 345988623 /nfs/dbraw/zinc/98/86/23/345988623.db2.gz MHLSRRNCGSQLFP-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000609670356 345988625 /nfs/dbraw/zinc/98/86/25/345988625.db2.gz MHLSRRNCGSQLFP-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611177336 346632163 /nfs/dbraw/zinc/63/21/63/346632163.db2.gz JGQAQCBLVNLVIN-SNVBAGLBSA-N 1 2 293.323 1.314 20 5 CDBDLO COc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611177336 346632167 /nfs/dbraw/zinc/63/21/67/346632167.db2.gz JGQAQCBLVNLVIN-SNVBAGLBSA-N 1 2 293.323 1.314 20 5 CDBDLO Cc1ccc2[nH+]c(Cn3cnc([N+](=O)[O-])c3)cn2c1 ZINC000026124796 348658752 /nfs/dbraw/zinc/65/87/52/348658752.db2.gz DXQNQKUHFXYABY-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO C[N@H+](Cc1ccco1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030276567 348676995 /nfs/dbraw/zinc/67/69/95/348676995.db2.gz FVATYNWEHOOMDI-UHFFFAOYSA-N 1 2 289.291 1.919 20 5 CDBDLO C[N@@H+](Cc1ccco1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030276567 348676999 /nfs/dbraw/zinc/67/69/99/348676999.db2.gz FVATYNWEHOOMDI-UHFFFAOYSA-N 1 2 289.291 1.919 20 5 CDBDLO CCC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090590471 180010503 /nfs/dbraw/zinc/01/05/03/180010503.db2.gz IEEFVHXYTSIHCM-CYBMUJFWSA-N 1 2 295.339 1.257 20 5 CDBDLO CCC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090590471 180010505 /nfs/dbraw/zinc/01/05/05/180010505.db2.gz IEEFVHXYTSIHCM-CYBMUJFWSA-N 1 2 295.339 1.257 20 5 CDBDLO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000104919604 186032041 /nfs/dbraw/zinc/03/20/41/186032041.db2.gz RVBYVHASBNHBIQ-SNVBAGLBSA-N 1 2 293.323 1.324 20 5 CDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000411920492 363375139 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O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000074324129 357909010 /nfs/dbraw/zinc/90/90/10/357909010.db2.gz IDCITGLREGMTLY-SECBINFHSA-N 1 2 299.714 1.253 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286818752 358012184 /nfs/dbraw/zinc/01/21/84/358012184.db2.gz KFXMLUYONXDSSC-KGLIPLIRSA-N 1 2 298.314 1.425 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000286818752 358012188 /nfs/dbraw/zinc/01/21/88/358012188.db2.gz KFXMLUYONXDSSC-KGLIPLIRSA-N 1 2 298.314 1.425 20 5 CDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189781371 358040176 /nfs/dbraw/zinc/04/01/76/358040176.db2.gz JBCOVQAPJFEOMQ-CQSZACIVSA-N 1 2 291.351 1.941 20 5 CDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189781371 358040177 /nfs/dbraw/zinc/04/01/77/358040177.db2.gz JBCOVQAPJFEOMQ-CQSZACIVSA-N 1 2 291.351 1.941 20 5 CDBDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000291280797 358908447 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O=C1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C2(CCC2)C1 ZINC000575193120 361103830 /nfs/dbraw/zinc/10/38/30/361103830.db2.gz ZHWJDKKYVMFEFV-UHFFFAOYSA-N 1 2 278.312 1.379 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1cccnc1 ZINC000267913755 363774010 /nfs/dbraw/zinc/77/40/10/363774010.db2.gz NERPFOBRJIIDKQ-UHFFFAOYSA-N 1 2 287.319 1.984 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000267913755 363774023 /nfs/dbraw/zinc/77/40/23/363774023.db2.gz NERPFOBRJIIDKQ-UHFFFAOYSA-N 1 2 287.319 1.984 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456376030 364279750 /nfs/dbraw/zinc/27/97/50/364279750.db2.gz HKYKEUDGGYLDQH-MRVPVSSYSA-N 1 2 277.284 1.630 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000456380272 364280536 /nfs/dbraw/zinc/28/05/36/364280536.db2.gz JNWGRIGSBUIZPL-SECBINFHSA-N 1 2 291.311 1.641 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000175065107 364312073 /nfs/dbraw/zinc/31/20/73/364312073.db2.gz LIRIILHYTVKSRB-GFCCVEGCSA-N 1 2 293.323 1.443 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000175065107 364312081 /nfs/dbraw/zinc/31/20/81/364312081.db2.gz LIRIILHYTVKSRB-GFCCVEGCSA-N 1 2 293.323 1.443 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378346449 374639072 /nfs/dbraw/zinc/63/90/72/374639072.db2.gz RECGACGGEPKMPI-LBPRGKRZSA-N 1 2 291.307 1.540 20 5 CDBDLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378346449 374639081 /nfs/dbraw/zinc/63/90/81/374639081.db2.gz RECGACGGEPKMPI-LBPRGKRZSA-N 1 2 291.307 1.540 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351950454 374698149 /nfs/dbraw/zinc/69/81/49/374698149.db2.gz FSCXIHHYSFFBCA-PWSUYJOCSA-N 1 2 293.323 1.154 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351950454 374698153 /nfs/dbraw/zinc/69/81/53/374698153.db2.gz FSCXIHHYSFFBCA-PWSUYJOCSA-N 1 2 293.323 1.154 20 5 CDBDLO Cc1cccc(C(=O)NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC000275179243 374691471 /nfs/dbraw/zinc/69/14/71/374691471.db2.gz CHPODXYRYSDVDH-UHFFFAOYSA-N 1 2 277.324 1.726 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000277461839 374788265 /nfs/dbraw/zinc/78/82/65/374788265.db2.gz PDTHQQKTPVZSTM-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](O)C3)nc2c1 ZINC000332159511 375010450 /nfs/dbraw/zinc/01/04/50/375010450.db2.gz AEKBCDCNUNYJMY-SNVBAGLBSA-N 1 2 276.296 1.428 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](O)C3)nc2c1 ZINC000332159511 375010460 /nfs/dbraw/zinc/01/04/60/375010460.db2.gz AEKBCDCNUNYJMY-SNVBAGLBSA-N 1 2 276.296 1.428 20 5 CDBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000299330416 375164498 /nfs/dbraw/zinc/16/44/98/375164498.db2.gz LBUNMMJYJXNZBP-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000299330416 375164501 /nfs/dbraw/zinc/16/45/01/375164501.db2.gz LBUNMMJYJXNZBP-UHFFFAOYSA-N 1 2 282.296 1.469 20 5 CDBDLO Cc1nc(NCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000302665142 375229105 /nfs/dbraw/zinc/22/91/05/375229105.db2.gz CBRFHSBUIMVCRM-UHFFFAOYSA-N 1 2 259.269 1.888 20 5 CDBDLO O=[N+]([O-])c1c(NCCn2cc[nH+]c2)nc2sccn21 ZINC000029842766 375505079 /nfs/dbraw/zinc/50/50/79/375505079.db2.gz QXSHJZGDONKWAA-UHFFFAOYSA-N 1 2 278.297 1.613 20 5 CDBDLO C[C@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353433728 375607871 /nfs/dbraw/zinc/60/78/71/375607871.db2.gz HONGTACKDUNEDJ-GWCFXTLKSA-N 1 2 290.323 1.388 20 5 CDBDLO CCOC(=O)C(CC)(CC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000429270942 247448286 /nfs/dbraw/zinc/44/82/86/247448286.db2.gz HZBLVQYKBLOLFY-UHFFFAOYSA-N 1 2 298.343 1.503 20 5 CDBDLO O=[N+]([O-])c1cnc(NCCNc2cccc[nH+]2)s1 ZINC000443429256 250028591 /nfs/dbraw/zinc/02/85/91/250028591.db2.gz MSCIWEPYVDTAJL-UHFFFAOYSA-N 1 2 265.298 1.392 20 5 CDBDLO Cn1c(C(=O)Nc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000452331832 252023180 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O=C1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CN1 ZINC000413102903 391157955 /nfs/dbraw/zinc/15/79/55/391157955.db2.gz IPDKAQBJJSHNSZ-JTQLQIEISA-N 1 2 286.291 1.834 20 5 CDBDLO CC(F)(F)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517732895 391294202 /nfs/dbraw/zinc/29/42/02/391294202.db2.gz NTPXLPMIRZEKQF-SECBINFHSA-N 1 2 290.266 1.579 20 5 CDBDLO COC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000495307566 391909355 /nfs/dbraw/zinc/90/93/55/391909355.db2.gz PMIMPAWDZIYCCM-UHFFFAOYSA-N 1 2 293.323 1.787 20 5 CDBDLO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218076 393092478 /nfs/dbraw/zinc/09/24/78/393092478.db2.gz JMWOSMODAPMFEG-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218076 393092485 /nfs/dbraw/zinc/09/24/85/393092485.db2.gz JMWOSMODAPMFEG-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO Cc1c(NC(=O)NCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000349975996 154294886 /nfs/dbraw/zinc/29/48/86/154294886.db2.gz ZEDOKDHNTJIRHX-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO Cc1cccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000044917233 175276633 /nfs/dbraw/zinc/27/66/33/175276633.db2.gz LOOOJPDPTRVPAB-NSHDSACASA-N 1 2 288.307 1.918 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nnc(Cn3cc[nH+]c3)o2)cc1 ZINC000078288439 177330641 /nfs/dbraw/zinc/33/06/41/177330641.db2.gz GSWWDVMJXKIMRT-UHFFFAOYSA-N 1 2 271.236 1.890 20 5 CDBDLO O=C(Cn1cc[nH+]c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000010809878 262057881 /nfs/dbraw/zinc/05/78/81/262057881.db2.gz OAIOSKGJSRJVAR-UHFFFAOYSA-N 1 2 272.264 1.381 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000043310622 270226349 /nfs/dbraw/zinc/22/63/49/270226349.db2.gz ZHSKHHGPJSZQGD-UHFFFAOYSA-N 1 2 289.295 1.291 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135014804 279799369 /nfs/dbraw/zinc/79/93/69/279799369.db2.gz UUEZAFUXLKULIN-UHFFFAOYSA-N 1 2 264.216 1.387 20 5 CDBDLO O=[N+]([O-])c1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000291522581 280364088 /nfs/dbraw/zinc/36/40/88/280364088.db2.gz JIUSARZKIIRIDZ-UHFFFAOYSA-N 1 2 258.281 1.807 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1COCCO1)CCO2 ZINC000451046183 280369898 /nfs/dbraw/zinc/36/98/98/280369898.db2.gz FJMLDTCDFOKISW-ZDUSSCGKSA-N 1 2 294.307 1.205 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1COCCO1)CCO2 ZINC000451046183 280369901 /nfs/dbraw/zinc/36/99/01/280369901.db2.gz FJMLDTCDFOKISW-ZDUSSCGKSA-N 1 2 294.307 1.205 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C(F)(F)F)CC2 ZINC000121469698 280370108 /nfs/dbraw/zinc/37/01/08/280370108.db2.gz BBYWUGBFVASAQB-NSHDSACASA-N 1 2 290.241 1.876 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C(F)(F)F)CC2 ZINC000121469698 280370110 /nfs/dbraw/zinc/37/01/10/280370110.db2.gz BBYWUGBFVASAQB-NSHDSACASA-N 1 2 290.241 1.876 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCCC1 ZINC000548180841 289855381 /nfs/dbraw/zinc/85/53/81/289855381.db2.gz HVSDPLVDIBHSOE-SNVBAGLBSA-N 1 2 293.323 1.515 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451118618 303019244 /nfs/dbraw/zinc/01/92/44/303019244.db2.gz YLDMITWMJOEVFT-LLVKDONJSA-N 1 2 256.281 1.652 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451118618 303019249 /nfs/dbraw/zinc/01/92/49/303019249.db2.gz YLDMITWMJOEVFT-LLVKDONJSA-N 1 2 256.281 1.652 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000055017346 521751114 /nfs/dbraw/zinc/75/11/14/521751114.db2.gz FSCKJGPTEWTUJH-LLVKDONJSA-N 1 2 293.323 1.314 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000055017346 521751122 /nfs/dbraw/zinc/75/11/22/521751122.db2.gz FSCKJGPTEWTUJH-LLVKDONJSA-N 1 2 293.323 1.314 20 5 CDBDLO COc1cc(C[NH+]2CCC(O)CC2)c([N+](=O)[O-])cc1F ZINC000184238017 522368301 /nfs/dbraw/zinc/36/83/01/522368301.db2.gz YSOGJHMVLJUEDN-UHFFFAOYSA-N 1 2 284.287 1.699 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340903562 526078870 /nfs/dbraw/zinc/07/88/70/526078870.db2.gz 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COc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000076570373 177040430 /nfs/dbraw/zinc/04/04/30/177040430.db2.gz IVRCROLMSKMTLL-LLVKDONJSA-N 1 2 293.323 1.443 20 5 CDBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000133970885 277148767 /nfs/dbraw/zinc/14/87/67/277148767.db2.gz FXQIXLUDUCBLHU-UHFFFAOYSA-N 1 2 265.313 1.681 20 5 CDBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000133970885 277148771 /nfs/dbraw/zinc/14/87/71/277148771.db2.gz FXQIXLUDUCBLHU-UHFFFAOYSA-N 1 2 265.313 1.681 20 5 CDBDLO C[C@@H](O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000248867752 280389204 /nfs/dbraw/zinc/38/92/04/280389204.db2.gz BCXYMPGQVRRCOV-NXEZZACHSA-N 1 2 286.303 1.298 20 5 CDBDLO C[C@@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000248867752 280389206 /nfs/dbraw/zinc/38/92/06/280389206.db2.gz BCXYMPGQVRRCOV-NXEZZACHSA-N 1 2 286.303 1.298 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000532673337 282020738 /nfs/dbraw/zinc/02/07/38/282020738.db2.gz PYDDJJYDHJNCAM-UHFFFAOYSA-N 1 2 291.311 1.292 20 5 CDBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000577182202 317280439 /nfs/dbraw/zinc/28/04/39/317280439.db2.gz WFQIIZDYHZPRJU-LBPRGKRZSA-N 1 2 290.323 1.674 20 5 CDBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000577182202 317280442 /nfs/dbraw/zinc/28/04/42/317280442.db2.gz WFQIIZDYHZPRJU-LBPRGKRZSA-N 1 2 290.323 1.674 20 5 CDBDLO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183835529 323349345 /nfs/dbraw/zinc/34/93/45/323349345.db2.gz YKARELISEAZTTD-UHFFFAOYSA-N 1 2 269.688 1.356 20 5 CDBDLO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840184314 1160272774 /nfs/dbraw/zinc/27/27/74/1160272774.db2.gz KQDWHPBWERCDKY-LBPRGKRZSA-N 1 2 282.300 1.024 20 5 CDBDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840184314 1160272778 /nfs/dbraw/zinc/27/27/78/1160272778.db2.gz KQDWHPBWERCDKY-LBPRGKRZSA-N 1 2 282.300 1.024 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000338665256 525451185 /nfs/dbraw/zinc/45/11/85/525451185.db2.gz VIMBDPCQWAXICN-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000338665256 525451188 /nfs/dbraw/zinc/45/11/88/525451188.db2.gz VIMBDPCQWAXICN-LLVKDONJSA-N 1 2 295.339 1.736 20 5 CDBDLO Cn1ccnc1[C@@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000353439956 527454876 /nfs/dbraw/zinc/45/48/76/527454876.db2.gz XVXJHVOUBJMCKX-ZDUSSCGKSA-N 1 2 290.323 1.390 20 5 CDBDLO CCC1(O)CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000742171854 576583945 /nfs/dbraw/zinc/58/39/45/576583945.db2.gz QGOLRAJUBRBZIE-UHFFFAOYSA-N 1 2 282.344 1.603 20 5 CDBDLO CN(C)c1ccc(Nc2c([N+](=O)[O-])cnn2C)c[nH+]1 ZINC000891675174 617533202 /nfs/dbraw/zinc/53/32/02/617533202.db2.gz NQXUMIXYENSRRD-UHFFFAOYSA-N 1 2 262.273 1.533 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000892856806 617834610 /nfs/dbraw/zinc/83/46/10/617834610.db2.gz 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739389101 /nfs/dbraw/zinc/38/91/01/739389101.db2.gz FUROCYLIJHISSW-GFCCVEGCSA-N 1 2 282.369 1.968 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000817282032 740263241 /nfs/dbraw/zinc/26/32/41/740263241.db2.gz BAQOYRMFEZESSR-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000817282032 740263243 /nfs/dbraw/zinc/26/32/43/740263243.db2.gz BAQOYRMFEZESSR-LBPRGKRZSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000048805687 739290520 /nfs/dbraw/zinc/29/05/20/739290520.db2.gz QGFZHLZJANKYBG-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC3(CC3)C1)OCCO2 ZINC000824533969 739448778 /nfs/dbraw/zinc/44/87/78/739448778.db2.gz VFHWMKCLEGEVDN-UHFFFAOYSA-N 1 2 276.292 1.962 20 5 CDBDLO CC1(C)C[N@H+](CCNc2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000881893950 741820374 /nfs/dbraw/zinc/82/03/74/741820374.db2.gz WBBWSIHVNLNAGM-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO CC1(C)C[N@@H+](CCNc2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000881893950 741820375 /nfs/dbraw/zinc/82/03/75/741820375.db2.gz WBBWSIHVNLNAGM-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO CC1(C)COCC[N@@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881916468 742695520 /nfs/dbraw/zinc/69/55/20/742695520.db2.gz ZXZGIJZIFGQSCA-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO CC1(C)COCC[N@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881916468 742695535 /nfs/dbraw/zinc/69/55/35/742695535.db2.gz ZXZGIJZIFGQSCA-UHFFFAOYSA-N 1 2 298.318 1.652 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006183 927609184 /nfs/dbraw/zinc/60/91/84/927609184.db2.gz FVRDRICHVGJROK-BBBLOLIVSA-N 1 2 264.272 1.134 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006183 927609192 /nfs/dbraw/zinc/60/91/92/927609192.db2.gz FVRDRICHVGJROK-BBBLOLIVSA-N 1 2 264.272 1.134 20 5 CDBDLO CC(C)O[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000844717054 931681495 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Cc1c(C)c([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001229881307 942548621 /nfs/dbraw/zinc/54/86/21/942548621.db2.gz RSFQYOZUCHSNHN-LBPRGKRZSA-N 1 2 280.324 1.921 20 5 CDBDLO CCCC(=O)NCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001231224520 942823278 /nfs/dbraw/zinc/82/32/78/942823278.db2.gz XEHWPBHEGXZVMG-UHFFFAOYSA-N 1 2 297.359 1.067 20 5 CDBDLO CCCC(=O)NCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001231224520 942823282 /nfs/dbraw/zinc/82/32/82/942823282.db2.gz XEHWPBHEGXZVMG-UHFFFAOYSA-N 1 2 297.359 1.067 20 5 CDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CC(F)C2)C1 ZINC001254550129 947522176 /nfs/dbraw/zinc/52/21/76/947522176.db2.gz DCCIDWNSMHRSFL-LLVKDONJSA-N 1 2 293.342 1.864 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1CCOC(C)(C)C1 ZINC001326377484 954348729 /nfs/dbraw/zinc/34/87/29/954348729.db2.gz BTAAASBQRZYWRO-UHFFFAOYSA-N 1 2 294.355 1.243 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CCOC(C)(C)C1 ZINC001326377484 954348732 /nfs/dbraw/zinc/34/87/32/954348732.db2.gz BTAAASBQRZYWRO-UHFFFAOYSA-N 1 2 294.355 1.243 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001327728492 955017923 /nfs/dbraw/zinc/01/79/23/955017923.db2.gz RQKBZVPRJBCLST-NEPJUHHUSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001327728492 955017934 /nfs/dbraw/zinc/01/79/34/955017934.db2.gz RQKBZVPRJBCLST-NEPJUHHUSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1ccc(NC(=O)C[NH2+]CC[N+](=O)[O-])c(Cl)c1 ZINC001335950397 960119292 /nfs/dbraw/zinc/11/92/92/960119292.db2.gz INLNVKICMTYFHU-UHFFFAOYSA-N 1 2 271.704 1.453 20 5 CDBDLO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)Cn1cc[nH+]c1 ZINC001342828384 963834619 /nfs/dbraw/zinc/83/46/19/963834619.db2.gz BGBWYINOBUBHPL-VIFPVBQESA-N 1 2 264.289 1.273 20 5 CDBDLO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001575730594 1171256547 /nfs/dbraw/zinc/25/65/47/1171256547.db2.gz AIBNLKUPLJERSL-UHFFFAOYSA-N 1 2 281.312 1.418 20 5 CDBDLO CCNC(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168847 342090171 /nfs/dbraw/zinc/09/01/71/342090171.db2.gz BVVSNIZPVAWNLT-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO CCNC(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168847 342090172 /nfs/dbraw/zinc/09/01/72/342090172.db2.gz BVVSNIZPVAWNLT-UHFFFAOYSA-N 1 2 292.295 1.304 20 5 CDBDLO CC1(C)C[NH2+][C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000592558214 342709633 /nfs/dbraw/zinc/70/96/33/342709633.db2.gz BEUNXKJLLYQAKI-JTQLQIEISA-N 1 2 265.269 1.237 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000339756978 361875613 /nfs/dbraw/zinc/87/56/13/361875613.db2.gz ZNEKLQQFXBRFDW-NSHDSACASA-N 1 2 280.324 1.895 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339756978 361875614 /nfs/dbraw/zinc/87/56/14/361875614.db2.gz ZNEKLQQFXBRFDW-NSHDSACASA-N 1 2 280.324 1.895 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000048615553 342258946 /nfs/dbraw/zinc/25/89/46/342258946.db2.gz BXNQNVZQCNQQCT-NSHDSACASA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000048615553 342258947 /nfs/dbraw/zinc/25/89/47/342258947.db2.gz BXNQNVZQCNQQCT-NSHDSACASA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000077962980 342334062 /nfs/dbraw/zinc/33/40/62/342334062.db2.gz SRPTXOZTNITSMJ-UHFFFAOYSA-N 1 2 279.340 1.672 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596246395 343286158 /nfs/dbraw/zinc/28/61/58/343286158.db2.gz DJJSOTDMKRJINR-GFCCVEGCSA-N 1 2 292.339 1.291 20 5 CDBDLO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140982180 346959141 /nfs/dbraw/zinc/95/91/41/346959141.db2.gz AUPSIPHDHXMYFO-SECBINFHSA-N 1 2 290.279 1.574 20 5 CDBDLO CC(=O)N1CC[NH+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000052129237 362474994 /nfs/dbraw/zinc/47/49/94/362474994.db2.gz YQTFWCFFDQZEKE-UHFFFAOYSA-N 1 2 292.339 1.171 20 5 CDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC(n2cc[nH+]c2)C1 ZINC000537164259 282352445 /nfs/dbraw/zinc/35/24/45/282352445.db2.gz MXZYLXBNMUFQNV-UHFFFAOYSA-N 1 2 287.279 1.880 20 5 CDBDLO COc1cc[nH+]cc1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000344115384 362552833 /nfs/dbraw/zinc/55/28/33/362552833.db2.gz XFDNBSUBZOCLKT-UHFFFAOYSA-N 1 2 275.264 1.517 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000054866757 347833092 /nfs/dbraw/zinc/83/30/92/347833092.db2.gz VCPCLCPUNNWUTD-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555582635 290227091 /nfs/dbraw/zinc/22/70/91/290227091.db2.gz HRBFUELIVOQAFH-VXGBXAGGSA-N 1 2 266.297 1.549 20 5 CDBDLO COc1cc[nH+]c(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000106586865 186128310 /nfs/dbraw/zinc/12/83/10/186128310.db2.gz LONDYYYUOFHVII-UHFFFAOYSA-N 1 2 262.269 1.860 20 5 CDBDLO O=[N+]([O-])c1cnc(NCC[NH+]2Cc3ccccc3C2)s1 ZINC000619694987 350835346 /nfs/dbraw/zinc/83/53/46/350835346.db2.gz JTBDZELVZKAJGK-UHFFFAOYSA-N 1 2 290.348 1.901 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000290645851 357248371 /nfs/dbraw/zinc/24/83/71/357248371.db2.gz AHJNQELVTPOVGA-UHFFFAOYSA-N 1 2 286.291 1.376 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@H+](C)C1 ZINC000187145448 357732403 /nfs/dbraw/zinc/73/24/03/357732403.db2.gz UTDSGBNIXAWOKW-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[N@@H+](C)C1 ZINC000187145448 357732406 /nfs/dbraw/zinc/73/24/06/357732406.db2.gz UTDSGBNIXAWOKW-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO Cc1c(C[N@H+](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000076304702 357978748 /nfs/dbraw/zinc/97/87/48/357978748.db2.gz JIHPDAFHMOJNQB-UHFFFAOYSA-N 1 2 286.353 1.380 20 5 CDBDLO Cc1c(C[N@@H+](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000076304702 357978752 /nfs/dbraw/zinc/97/87/52/357978752.db2.gz JIHPDAFHMOJNQB-UHFFFAOYSA-N 1 2 286.353 1.380 20 5 CDBDLO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(F)F ZINC000135392336 358402421 /nfs/dbraw/zinc/40/24/21/358402421.db2.gz BGJAEXPADRGKQG-UHFFFAOYSA-N 1 2 262.260 1.767 20 5 CDBDLO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(F)F ZINC000135392336 358402424 /nfs/dbraw/zinc/40/24/24/358402424.db2.gz BGJAEXPADRGKQG-UHFFFAOYSA-N 1 2 262.260 1.767 20 5 CDBDLO CCOCCOCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339117880 359294876 /nfs/dbraw/zinc/29/48/76/359294876.db2.gz JCNKNFZMPWWIMP-UHFFFAOYSA-N 1 2 298.339 1.785 20 5 CDBDLO CCOCCOCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339117880 359294883 /nfs/dbraw/zinc/29/48/83/359294883.db2.gz JCNKNFZMPWWIMP-UHFFFAOYSA-N 1 2 298.339 1.785 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000023991893 359526695 /nfs/dbraw/zinc/52/66/95/359526695.db2.gz MFNLPPOEJMEEDK-GFCCVEGCSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000023991893 359526699 /nfs/dbraw/zinc/52/66/99/359526699.db2.gz MFNLPPOEJMEEDK-GFCCVEGCSA-N 1 2 293.323 1.298 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000302133888 201358545 /nfs/dbraw/zinc/35/85/45/201358545.db2.gz ZEUAKEDDUBABKJ-LBPRGKRZSA-N 1 2 287.279 1.438 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000179075559 364981230 /nfs/dbraw/zinc/98/12/30/364981230.db2.gz CIUHIIAGCSQALB-LBPRGKRZSA-N 1 2 276.340 1.315 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664943 369114910 /nfs/dbraw/zinc/11/49/10/369114910.db2.gz KFQXGRVTFLNZQR-ZJUUUORDSA-N 1 2 294.311 1.038 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664943 369114911 /nfs/dbraw/zinc/11/49/11/369114911.db2.gz KFQXGRVTFLNZQR-ZJUUUORDSA-N 1 2 294.311 1.038 20 5 CDBDLO Cc1cc(CNc2ncc([N+](=O)[O-])c(C)n2)cc(C)[nH+]1 ZINC000420648079 244310449 /nfs/dbraw/zinc/31/04/49/244310449.db2.gz CRZSHIPRCLWWOI-UHFFFAOYSA-N 1 2 273.296 1.739 20 5 CDBDLO COC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000035677762 373844165 /nfs/dbraw/zinc/84/41/65/373844165.db2.gz SILJOCWXRJCWDQ-ZDUSSCGKSA-N 1 2 280.324 1.925 20 5 CDBDLO Cc1cc[nH+]c(C)c1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000425595736 374448111 /nfs/dbraw/zinc/44/81/11/374448111.db2.gz JFKBUYUYBJRFGB-UHFFFAOYSA-N 1 2 275.268 1.592 20 5 CDBDLO Cn1cc[nH+]c1[C@@H](NCCF)c1ccc([N+](=O)[O-])cc1 ZINC000280615034 375008905 /nfs/dbraw/zinc/00/89/05/375008905.db2.gz DYJBPYDTSHIAQL-LBPRGKRZSA-N 1 2 278.287 1.977 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812401 375024031 /nfs/dbraw/zinc/02/40/31/375024031.db2.gz TZPAATWVHGLDTG-CABZTGNLSA-N 1 2 282.296 1.122 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812401 375024034 /nfs/dbraw/zinc/02/40/34/375024034.db2.gz TZPAATWVHGLDTG-CABZTGNLSA-N 1 2 282.296 1.122 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493254569 375429397 /nfs/dbraw/zinc/42/93/97/375429397.db2.gz KTDPLMWVAGDHBJ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493254569 375429403 /nfs/dbraw/zinc/42/94/03/375429403.db2.gz KTDPLMWVAGDHBJ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO O=C(Cn1cc[nH+]c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000029594337 375442792 /nfs/dbraw/zinc/44/27/92/375442792.db2.gz HGSOUGHACMHHPL-UHFFFAOYSA-N 1 2 290.235 1.159 20 5 CDBDLO COc1ccc(C[NH2+]Cc2[nH]ncc2C)cc1[N+](=O)[O-] ZINC000352836607 375542407 /nfs/dbraw/zinc/54/24/07/375542407.db2.gz VKCCNFBGKKSOSD-UHFFFAOYSA-N 1 2 276.296 1.925 20 5 CDBDLO COc1ccc(C[NH2+]Cc2n[nH]cc2C)cc1[N+](=O)[O-] ZINC000352836607 375542413 /nfs/dbraw/zinc/54/24/13/375542413.db2.gz VKCCNFBGKKSOSD-UHFFFAOYSA-N 1 2 276.296 1.925 20 5 CDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn2cc[nH+]c2c1 ZINC000355294277 375788354 /nfs/dbraw/zinc/78/83/54/375788354.db2.gz WAZYDAIQCQJALD-UHFFFAOYSA-N 1 2 286.251 1.078 20 5 CDBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c([N+](=O)[O-])ncn1C ZINC000428685153 247349394 /nfs/dbraw/zinc/34/93/94/247349394.db2.gz QBGOAABYDCLPGM-UHFFFAOYSA-N 1 2 290.327 1.498 20 5 CDBDLO CC(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232630776 375832709 /nfs/dbraw/zinc/83/27/09/375832709.db2.gz VLXAIHRQFWRQDI-UHFFFAOYSA-N 1 2 253.258 1.237 20 5 CDBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)cc1[N+](=O)[O-] ZINC000347650346 376659785 /nfs/dbraw/zinc/65/97/85/376659785.db2.gz KBDNLUGXTKFBPH-SECBINFHSA-N 1 2 291.311 1.176 20 5 CDBDLO COCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267004078 379154405 /nfs/dbraw/zinc/15/44/05/379154405.db2.gz FBHAUDHOELTUHH-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO COCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267004078 379154413 /nfs/dbraw/zinc/15/44/13/379154413.db2.gz FBHAUDHOELTUHH-UHFFFAOYSA-N 1 2 272.276 1.175 20 5 CDBDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459828532 252789300 /nfs/dbraw/zinc/78/93/00/252789300.db2.gz OJNPBGXLYOKWPH-CMPLNLGQSA-N 1 2 286.715 1.752 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCOCC1 ZINC000349946745 285155942 /nfs/dbraw/zinc/15/59/42/285155942.db2.gz TXIPFBQPAFMJHQ-UHFFFAOYSA-N 1 2 254.261 1.956 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCOCC1 ZINC000349946745 285155946 /nfs/dbraw/zinc/15/59/46/285155946.db2.gz TXIPFBQPAFMJHQ-UHFFFAOYSA-N 1 2 254.261 1.956 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251935648 285301142 /nfs/dbraw/zinc/30/11/42/285301142.db2.gz UGIHILRNMGKGNR-RISCZKNCSA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251935648 285301143 /nfs/dbraw/zinc/30/11/43/285301143.db2.gz UGIHILRNMGKGNR-RISCZKNCSA-N 1 2 280.324 1.831 20 5 CDBDLO CO[C@@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000488014348 391997929 /nfs/dbraw/zinc/99/79/29/391997929.db2.gz YTDRJZJEFBLKTD-CHWSQXEVSA-N 1 2 284.287 1.580 20 5 CDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000549185825 392543825 /nfs/dbraw/zinc/54/38/25/392543825.db2.gz DRRGTJFZVAFHLF-QMMMGPOBSA-N 1 2 290.283 1.061 20 5 CDBDLO Cc1noc(C2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000459616702 392492281 /nfs/dbraw/zinc/49/22/81/392492281.db2.gz YSCCLEVEGCEORY-UHFFFAOYSA-N 1 2 274.280 1.886 20 5 CDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000348947566 392647014 /nfs/dbraw/zinc/64/70/14/392647014.db2.gz JPIXDWJKRUEXCN-UHFFFAOYSA-N 1 2 286.357 1.359 20 5 CDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000348947566 392647026 /nfs/dbraw/zinc/64/70/26/392647026.db2.gz JPIXDWJKRUEXCN-UHFFFAOYSA-N 1 2 286.357 1.359 20 5 CDBDLO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3ccncc23)c1 ZINC000493682172 393217522 /nfs/dbraw/zinc/21/75/22/393217522.db2.gz OVPWEQHAPVHEAU-UHFFFAOYSA-N 1 2 284.279 1.269 20 5 CDBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000343279372 152099023 /nfs/dbraw/zinc/09/90/23/152099023.db2.gz YLSAMWYAWUEUAG-SNVBAGLBSA-N 1 2 274.284 1.682 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000343285042 152101956 /nfs/dbraw/zinc/10/19/56/152101956.db2.gz IUPQLOCQFLZUSV-UHFFFAOYSA-N 1 2 274.280 1.187 20 5 CDBDLO NC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000350463211 154387941 /nfs/dbraw/zinc/38/79/41/154387941.db2.gz SWPXOONMVLKVTA-UHFFFAOYSA-N 1 2 294.242 1.111 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000359477583 158259729 /nfs/dbraw/zinc/25/97/29/158259729.db2.gz CWSGDSIUZMEDPV-UHFFFAOYSA-N 1 2 266.282 1.618 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C)CCO1 ZINC000362678323 159211193 /nfs/dbraw/zinc/21/11/93/159211193.db2.gz BDTULWOGLCQNIV-CYBMUJFWSA-N 1 2 294.355 1.243 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C)CCO1 ZINC000362678323 159211196 /nfs/dbraw/zinc/21/11/96/159211196.db2.gz BDTULWOGLCQNIV-CYBMUJFWSA-N 1 2 294.355 1.243 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000372385740 160115008 /nfs/dbraw/zinc/11/50/08/160115008.db2.gz QOPNYFSWKUFIPL-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000372385740 160115006 /nfs/dbraw/zinc/11/50/06/160115006.db2.gz QOPNYFSWKUFIPL-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO CCn1ncnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285208383 196222225 /nfs/dbraw/zinc/22/22/25/196222225.db2.gz DLCCVNFICMAOIK-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO CCn1ncnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285208383 196222227 /nfs/dbraw/zinc/22/22/27/196222227.db2.gz DLCCVNFICMAOIK-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC000040511234 174304574 /nfs/dbraw/zinc/30/45/74/174304574.db2.gz XZDQOVQZEHEYNL-UHFFFAOYSA-N 1 2 271.236 1.890 20 5 CDBDLO CCOCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000084679420 270228721 /nfs/dbraw/zinc/22/87/21/270228721.db2.gz MTSIWGQEUMUUCS-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO CCOCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000084679420 270228723 /nfs/dbraw/zinc/22/87/23/270228723.db2.gz MTSIWGQEUMUUCS-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1[nH]cc[nH+]1 ZINC000134498009 279780628 /nfs/dbraw/zinc/78/06/28/279780628.db2.gz ZVKMJFPSJRSLSI-UHFFFAOYSA-N 1 2 290.279 1.056 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000154919570 289221597 /nfs/dbraw/zinc/22/15/97/289221597.db2.gz ZIVJNFJCEFFGDQ-UHFFFAOYSA-N 1 2 288.307 1.954 20 5 CDBDLO COCC[C@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339131165 292730073 /nfs/dbraw/zinc/73/00/73/292730073.db2.gz RNQIMKQDLWGYPA-AWEZNQCLSA-N 1 2 296.323 1.586 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000552558847 290076153 /nfs/dbraw/zinc/07/61/53/290076153.db2.gz LOQFOCXDEWTQKM-SSDOTTSWSA-N 1 2 292.299 1.655 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373065888 304530958 /nfs/dbraw/zinc/53/09/58/304530958.db2.gz LNJIZOUFMMPXKP-GXSJLCMTSA-N 1 2 291.307 1.124 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373065890 304531352 /nfs/dbraw/zinc/53/13/52/304531352.db2.gz LNJIZOUFMMPXKP-MWLCHTKSSA-N 1 2 291.307 1.124 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCOCC2)c2c(c1)COCO2 ZINC000363436997 527329208 /nfs/dbraw/zinc/32/92/08/527329208.db2.gz SOSUSSBYFPSIPQ-UHFFFAOYSA-N 1 2 294.307 1.684 20 5 CDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCOCC2)c2c(c1)COCO2 ZINC000363436997 527329209 /nfs/dbraw/zinc/32/92/09/527329209.db2.gz SOSUSSBYFPSIPQ-UHFFFAOYSA-N 1 2 294.307 1.684 20 5 CDBDLO Cc1nn(C)c(C(=O)Nc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000337315631 527600268 /nfs/dbraw/zinc/60/02/68/527600268.db2.gz CSIMJYKQAFDGMA-UHFFFAOYSA-N 1 2 275.268 1.014 20 5 CDBDLO Cc1ccc(N2CC[NH+](CC[N+](=O)[O-])CC2)c(C)c1 ZINC000931073622 617595441 /nfs/dbraw/zinc/59/54/41/617595441.db2.gz QERDWSDGALTCTJ-UHFFFAOYSA-N 1 2 263.341 1.702 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895246320 619492344 /nfs/dbraw/zinc/49/23/44/619492344.db2.gz MYMWFGPOLLPAAN-AAEUAGOBSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000895246320 619492346 /nfs/dbraw/zinc/49/23/46/619492346.db2.gz MYMWFGPOLLPAAN-AAEUAGOBSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])cc(C)c1F ZINC001170344055 1162348662 /nfs/dbraw/zinc/34/86/62/1162348662.db2.gz BMOZUDZQEWIODJ-UHFFFAOYSA-N 1 2 294.286 1.743 20 5 CDBDLO Nc1cc(CNc2ccc([N+](=O)[O-])c3c2CNC3=O)cc[nH+]1 ZINC001167618645 1159162977 /nfs/dbraw/zinc/16/29/77/1159162977.db2.gz LTGAPUVHNUULPL-UHFFFAOYSA-N 1 2 299.290 1.428 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000820580996 742977834 /nfs/dbraw/zinc/97/78/34/742977834.db2.gz KMUNICFQBMRMCF-UHFFFAOYSA-N 1 2 289.251 1.789 20 5 CDBDLO Cc1c(C[NH2+][C@@H](C)c2cnn(C)n2)cccc1[N+](=O)[O-] ZINC000926272353 743395359 /nfs/dbraw/zinc/39/53/59/743395359.db2.gz WTDYWAPYESGHSH-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000317699784 745694373 /nfs/dbraw/zinc/69/43/73/745694373.db2.gz RZPRWKUDRMPWKO-SKDRFNHKSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000317699784 745694384 /nfs/dbraw/zinc/69/43/84/745694384.db2.gz RZPRWKUDRMPWKO-SKDRFNHKSA-N 1 2 286.715 1.033 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780073038 745825166 /nfs/dbraw/zinc/82/51/66/745825166.db2.gz WYESELPAMSKSBW-UHFFFAOYSA-N 1 2 277.236 1.354 20 5 CDBDLO Cc1noc(COC(=O)C[C@H](C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000853923954 746411080 /nfs/dbraw/zinc/41/10/80/746411080.db2.gz HNKNLHRHLGLWJM-QMMMGPOBSA-N 1 2 294.267 1.782 20 5 CDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000854375382 746879060 /nfs/dbraw/zinc/87/90/60/746879060.db2.gz OYDYIMHQOALMJK-UHFFFAOYSA-N 1 2 288.307 1.562 20 5 CDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179680150 747847380 /nfs/dbraw/zinc/84/73/80/747847380.db2.gz NHEKFDJQBIAAFJ-UHFFFAOYSA-N 1 2 297.330 1.938 20 5 CDBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179680150 747847381 /nfs/dbraw/zinc/84/73/81/747847381.db2.gz NHEKFDJQBIAAFJ-UHFFFAOYSA-N 1 2 297.330 1.938 20 5 CDBDLO Cn1c(C(=O)OCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000782587753 748874023 /nfs/dbraw/zinc/87/40/23/748874023.db2.gz XHPGFYNCPMUFII-UHFFFAOYSA-N 1 2 278.268 1.377 20 5 CDBDLO CON1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000846977511 749182386 /nfs/dbraw/zinc/18/23/86/749182386.db2.gz RYKGFRRFKOZHAN-LLVKDONJSA-N 1 2 265.313 1.835 20 5 CDBDLO CCOc1nc(NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001155198245 1167106881 /nfs/dbraw/zinc/10/68/81/1167106881.db2.gz YCVPDJTWLDXICX-JTQLQIEISA-N 1 2 296.327 1.131 20 5 CDBDLO CCOc1nc(NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001155198245 1167106886 /nfs/dbraw/zinc/10/68/86/1167106886.db2.gz YCVPDJTWLDXICX-JTQLQIEISA-N 1 2 296.327 1.131 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001168452033 913423602 /nfs/dbraw/zinc/42/36/02/913423602.db2.gz XMTQHNYQITWJGW-UHFFFAOYSA-N 1 2 292.339 1.575 20 5 CDBDLO Cc1c(NC[C@H]2C[N@H+](C)CCO2)cc(F)cc1[N+](=O)[O-] ZINC001162683978 922886039 /nfs/dbraw/zinc/88/60/39/922886039.db2.gz PEPFNJYREUVDOL-NSHDSACASA-N 1 2 283.303 1.785 20 5 CDBDLO Cc1c(NC[C@H]2C[N@@H+](C)CCO2)cc(F)cc1[N+](=O)[O-] ZINC001162683978 922886047 /nfs/dbraw/zinc/88/60/47/922886047.db2.gz PEPFNJYREUVDOL-NSHDSACASA-N 1 2 283.303 1.785 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038190 927646729 /nfs/dbraw/zinc/64/67/29/927646729.db2.gz WNFWZVWYHVJNAQ-PWSUYJOCSA-N 1 2 291.355 1.417 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038190 927646734 /nfs/dbraw/zinc/64/67/34/927646734.db2.gz WNFWZVWYHVJNAQ-PWSUYJOCSA-N 1 2 291.355 1.417 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](Nc2c(C)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001169129986 927742984 /nfs/dbraw/zinc/74/29/84/927742984.db2.gz HHPCJSVDOPHUIE-ZJUUUORDSA-N 1 2 279.296 1.219 20 5 CDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169655582 928294845 /nfs/dbraw/zinc/29/48/45/928294845.db2.gz ICKNLCRQNCAQKD-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169655582 928294858 /nfs/dbraw/zinc/29/48/58/928294858.db2.gz ICKNLCRQNCAQKD-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001116868607 937477315 /nfs/dbraw/zinc/47/73/15/937477315.db2.gz FQHHZEJRAAUTBA-LLVKDONJSA-N 1 2 288.307 1.711 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000048550882 934387800 /nfs/dbraw/zinc/38/78/00/934387800.db2.gz SLJXZWRISIDTMP-VIFPVBQESA-N 1 2 289.295 1.192 20 5 CDBDLO COc1ncc([N+](=O)[O-])cc1NCCCn1cc[nH+]c1 ZINC001161684962 938920527 /nfs/dbraw/zinc/92/05/27/938920527.db2.gz ZHCQDCGCHIVYFI-UHFFFAOYSA-N 1 2 277.284 1.697 20 5 CDBDLO O=[N+]([O-])C[C@H](OCCn1cc[nH+]c1)c1cccnc1 ZINC001222134225 941567538 /nfs/dbraw/zinc/56/75/38/941567538.db2.gz CABNLINAKZYGJN-LBPRGKRZSA-N 1 2 262.269 1.313 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1C[N@H+](C)CCO1 ZINC001226764622 942064560 /nfs/dbraw/zinc/06/45/60/942064560.db2.gz LTHWBDFSMZIYKE-LLVKDONJSA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001226764622 942064568 /nfs/dbraw/zinc/06/45/68/942064568.db2.gz LTHWBDFSMZIYKE-LLVKDONJSA-N 1 2 267.285 1.008 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1cccc([N+](=O)[O-])c1 ZINC001226763010 942064707 /nfs/dbraw/zinc/06/47/07/942064707.db2.gz GKJTXPWBHKVACQ-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257020 942284523 /nfs/dbraw/zinc/28/45/23/942284523.db2.gz CQURPFFMRLGHAF-GFCCVEGCSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257020 942284528 /nfs/dbraw/zinc/28/45/28/942284528.db2.gz CQURPFFMRLGHAF-GFCCVEGCSA-N 1 2 286.715 1.958 20 5 CDBDLO Cc1cc2[nH]c(OC3C[NH+](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672677 942354034 /nfs/dbraw/zinc/35/40/34/942354034.db2.gz YRELJHIDHHBDDS-UHFFFAOYSA-N 1 2 262.269 1.472 20 5 CDBDLO COC(=O)c1c(OC2C[NH+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001229045907 942412003 /nfs/dbraw/zinc/41/20/03/942412003.db2.gz PINWGDPNXFCTGN-UHFFFAOYSA-N 1 2 294.307 1.853 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915544 942734224 /nfs/dbraw/zinc/73/42/24/942734224.db2.gz QXVTZTIVONOYME-SECBINFHSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915544 942734228 /nfs/dbraw/zinc/73/42/28/942734228.db2.gz QXVTZTIVONOYME-SECBINFHSA-N 1 2 286.715 1.958 20 5 CDBDLO C[NH+]1CC(Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233841455 943669605 /nfs/dbraw/zinc/66/96/05/943669605.db2.gz OVGYCJOIRDOJOA-UHFFFAOYSA-N 1 2 259.265 1.836 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC13COC3)C2 ZINC001254597365 947547000 /nfs/dbraw/zinc/54/70/00/947547000.db2.gz CTJGCCGXAABPCY-ZDUSSCGKSA-N 1 2 260.293 1.537 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC13COC3)C2 ZINC001254597365 947547009 /nfs/dbraw/zinc/54/70/09/947547009.db2.gz CTJGCCGXAABPCY-ZDUSSCGKSA-N 1 2 260.293 1.537 20 5 CDBDLO Cc1nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001327727858 955018276 /nfs/dbraw/zinc/01/82/76/955018276.db2.gz NKEMSUWMKAGNFC-UWVGGRQHSA-N 1 2 295.343 1.214 20 5 CDBDLO Cc1nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001327727858 955018288 /nfs/dbraw/zinc/01/82/88/955018288.db2.gz NKEMSUWMKAGNFC-UWVGGRQHSA-N 1 2 295.343 1.214 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001327728500 955018373 /nfs/dbraw/zinc/01/83/73/955018373.db2.gz RQKBZVPRJBCLST-RYUDHWBXSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001327728500 955018380 /nfs/dbraw/zinc/01/83/80/955018380.db2.gz RQKBZVPRJBCLST-RYUDHWBXSA-N 1 2 294.355 1.241 20 5 CDBDLO Cc1nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001327727859 955018491 /nfs/dbraw/zinc/01/84/91/955018491.db2.gz NKEMSUWMKAGNFC-VHSXEESVSA-N 1 2 295.343 1.214 20 5 CDBDLO Cc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001327727859 955018499 /nfs/dbraw/zinc/01/84/99/955018499.db2.gz NKEMSUWMKAGNFC-VHSXEESVSA-N 1 2 295.343 1.214 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC001333159259 958116888 /nfs/dbraw/zinc/11/68/88/958116888.db2.gz PAKPTGFFRFSYMG-JTQLQIEISA-N 1 2 265.317 1.138 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC001333159259 958116897 /nfs/dbraw/zinc/11/68/97/958116897.db2.gz PAKPTGFFRFSYMG-JTQLQIEISA-N 1 2 265.317 1.138 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1NCCCCn1cc[nH+]c1 ZINC001334972776 959501257 /nfs/dbraw/zinc/50/12/57/959501257.db2.gz KAUQLQYKOSFHGT-UHFFFAOYSA-N 1 2 264.289 1.417 20 5 CDBDLO O=C(C[N@H+]1CC=CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611517462 346808426 /nfs/dbraw/zinc/80/84/26/346808426.db2.gz FLHHAEGRWXQVSU-UHFFFAOYSA-N 1 2 287.319 1.746 20 5 CDBDLO O=C(C[N@@H+]1CC=CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611517462 346808428 /nfs/dbraw/zinc/80/84/28/346808428.db2.gz FLHHAEGRWXQVSU-UHFFFAOYSA-N 1 2 287.319 1.746 20 5 CDBDLO C[C@H]([C@H](C)Nc1cccnc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000609192742 342093376 /nfs/dbraw/zinc/09/33/76/342093376.db2.gz IYAODLFCCQPRNN-WDEREUQCSA-N 1 2 280.328 1.511 20 5 CDBDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000047931502 342146777 /nfs/dbraw/zinc/14/67/77/342146777.db2.gz GEGZJAICATVEHN-NSHDSACASA-N 1 2 288.307 1.918 20 5 CDBDLO Cc1noc(C[N@H+](CCCO)C2CC2)c1[N+](=O)[O-] ZINC000595319576 343034929 /nfs/dbraw/zinc/03/49/29/343034929.db2.gz SCJDJAAUOAPLRK-UHFFFAOYSA-N 1 2 255.274 1.238 20 5 CDBDLO Cc1noc(C[N@@H+](CCCO)C2CC2)c1[N+](=O)[O-] ZINC000595319576 343034931 /nfs/dbraw/zinc/03/49/31/343034931.db2.gz SCJDJAAUOAPLRK-UHFFFAOYSA-N 1 2 255.274 1.238 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634146 343122526 /nfs/dbraw/zinc/12/25/26/343122526.db2.gz BYRCTJGHUUARCE-NTZNESFSSA-N 1 2 292.335 1.893 20 5 CDBDLO COC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000079499943 342345272 /nfs/dbraw/zinc/34/52/72/342345272.db2.gz VSNACGXLLHDHMD-UHFFFAOYSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000079499943 342345273 /nfs/dbraw/zinc/34/52/73/342345273.db2.gz VSNACGXLLHDHMD-UHFFFAOYSA-N 1 2 294.307 1.611 20 5 CDBDLO CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000084713791 342380473 /nfs/dbraw/zinc/38/04/73/342380473.db2.gz IXKVXTNOHPEOJP-NSHDSACASA-N 1 2 292.339 1.613 20 5 CDBDLO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000090884205 342397737 /nfs/dbraw/zinc/39/77/37/342397737.db2.gz JMDQMXRPIPFKSU-ZWNOBZJWSA-N 1 2 290.323 1.713 20 5 CDBDLO Cn1cc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])nn1 ZINC000597210926 343475637 /nfs/dbraw/zinc/47/56/37/343475637.db2.gz OSFUYNANYZKJTI-FNORWQNLSA-N 1 2 287.323 1.869 20 5 CDBDLO Cn1cc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])nn1 ZINC000597210926 343475640 /nfs/dbraw/zinc/47/56/40/343475640.db2.gz OSFUYNANYZKJTI-FNORWQNLSA-N 1 2 287.323 1.869 20 5 CDBDLO O=C(NCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073154687 362256114 /nfs/dbraw/zinc/25/61/14/362256114.db2.gz NLXHNMJRZXSOGO-UHFFFAOYSA-N 1 2 296.233 1.775 20 5 CDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599161353 343971689 /nfs/dbraw/zinc/97/16/89/343971689.db2.gz PMJAONLXSQECGW-VIFPVBQESA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCOC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599161353 343971690 /nfs/dbraw/zinc/97/16/90/343971690.db2.gz PMJAONLXSQECGW-VIFPVBQESA-N 1 2 286.719 1.386 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])s1 ZINC000604409250 344888411 /nfs/dbraw/zinc/88/84/11/344888411.db2.gz IZQMZBBVNRRUCI-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000222366533 345221428 /nfs/dbraw/zinc/22/14/28/345221428.db2.gz HXRSESRDZYNAMO-JTQLQIEISA-N 1 2 295.339 1.761 20 5 CDBDLO CC(=O)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054173118 347817748 /nfs/dbraw/zinc/81/77/48/347817748.db2.gz DAWISOLIUBAYTH-UHFFFAOYSA-N 1 2 283.353 1.711 20 5 CDBDLO CC(=O)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054173118 347817751 /nfs/dbraw/zinc/81/77/51/347817751.db2.gz DAWISOLIUBAYTH-UHFFFAOYSA-N 1 2 283.353 1.711 20 5 CDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)CC1 ZINC000067472023 349027236 /nfs/dbraw/zinc/02/72/36/349027236.db2.gz HDUWDPYOGMAHTQ-JTQLQIEISA-N 1 2 293.323 1.379 20 5 CDBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)s1 ZINC000066410706 350829892 /nfs/dbraw/zinc/82/98/92/350829892.db2.gz NALXAGMIXOFCNL-UHFFFAOYSA-N 1 2 257.315 1.400 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)c1 ZINC000152528878 188026585 /nfs/dbraw/zinc/02/65/85/188026585.db2.gz GRLQVRSTVGEGHK-NSHDSACASA-N 1 2 290.279 1.211 20 5 CDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)c1 ZINC000152528878 188026587 /nfs/dbraw/zinc/02/65/87/188026587.db2.gz GRLQVRSTVGEGHK-NSHDSACASA-N 1 2 290.279 1.211 20 5 CDBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)cc1[N+](=O)[O-] ZINC000271830540 191353846 /nfs/dbraw/zinc/35/38/46/191353846.db2.gz WQZKXZWTXWKMEZ-MRVPVSSYSA-N 1 2 277.284 1.165 20 5 CDBDLO O=[N+]([O-])c1cc2c(ncnc2NCCn2cc[nH+]c2)s1 ZINC000336841351 356293980 /nfs/dbraw/zinc/29/39/80/356293980.db2.gz RPBFAQXHLQAOEA-UHFFFAOYSA-N 1 2 290.308 1.908 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000048336737 356789844 /nfs/dbraw/zinc/78/98/44/356789844.db2.gz XNNBILOTPALYQT-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000331355538 357920834 /nfs/dbraw/zinc/92/08/34/357920834.db2.gz QTXSAWJLDMVRAK-JTQLQIEISA-N 1 2 283.353 1.803 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000331355538 357920839 /nfs/dbraw/zinc/92/08/39/357920839.db2.gz QTXSAWJLDMVRAK-JTQLQIEISA-N 1 2 283.353 1.803 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294848120 199212236 /nfs/dbraw/zinc/21/22/36/199212236.db2.gz RVGBPCRAUWEBLQ-UHFFFAOYSA-N 1 2 273.296 1.880 20 5 CDBDLO Nc1cc(N)[nH+]c(SCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000436476725 358742975 /nfs/dbraw/zinc/74/29/75/358742975.db2.gz UJAUCIJPGDRLAV-UHFFFAOYSA-N 1 2 293.308 1.377 20 5 CDBDLO CC(C)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000338880117 359191303 /nfs/dbraw/zinc/19/13/03/359191303.db2.gz IKNBAQWCSORKHN-VIFPVBQESA-N 1 2 292.299 1.179 20 5 CDBDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339057183 359283376 /nfs/dbraw/zinc/28/33/76/359283376.db2.gz RMJPZGLTCKNYFS-KCJUWKMLSA-N 1 2 252.270 1.256 20 5 CDBDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339057183 359283378 /nfs/dbraw/zinc/28/33/78/359283378.db2.gz RMJPZGLTCKNYFS-KCJUWKMLSA-N 1 2 252.270 1.256 20 5 CDBDLO CCOC(=O)C(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000339789286 359444386 /nfs/dbraw/zinc/44/43/86/359444386.db2.gz WZCSOAFOAYUTDI-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO CCOC(=O)C(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000339789286 359444391 /nfs/dbraw/zinc/44/43/91/359444391.db2.gz WZCSOAFOAYUTDI-UHFFFAOYSA-N 1 2 284.316 1.065 20 5 CDBDLO Nc1c(C(=O)NCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000157301386 237099998 /nfs/dbraw/zinc/09/99/98/237099998.db2.gz DJTLSKWVZFCLFO-UHFFFAOYSA-N 1 2 289.295 1.194 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCNC1=O ZINC000340226654 359615158 /nfs/dbraw/zinc/61/51/58/359615158.db2.gz SAYVDUIDJPAAJA-NSHDSACASA-N 1 2 267.260 1.054 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCNC1=O ZINC000340226654 359615160 /nfs/dbraw/zinc/61/51/60/359615160.db2.gz SAYVDUIDJPAAJA-NSHDSACASA-N 1 2 267.260 1.054 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCn2c[nH+]cc2C1 ZINC000365702290 360100139 /nfs/dbraw/zinc/10/01/39/360100139.db2.gz AVRNKTASQPAGNF-UHFFFAOYSA-N 1 2 272.264 1.447 20 5 CDBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nnc[nH]1 ZINC000177147224 189032101 /nfs/dbraw/zinc/03/21/01/189032101.db2.gz BZBWZVJHNJWBPY-UHFFFAOYSA-N 1 2 291.311 1.614 20 5 CDBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nnc[nH]1 ZINC000177147224 189032102 /nfs/dbraw/zinc/03/21/02/189032102.db2.gz BZBWZVJHNJWBPY-UHFFFAOYSA-N 1 2 291.311 1.614 20 5 CDBDLO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262271285 296023903 /nfs/dbraw/zinc/02/39/03/296023903.db2.gz VVHCETMBGRATSQ-KOLCDFICSA-N 1 2 293.323 1.642 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000042375595 364570592 /nfs/dbraw/zinc/57/05/92/364570592.db2.gz AIDCXHJWJVKZBR-VIFPVBQESA-N 1 2 289.295 1.391 20 5 CDBDLO COC[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413151828 240543787 /nfs/dbraw/zinc/54/37/87/240543787.db2.gz XVNVIZXKPXBOJV-LLVKDONJSA-N 1 2 277.280 1.562 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089151880 370135359 /nfs/dbraw/zinc/13/53/59/370135359.db2.gz JSEAOMJKHFFGAK-GJZGRUSLSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089151880 370135363 /nfs/dbraw/zinc/13/53/63/370135363.db2.gz JSEAOMJKHFFGAK-GJZGRUSLSA-N 1 2 292.335 1.975 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1-n1c[nH+]c(CCCO)c1 ZINC000619480724 374179112 /nfs/dbraw/zinc/17/91/12/374179112.db2.gz PZQIODPXWKUCAO-UHFFFAOYSA-N 1 2 279.300 1.230 20 5 CDBDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282376285 375082403 /nfs/dbraw/zinc/08/24/03/375082403.db2.gz CKWPOCVUEOKMRP-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282376285 375082411 /nfs/dbraw/zinc/08/24/11/375082411.db2.gz CKWPOCVUEOKMRP-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000350562379 375213101 /nfs/dbraw/zinc/21/31/01/375213101.db2.gz ZKMOSKQKZFAHOZ-UHFFFAOYSA-N 1 2 275.268 1.650 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351604102 375311209 /nfs/dbraw/zinc/31/12/09/375311209.db2.gz DEHYPWSJOULHOM-UHFFFAOYSA-N 1 2 279.231 1.779 20 5 CDBDLO CC(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000351891120 375339703 /nfs/dbraw/zinc/33/97/03/375339703.db2.gz WWRCVSKJQHCLOX-UHFFFAOYSA-N 1 2 263.297 1.915 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352815718 375541254 /nfs/dbraw/zinc/54/12/54/375541254.db2.gz MTXTUTMVCXYEFF-OLZOCXBDSA-N 1 2 296.323 1.185 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352815718 375541257 /nfs/dbraw/zinc/54/12/57/375541257.db2.gz MTXTUTMVCXYEFF-OLZOCXBDSA-N 1 2 296.323 1.185 20 5 CDBDLO Cn1ncc2c1nc[nH+]c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000058093735 375657132 /nfs/dbraw/zinc/65/71/32/375657132.db2.gz VSYLCHHFDJFJJY-UHFFFAOYSA-N 1 2 298.306 1.926 20 5 CDBDLO CCOC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296347702 375831049 /nfs/dbraw/zinc/83/10/49/375831049.db2.gz UQZHBWDLUQYDNE-LLVKDONJSA-N 1 2 296.323 1.055 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000493125633 253377319 /nfs/dbraw/zinc/37/73/19/253377319.db2.gz PMYRZILYQPJLEX-UPHRSURJSA-N 1 2 299.290 1.311 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000156371839 390213083 /nfs/dbraw/zinc/21/30/83/390213083.db2.gz PJNFRBBWXMUIKP-LBPRGKRZSA-N 1 2 277.324 1.614 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000156371839 390213087 /nfs/dbraw/zinc/21/30/87/390213087.db2.gz PJNFRBBWXMUIKP-LBPRGKRZSA-N 1 2 277.324 1.614 20 5 CDBDLO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262369182 131215113 /nfs/dbraw/zinc/21/51/13/131215113.db2.gz LLUKFUCCGSIZON-WPRPVWTQSA-N 1 2 279.296 1.028 20 5 CDBDLO O=[N+]([O-])c1cn(Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000175936866 148013950 /nfs/dbraw/zinc/01/39/50/148013950.db2.gz QSMAEBJMDWBGRH-UHFFFAOYSA-N 1 2 270.252 1.420 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000305749152 149152495 /nfs/dbraw/zinc/15/24/95/149152495.db2.gz WWTPUABOLHKHJK-YPMHNXCESA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000305749152 149152497 /nfs/dbraw/zinc/15/24/97/149152497.db2.gz WWTPUABOLHKHJK-YPMHNXCESA-N 1 2 280.324 1.485 20 5 CDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000313785756 149247232 /nfs/dbraw/zinc/24/72/32/149247232.db2.gz BTBZRFNVDNXCTD-DGCLKSJQSA-N 1 2 293.298 1.444 20 5 CDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000313785756 149247233 /nfs/dbraw/zinc/24/72/33/149247233.db2.gz BTBZRFNVDNXCTD-DGCLKSJQSA-N 1 2 293.298 1.444 20 5 CDBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346724796 153286585 /nfs/dbraw/zinc/28/65/85/153286585.db2.gz WPHMDVOVIHTTAH-UHFFFAOYSA-N 1 2 262.225 1.579 20 5 CDBDLO NC(=O)c1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC000350358946 154368792 /nfs/dbraw/zinc/36/87/92/154368792.db2.gz RNWAYKJUAZHODE-UHFFFAOYSA-N 1 2 282.281 1.033 20 5 CDBDLO CCOCC[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355937458 157291272 /nfs/dbraw/zinc/29/12/72/157291272.db2.gz UUFXOLFRRBYFDZ-UHFFFAOYSA-N 1 2 256.306 1.187 20 5 CDBDLO CCOCC[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355937458 157291274 /nfs/dbraw/zinc/29/12/74/157291274.db2.gz UUFXOLFRRBYFDZ-UHFFFAOYSA-N 1 2 256.306 1.187 20 5 CDBDLO COc1c(C(=O)Nc2cc[nH+]c(C)c2)cccc1[N+](=O)[O-] ZINC000355991516 157309064 /nfs/dbraw/zinc/30/90/64/157309064.db2.gz QNMMEVJUJLSRSS-UHFFFAOYSA-N 1 2 287.275 1.981 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000358596569 157969876 /nfs/dbraw/zinc/96/98/76/157969876.db2.gz WEBBGUNWSKBRHX-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO Cc1noc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000285717452 279255698 /nfs/dbraw/zinc/25/56/98/279255698.db2.gz PYBFDEITOGBNMP-JTQLQIEISA-N 1 2 292.299 1.320 20 5 CDBDLO Cc1noc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000285717452 279255699 /nfs/dbraw/zinc/25/56/99/279255699.db2.gz PYBFDEITOGBNMP-JTQLQIEISA-N 1 2 292.299 1.320 20 5 CDBDLO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000281689635 289098838 /nfs/dbraw/zinc/09/88/38/289098838.db2.gz LHTXCFLZCRPIPY-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO C[NH2+]Cc1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000562742354 293189116 /nfs/dbraw/zinc/18/91/16/293189116.db2.gz KMVIUYMYHGMMGO-MRVPVSSYSA-N 1 2 262.269 1.849 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182036389 295111843 /nfs/dbraw/zinc/11/18/43/295111843.db2.gz CUVAUONKBGFWLY-NSHDSACASA-N 1 2 283.715 1.698 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182036389 295111848 /nfs/dbraw/zinc/11/18/48/295111848.db2.gz CUVAUONKBGFWLY-NSHDSACASA-N 1 2 283.715 1.698 20 5 CDBDLO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000163754668 520482558 /nfs/dbraw/zinc/48/25/58/520482558.db2.gz IFJPSZNNNPMOHH-LBPRGKRZSA-N 1 2 280.324 1.567 20 5 CDBDLO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000163754668 520482563 /nfs/dbraw/zinc/48/25/63/520482563.db2.gz IFJPSZNNNPMOHH-LBPRGKRZSA-N 1 2 280.324 1.567 20 5 CDBDLO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1[nH]cc[nH+]1 ZINC000141728748 522794745 /nfs/dbraw/zinc/79/47/45/522794745.db2.gz XJARZCQOKDKDIB-SECBINFHSA-N 1 2 289.295 1.781 20 5 CDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H](C)[NH3+] ZINC000235486950 524247534 /nfs/dbraw/zinc/24/75/34/524247534.db2.gz UPAXNRLPAOHTOZ-RQJHMYQMSA-N 1 2 253.258 1.222 20 5 CDBDLO COc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000136477410 524618681 /nfs/dbraw/zinc/61/86/81/524618681.db2.gz WCQPJLJUBKRFCL-MRVPVSSYSA-N 1 2 283.309 1.204 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000061710209 527355781 /nfs/dbraw/zinc/35/57/81/527355781.db2.gz IJOZFLLEPMWOKP-JTQLQIEISA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000061710209 527355786 /nfs/dbraw/zinc/35/57/86/527355786.db2.gz IJOZFLLEPMWOKP-JTQLQIEISA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000743408101 576638768 /nfs/dbraw/zinc/63/87/68/576638768.db2.gz VSILOCOBQAFFHV-UHFFFAOYSA-N 1 2 280.328 1.640 20 5 CDBDLO CC(C)C1(O)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000773895022 575843997 /nfs/dbraw/zinc/84/39/97/575843997.db2.gz PWCVFDOSOSGHKE-CYBMUJFWSA-N 1 2 280.324 1.331 20 5 CDBDLO Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000763107883 576713284 /nfs/dbraw/zinc/71/32/84/576713284.db2.gz GIAVAPPBGVIWSF-UHFFFAOYSA-N 1 2 275.264 1.957 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C ZINC000895803782 619852700 /nfs/dbraw/zinc/85/27/00/619852700.db2.gz FLJVKXPGOSBDEX-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001575107876 1171114743 /nfs/dbraw/zinc/11/47/43/1171114743.db2.gz LCCKHAAHVGVGES-LLVKDONJSA-N 1 2 281.312 1.404 20 5 CDBDLO COc1ccc(C[NH2+][C@H](C)c2cnn(C)n2)cc1[N+](=O)[O-] ZINC000924841962 751899260 /nfs/dbraw/zinc/89/92/60/751899260.db2.gz MAAPCVVIVCRVMS-SECBINFHSA-N 1 2 291.311 1.583 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000842617191 750056595 /nfs/dbraw/zinc/05/65/95/750056595.db2.gz JPSJAPBMTUPGNX-AWEZNQCLSA-N 1 2 288.307 1.902 20 5 CDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000842617191 750056598 /nfs/dbraw/zinc/05/65/98/750056598.db2.gz JPSJAPBMTUPGNX-AWEZNQCLSA-N 1 2 288.307 1.902 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000715852187 751252514 /nfs/dbraw/zinc/25/25/14/751252514.db2.gz GORJYPVBWZFAGV-VIFPVBQESA-N 1 2 261.285 1.574 20 5 CDBDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819904902 753026866 /nfs/dbraw/zinc/02/68/66/753026866.db2.gz FWURBVZZTKOSCO-UHFFFAOYSA-N 1 2 289.295 1.482 20 5 CDBDLO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615861 753225841 /nfs/dbraw/zinc/22/58/41/753225841.db2.gz ZILCHDKZSMXWQS-QMMMGPOBSA-N 1 2 276.300 1.156 20 5 CDBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1c[nH+]cn1C(C)C ZINC001161565098 907548800 /nfs/dbraw/zinc/54/88/00/907548800.db2.gz JVWSKHYBAATKKG-UHFFFAOYSA-N 1 2 291.311 1.926 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001169130090 927745335 /nfs/dbraw/zinc/74/53/35/927745335.db2.gz JIJAMGYOKOVACC-KOLCDFICSA-N 1 2 279.296 1.219 20 5 CDBDLO CC(C)[N@H+](CC[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000930473408 933381941 /nfs/dbraw/zinc/38/19/41/933381941.db2.gz NTHPERKJFLLGGY-UHFFFAOYSA-N 1 2 271.361 1.376 20 5 CDBDLO CC(C)[N@@H+](CC[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000930473408 933381950 /nfs/dbraw/zinc/38/19/50/933381950.db2.gz NTHPERKJFLLGGY-UHFFFAOYSA-N 1 2 271.361 1.376 20 5 CDBDLO Cc1nc(Cl)c([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)n1 ZINC001156755475 938414157 /nfs/dbraw/zinc/41/41/57/938414157.db2.gz BVJLQIXFUSBCHD-UHFFFAOYSA-N 1 2 294.702 1.936 20 5 CDBDLO CCN(c1nc(Cl)ncc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157454295 938494560 /nfs/dbraw/zinc/49/45/60/938494560.db2.gz UBVOKUFDJBTELQ-UHFFFAOYSA-N 1 2 271.708 1.179 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225434753 941859128 /nfs/dbraw/zinc/85/91/28/941859128.db2.gz KMTAHHLHDPRZLB-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225434753 941859132 /nfs/dbraw/zinc/85/91/32/941859132.db2.gz KMTAHHLHDPRZLB-QMMMGPOBSA-N 1 2 287.703 1.353 20 5 CDBDLO CC(C)(C)[NH+]1CC(Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227693169 942204913 /nfs/dbraw/zinc/20/49/13/942204913.db2.gz MYOSVBRAGLKFAA-UHFFFAOYSA-N 1 2 291.311 1.728 20 5 CDBDLO Nc1[nH+]cccc1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001307404497 956407330 /nfs/dbraw/zinc/40/73/30/956407330.db2.gz NDQDGUBCJSFPPZ-UHFFFAOYSA-N 1 2 297.278 1.274 20 5 CDBDLO Cn1cc([C@H]([NH2+]CC[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC001332921522 957943510 /nfs/dbraw/zinc/94/35/10/957943510.db2.gz FXMZHQKCSJLKNK-CYBMUJFWSA-N 1 2 278.287 1.515 20 5 CDBDLO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577878523 1171756449 /nfs/dbraw/zinc/75/64/49/1171756449.db2.gz WGODVDSDPUEBCY-ZYHUDNBSSA-N 1 2 263.297 1.400 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567918 342576194 /nfs/dbraw/zinc/57/61/94/342576194.db2.gz XLZHKORAMASJGG-UHFFFAOYSA-N 1 2 259.269 1.584 20 5 CDBDLO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235285215 342049056 /nfs/dbraw/zinc/04/90/56/342049056.db2.gz XDNGBPNMKIZPQS-IONNQARKSA-N 1 2 265.269 1.237 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000121380947 342088268 /nfs/dbraw/zinc/08/82/68/342088268.db2.gz XWOCWUAVSHNDSU-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO C[NH+]1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000618920855 349556111 /nfs/dbraw/zinc/55/61/11/349556111.db2.gz BXMPUNRPLNCDHB-UHFFFAOYSA-N 1 2 291.307 1.078 20 5 CDBDLO C[C@@H](O)C[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000289973478 361927862 /nfs/dbraw/zinc/92/78/62/361927862.db2.gz XGVKPORWEXNKDP-MRVPVSSYSA-N 1 2 290.266 1.048 20 5 CDBDLO C[C@@H](O)C[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000289973478 361927864 /nfs/dbraw/zinc/92/78/64/361927864.db2.gz XGVKPORWEXNKDP-MRVPVSSYSA-N 1 2 290.266 1.048 20 5 CDBDLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595764546 343144575 /nfs/dbraw/zinc/14/45/75/343144575.db2.gz BFURIECGZXVGTR-BXKDBHETSA-N 1 2 266.297 1.646 20 5 CDBDLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595764546 343144577 /nfs/dbraw/zinc/14/45/77/343144577.db2.gz BFURIECGZXVGTR-BXKDBHETSA-N 1 2 266.297 1.646 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(=O)n1CCc1c[nH+]cn1C ZINC000596268149 343280819 /nfs/dbraw/zinc/28/08/19/343280819.db2.gz HDIADMIPUWACGB-UHFFFAOYSA-N 1 2 262.269 1.041 20 5 CDBDLO O=C1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)N1 ZINC000596495982 343332139 /nfs/dbraw/zinc/33/21/39/343332139.db2.gz IPXXJBIOAXFQTF-JTQLQIEISA-N 1 2 286.291 1.834 20 5 CDBDLO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436979239 362241183 /nfs/dbraw/zinc/24/11/83/362241183.db2.gz LEFGPTAHDYMRFQ-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436979239 362241187 /nfs/dbraw/zinc/24/11/87/362241187.db2.gz LEFGPTAHDYMRFQ-JTQLQIEISA-N 1 2 293.323 1.467 20 5 CDBDLO CCn1cc[nH+]c1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000294997871 199291221 /nfs/dbraw/zinc/29/12/21/199291221.db2.gz NXCMFRVGLIDOQA-UHFFFAOYSA-N 1 2 278.316 1.948 20 5 CDBDLO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000618915862 345490145 /nfs/dbraw/zinc/49/01/45/345490145.db2.gz LYFNKIQGUXHNDE-VXGBXAGGSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000611177106 346632146 /nfs/dbraw/zinc/63/21/46/346632146.db2.gz QXMXAQMFWXDGKS-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000611177106 346632149 /nfs/dbraw/zinc/63/21/49/346632149.db2.gz QXMXAQMFWXDGKS-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO CC[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611271117 346731816 /nfs/dbraw/zinc/73/18/16/346731816.db2.gz GQTSYXUOJSIASI-LLVKDONJSA-N 1 2 279.340 1.826 20 5 CDBDLO CC[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611271117 346731817 /nfs/dbraw/zinc/73/18/17/346731817.db2.gz GQTSYXUOJSIASI-LLVKDONJSA-N 1 2 279.340 1.826 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311635351 350701383 /nfs/dbraw/zinc/70/13/83/350701383.db2.gz WJTYKTQBOWAVGK-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311635351 350701385 /nfs/dbraw/zinc/70/13/85/350701385.db2.gz WJTYKTQBOWAVGK-QMMMGPOBSA-N 1 2 286.719 1.386 20 5 CDBDLO Cc1nc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000161495175 363094875 /nfs/dbraw/zinc/09/48/75/363094875.db2.gz XZZHKEAWWPIUET-UHFFFAOYSA-N 1 2 266.301 1.042 20 5 CDBDLO CN(C)C(=O)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413028548 363193663 /nfs/dbraw/zinc/19/36/63/363193663.db2.gz PNJHZGOHTNJFLH-UHFFFAOYSA-N 1 2 288.307 1.667 20 5 CDBDLO O=C(Nc1cc[nH+]cc1O)c1ccc([N+](=O)[O-])cc1 ZINC000109891351 358475974 /nfs/dbraw/zinc/47/59/74/358475974.db2.gz UZJHUKJIBQQHDK-UHFFFAOYSA-N 1 2 259.221 1.948 20 5 CDBDLO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286209431 356235247 /nfs/dbraw/zinc/23/52/47/356235247.db2.gz SNZLXYSSMFLVQH-WPRPVWTQSA-N 1 2 279.296 1.028 20 5 CDBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181019715 357303887 /nfs/dbraw/zinc/30/38/87/357303887.db2.gz WVMALHKYUDHZIY-GFCCVEGCSA-N 1 2 298.343 1.359 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000380198569 357366145 /nfs/dbraw/zinc/36/61/45/357366145.db2.gz DPEODINAXISSAF-UHFFFAOYSA-N 1 2 274.280 1.865 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104672246 283389737 /nfs/dbraw/zinc/38/97/37/283389737.db2.gz QMRUJJGULQPKPB-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000104672246 283389740 /nfs/dbraw/zinc/38/97/40/283389740.db2.gz QMRUJJGULQPKPB-ZDUSSCGKSA-N 1 2 277.324 1.695 20 5 CDBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000051562685 358899541 /nfs/dbraw/zinc/89/95/41/358899541.db2.gz ZIZZHIKIQATBKQ-SNVBAGLBSA-N 1 2 279.296 1.053 20 5 CDBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000051562685 358899543 /nfs/dbraw/zinc/89/95/43/358899543.db2.gz ZIZZHIKIQATBKQ-SNVBAGLBSA-N 1 2 279.296 1.053 20 5 CDBDLO Cc1c(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104064048 358943577 /nfs/dbraw/zinc/94/35/77/358943577.db2.gz HEXVNPZHZNYUNF-CQSZACIVSA-N 1 2 291.351 1.860 20 5 CDBDLO Cc1c(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104064048 358943582 /nfs/dbraw/zinc/94/35/82/358943582.db2.gz HEXVNPZHZNYUNF-CQSZACIVSA-N 1 2 291.351 1.860 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000030989613 359113171 /nfs/dbraw/zinc/11/31/71/359113171.db2.gz UQOVLMTZQMNWTQ-UHFFFAOYSA-N 1 2 275.268 1.613 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297138032 200095773 /nfs/dbraw/zinc/09/57/73/200095773.db2.gz QLSYFIAPDOFEQV-UHFFFAOYSA-N 1 2 277.324 1.726 20 5 CDBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000191768276 361299353 /nfs/dbraw/zinc/29/93/53/361299353.db2.gz HIABRKVZNNJEQZ-GXFFZTMASA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000191768276 361299356 /nfs/dbraw/zinc/29/93/56/361299356.db2.gz HIABRKVZNNJEQZ-GXFFZTMASA-N 1 2 266.297 1.176 20 5 CDBDLO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063696768 361409928 /nfs/dbraw/zinc/40/99/28/361409928.db2.gz XBZDRZZRPOPROJ-UHFFFAOYSA-N 1 2 281.312 1.372 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000179075551 364981040 /nfs/dbraw/zinc/98/10/40/364981040.db2.gz CIUHIIAGCSQALB-GFCCVEGCSA-N 1 2 276.340 1.315 20 5 CDBDLO O=C(Nc1cc[nH+]cc1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000135400539 369677154 /nfs/dbraw/zinc/67/71/54/369677154.db2.gz LYXJYKHINOKNAR-UHFFFAOYSA-N 1 2 299.246 1.824 20 5 CDBDLO CCN(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298468919 373663928 /nfs/dbraw/zinc/66/39/28/373663928.db2.gz OWPYNRVBBXFQNQ-UHFFFAOYSA-N 1 2 265.313 1.505 20 5 CDBDLO CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298468919 373663936 /nfs/dbraw/zinc/66/39/36/373663936.db2.gz OWPYNRVBBXFQNQ-UHFFFAOYSA-N 1 2 265.313 1.505 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420958850 374307457 /nfs/dbraw/zinc/30/74/57/374307457.db2.gz POJHGOBDLDCDDP-NSHDSACASA-N 1 2 279.296 1.011 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420958850 374307466 /nfs/dbraw/zinc/30/74/66/374307466.db2.gz POJHGOBDLDCDDP-NSHDSACASA-N 1 2 279.296 1.011 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1C ZINC000421765392 374330279 /nfs/dbraw/zinc/33/02/79/374330279.db2.gz YQMQUKVZEBISPV-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000093137869 374732183 /nfs/dbraw/zinc/73/21/83/374732183.db2.gz QUYWZSNOCDDLQN-LLVKDONJSA-N 1 2 295.339 1.225 20 5 CDBDLO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000093137869 374732192 /nfs/dbraw/zinc/73/21/92/374732192.db2.gz QUYWZSNOCDDLQN-LLVKDONJSA-N 1 2 295.339 1.225 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000331100180 374888092 /nfs/dbraw/zinc/88/80/92/374888092.db2.gz BCYNREWDEJEEHD-CQSZACIVSA-N 1 2 293.323 1.298 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000331100180 374888099 /nfs/dbraw/zinc/88/80/99/374888099.db2.gz BCYNREWDEJEEHD-CQSZACIVSA-N 1 2 293.323 1.298 20 5 CDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000331360809 374939742 /nfs/dbraw/zinc/93/97/42/374939742.db2.gz YGSHFXWCWDBYID-UHFFFAOYSA-N 1 2 297.311 1.028 20 5 CDBDLO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000280348031 374992562 /nfs/dbraw/zinc/99/25/62/374992562.db2.gz WUFCDNKQBBCTEN-UHFFFAOYSA-N 1 2 291.307 1.292 20 5 CDBDLO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000280348031 374992572 /nfs/dbraw/zinc/99/25/72/374992572.db2.gz WUFCDNKQBBCTEN-UHFFFAOYSA-N 1 2 291.307 1.292 20 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OYQWARSFOBNTNV-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001155194124 937647859 /nfs/dbraw/zinc/64/78/59/937647859.db2.gz OYQWARSFOBNTNV-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO [NH3+][C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)F ZINC001121888065 937887195 /nfs/dbraw/zinc/88/71/95/937887195.db2.gz PNAWZSXCYMDABR-SECBINFHSA-N 1 2 287.266 1.236 20 5 CDBDLO O=[N+]([O-])c1cnc2ccc(NCCCn3cc[nH+]c3)cn21 ZINC001161684675 938920492 /nfs/dbraw/zinc/92/04/92/938920492.db2.gz IXTOOHJWXYIDNW-UHFFFAOYSA-N 1 2 286.295 1.941 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488887 939478224 /nfs/dbraw/zinc/47/82/24/939478224.db2.gz PKJGZFRSONRHRT-UHFFFAOYSA-N 1 2 272.255 1.343 20 5 CDBDLO CC[NH+]1CC(Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434544 942004539 /nfs/dbraw/zinc/00/45/39/942004539.db2.gz MVDXXZZXQUQPDP-UHFFFAOYSA-N 1 2 274.280 1.621 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115839 942421182 /nfs/dbraw/zinc/42/11/82/942421182.db2.gz SKOSDDCLYFUGBE-UZYOAWRESA-N 1 2 278.308 1.643 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115839 942421184 /nfs/dbraw/zinc/42/11/84/942421184.db2.gz SKOSDDCLYFUGBE-UZYOAWRESA-N 1 2 278.308 1.643 20 5 CDBDLO CC(=O)N(C)C1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598015 947547746 /nfs/dbraw/zinc/54/77/46/947547746.db2.gz GLJPDHAHOARBAP-CQSZACIVSA-N 1 2 289.335 1.225 20 5 CDBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001333007502 958013355 /nfs/dbraw/zinc/01/33/55/958013355.db2.gz YBFYKPAXGZJUPV-SNVBAGLBSA-N 1 2 269.276 1.341 20 5 CDBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001333007502 958013368 /nfs/dbraw/zinc/01/33/68/958013368.db2.gz YBFYKPAXGZJUPV-SNVBAGLBSA-N 1 2 269.276 1.341 20 5 CDBDLO C[C@H](CNc1c([N+](=O)[O-])cnn1C)Cn1cc[nH+]c1 ZINC001342828379 963834422 /nfs/dbraw/zinc/83/44/22/963834422.db2.gz BGBWYINOBUBHPL-SECBINFHSA-N 1 2 264.289 1.273 20 5 CDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000565414878 365651388 /nfs/dbraw/zinc/65/13/88/365651388.db2.gz BKRBDGZTJNNUCK-UHFFFAOYSA-N 1 2 268.254 1.119 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609150190 342092407 /nfs/dbraw/zinc/09/24/07/342092407.db2.gz VISSSKCRMYTKNK-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609150190 342092408 /nfs/dbraw/zinc/09/24/08/342092408.db2.gz VISSSKCRMYTKNK-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000078502103 342204423 /nfs/dbraw/zinc/20/44/23/342204423.db2.gz QGZCGQPJWFTASD-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO CCOC(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595290860 343024909 /nfs/dbraw/zinc/02/49/09/343024909.db2.gz FNXCKHHYNPBFHB-UHFFFAOYSA-N 1 2 297.311 1.666 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295422 343026437 /nfs/dbraw/zinc/02/64/37/343026437.db2.gz MDMPSNAMVDLCKE-NSHDSACASA-N 1 2 281.287 1.444 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295422 343026438 /nfs/dbraw/zinc/02/64/38/343026438.db2.gz MDMPSNAMVDLCKE-NSHDSACASA-N 1 2 281.287 1.444 20 5 CDBDLO Cc1nn(C)c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596431556 343319406 /nfs/dbraw/zinc/31/94/06/343319406.db2.gz OZJZIPYJGKHNGM-ZJUUUORDSA-N 1 2 297.359 1.158 20 5 CDBDLO Cc1nn(C)c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596431556 343319408 /nfs/dbraw/zinc/31/94/08/343319408.db2.gz OZJZIPYJGKHNGM-ZJUUUORDSA-N 1 2 297.359 1.158 20 5 CDBDLO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596544118 343347072 /nfs/dbraw/zinc/34/70/72/343347072.db2.gz YRRYLVRAXZSWKK-ZETCQYMHSA-N 1 2 281.703 1.972 20 5 CDBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000118762870 342429454 /nfs/dbraw/zinc/42/94/54/342429454.db2.gz GADDXIBDKFXWOM-UHFFFAOYSA-N 1 2 265.313 1.363 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1[nH+]ccn1C ZINC000598460204 343804929 /nfs/dbraw/zinc/80/49/29/343804929.db2.gz SNTJVCRSSVJQNU-QMMMGPOBSA-N 1 2 277.284 1.158 20 5 CDBDLO CCn1nncc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598987401 343934790 /nfs/dbraw/zinc/93/47/90/343934790.db2.gz UFCHZESOVKLUCG-UHFFFAOYSA-N 1 2 267.314 1.558 20 5 CDBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])cn3)[nH+]c12 ZINC000612785709 347283433 /nfs/dbraw/zinc/28/34/33/347283433.db2.gz FMTHGXOCFIXQQP-UHFFFAOYSA-N 1 2 298.306 1.417 20 5 CDBDLO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000457249377 365914521 /nfs/dbraw/zinc/91/45/21/365914521.db2.gz UIJNJCCKPXOUJK-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000311550173 350692726 /nfs/dbraw/zinc/69/27/26/350692726.db2.gz PKECNVSOMZWROG-QMMMGPOBSA-N 1 2 262.273 1.269 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249695 363271186 /nfs/dbraw/zinc/27/11/86/363271186.db2.gz RYZZYXNHTMUJJK-JTQLQIEISA-N 1 2 286.291 1.992 20 5 CDBDLO Cc1nn(CC[N@@H+]2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188185180 357857256 /nfs/dbraw/zinc/85/72/56/357857256.db2.gz WSYQVSYMSQDBNG-SECBINFHSA-N 1 2 268.317 1.129 20 5 CDBDLO Cc1nn(CC[N@H+]2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188185180 357857258 /nfs/dbraw/zinc/85/72/58/357857258.db2.gz WSYQVSYMSQDBNG-SECBINFHSA-N 1 2 268.317 1.129 20 5 CDBDLO CC(=O)N1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051154256 366495634 /nfs/dbraw/zinc/49/56/34/366495634.db2.gz JZOPHUKCYLDNAE-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO CC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051154256 366495638 /nfs/dbraw/zinc/49/56/38/366495638.db2.gz JZOPHUKCYLDNAE-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO C[C@@H](O)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000291252926 358901683 /nfs/dbraw/zinc/90/16/83/358901683.db2.gz OBDQXHPBQLMREP-SSDOTTSWSA-N 1 2 260.240 1.686 20 5 CDBDLO C[C@@H](O)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000291252926 358901689 /nfs/dbraw/zinc/90/16/89/358901689.db2.gz OBDQXHPBQLMREP-SSDOTTSWSA-N 1 2 260.240 1.686 20 5 CDBDLO Cc1c(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104064044 358944038 /nfs/dbraw/zinc/94/40/38/358944038.db2.gz HEXVNPZHZNYUNF-AWEZNQCLSA-N 1 2 291.351 1.860 20 5 CDBDLO Cc1c(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104064044 358944041 /nfs/dbraw/zinc/94/40/41/358944041.db2.gz HEXVNPZHZNYUNF-AWEZNQCLSA-N 1 2 291.351 1.860 20 5 CDBDLO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339081576 359286006 /nfs/dbraw/zinc/28/60/06/359286006.db2.gz MYKJTAZTBFGHIP-GFCCVEGCSA-N 1 2 268.313 1.797 20 5 CDBDLO CC[C@@H]([NH2+]Cc1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000178155781 189093732 /nfs/dbraw/zinc/09/37/32/189093732.db2.gz OCVCIKAXFJHFNV-GFCCVEGCSA-N 1 2 275.312 1.964 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000348569934 367534208 /nfs/dbraw/zinc/53/42/08/367534208.db2.gz IKVXSSDGVDLPLE-LLVKDONJSA-N 1 2 293.323 1.156 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000348569934 367534215 /nfs/dbraw/zinc/53/42/15/367534215.db2.gz IKVXSSDGVDLPLE-LLVKDONJSA-N 1 2 293.323 1.156 20 5 CDBDLO Cc1nc(NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000133889592 372999719 /nfs/dbraw/zinc/99/97/19/372999719.db2.gz PKNOTOWHMGQAMB-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1nc(NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000133889592 372999725 /nfs/dbraw/zinc/99/97/25/372999725.db2.gz PKNOTOWHMGQAMB-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000130881295 373796575 /nfs/dbraw/zinc/79/65/75/373796575.db2.gz OYHKQBANPDQTLH-UONOGXRCSA-N 1 2 295.314 1.249 20 5 CDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000130881295 373796577 /nfs/dbraw/zinc/79/65/77/373796577.db2.gz OYHKQBANPDQTLH-UONOGXRCSA-N 1 2 295.314 1.249 20 5 CDBDLO CN1CCO[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000130881295 373796583 /nfs/dbraw/zinc/79/65/83/373796583.db2.gz OYHKQBANPDQTLH-UONOGXRCSA-N 1 2 295.314 1.249 20 5 CDBDLO CN1CCO[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000130881295 373796586 /nfs/dbraw/zinc/79/65/86/373796586.db2.gz OYHKQBANPDQTLH-UONOGXRCSA-N 1 2 295.314 1.249 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000274998917 374687356 /nfs/dbraw/zinc/68/73/56/374687356.db2.gz PIBIRXYRVWYGJX-JQWIXIFHSA-N 1 2 296.327 1.065 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000274998917 374687361 /nfs/dbraw/zinc/68/73/61/374687361.db2.gz PIBIRXYRVWYGJX-JQWIXIFHSA-N 1 2 296.327 1.065 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000332381788 375029866 /nfs/dbraw/zinc/02/98/66/375029866.db2.gz VDIWFNBUASIDJO-UHFFFAOYSA-N 1 2 293.323 1.564 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCOCC1 ZINC000332381788 375029875 /nfs/dbraw/zinc/02/98/75/375029875.db2.gz VDIWFNBUASIDJO-UHFFFAOYSA-N 1 2 293.323 1.564 20 5 CDBDLO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000356289531 375831825 /nfs/dbraw/zinc/83/18/25/375831825.db2.gz LPTPQQJNDRUJDF-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1[nH]cc[nH+]1 ZINC000141122994 377259475 /nfs/dbraw/zinc/25/94/75/377259475.db2.gz CWHCUJDNSWOSON-UHFFFAOYSA-N 1 2 274.280 1.599 20 5 CDBDLO COC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000172890963 377787186 /nfs/dbraw/zinc/78/71/86/377787186.db2.gz CTQNZMHCRPZCEZ-LBPRGKRZSA-N 1 2 266.297 1.442 20 5 CDBDLO COC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000172890963 377787193 /nfs/dbraw/zinc/78/71/93/377787193.db2.gz CTQNZMHCRPZCEZ-LBPRGKRZSA-N 1 2 266.297 1.442 20 5 CDBDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000266864701 378083073 /nfs/dbraw/zinc/08/30/73/378083073.db2.gz LVHNPBQQYMDKJI-SNVBAGLBSA-N 1 2 287.323 1.983 20 5 CDBDLO CCOC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471403 378455688 /nfs/dbraw/zinc/45/56/88/378455688.db2.gz MAJHVJSFRVSGJX-JTQLQIEISA-N 1 2 294.311 1.039 20 5 CDBDLO CCOC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471403 378455694 /nfs/dbraw/zinc/45/56/94/378455694.db2.gz MAJHVJSFRVSGJX-JTQLQIEISA-N 1 2 294.311 1.039 20 5 CDBDLO CS(=O)(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443880095 250060006 /nfs/dbraw/zinc/06/00/06/250060006.db2.gz PLHSTLIQGUOVNC-UHFFFAOYSA-N 1 2 299.352 1.116 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000042375596 379583231 /nfs/dbraw/zinc/58/32/31/379583231.db2.gz AIDCXHJWJVKZBR-SECBINFHSA-N 1 2 289.295 1.391 20 5 CDBDLO CCC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000174856515 379592064 /nfs/dbraw/zinc/59/20/64/379592064.db2.gz USSRFEDWCAANSG-GFCCVEGCSA-N 1 2 284.316 1.113 20 5 CDBDLO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000574217125 391106908 /nfs/dbraw/zinc/10/69/08/391106908.db2.gz YHNNWPHWKASXJL-WCBMZHEXSA-N 1 2 279.296 1.252 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3COCCO3)c2c1 ZINC000413072109 391155460 /nfs/dbraw/zinc/15/54/60/391155460.db2.gz NWXLRVKXVNRKAA-GFCCVEGCSA-N 1 2 289.291 1.970 20 5 CDBDLO CN1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413104388 391158260 /nfs/dbraw/zinc/15/82/60/391158260.db2.gz HEAJJEZPZSIHQS-JTQLQIEISA-N 1 2 286.291 1.786 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[NH+]1CCOCC1 ZINC000264487241 131460659 /nfs/dbraw/zinc/46/06/59/131460659.db2.gz RQHSBCJAJPWFEL-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cn1c[nH+]cc1CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000268495204 132016894 /nfs/dbraw/zinc/01/68/94/132016894.db2.gz WEPZAZDNXHKMNZ-UHFFFAOYSA-N 1 2 258.281 1.891 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)C(=O)C1 ZINC000527054950 392973969 /nfs/dbraw/zinc/97/39/69/392973969.db2.gz BAOQQJSUYKBGIO-XYOKQWHBSA-N 1 2 289.335 1.772 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)C(=O)C1 ZINC000527054950 392973973 /nfs/dbraw/zinc/97/39/73/392973973.db2.gz BAOQQJSUYKBGIO-XYOKQWHBSA-N 1 2 289.335 1.772 20 5 CDBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000191521522 393117717 /nfs/dbraw/zinc/11/77/17/393117717.db2.gz NVIUGNFBWQNGRT-FAQJLRJSSA-N 1 2 292.335 1.690 20 5 CDBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000191521522 393117730 /nfs/dbraw/zinc/11/77/30/393117730.db2.gz NVIUGNFBWQNGRT-FAQJLRJSSA-N 1 2 292.335 1.690 20 5 CDBDLO Cc1c(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000248619058 140292611 /nfs/dbraw/zinc/29/26/11/140292611.db2.gz KHNBMJSZZPCQAL-FZMZJTMJSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000248619058 140292612 /nfs/dbraw/zinc/29/26/12/140292612.db2.gz KHNBMJSZZPCQAL-FZMZJTMJSA-N 1 2 294.351 1.875 20 5 CDBDLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343645010 152255010 /nfs/dbraw/zinc/25/50/10/152255010.db2.gz RGXRGYBKUCTGEN-VIFPVBQESA-N 1 2 284.316 1.102 20 5 CDBDLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343645010 152255012 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C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C[NH2+]1 ZINC000237482806 296921340 /nfs/dbraw/zinc/92/13/40/296921340.db2.gz HPSUGGVFNPZNHF-BDAKNGLRSA-N 1 2 279.296 1.123 20 5 CDBDLO CN(C(=O)Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000010809922 262058043 /nfs/dbraw/zinc/05/80/43/262058043.db2.gz ZPYNNNXHSSUTJT-UHFFFAOYSA-N 1 2 260.253 1.454 20 5 CDBDLO C[NH2+]Cc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000562742357 293189384 /nfs/dbraw/zinc/18/93/84/293189384.db2.gz KMVIUYMYHGMMGO-QMMMGPOBSA-N 1 2 262.269 1.849 20 5 CDBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000181254691 323231820 /nfs/dbraw/zinc/23/18/20/323231820.db2.gz XQMAFDWEEVRKQT-JTQLQIEISA-N 1 2 278.230 1.950 20 5 CDBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000181254691 323231821 /nfs/dbraw/zinc/23/18/21/323231821.db2.gz XQMAFDWEEVRKQT-JTQLQIEISA-N 1 2 278.230 1.950 20 5 CDBDLO CN(Cc1[nH+]ccn1C)Cc1ccccc1[N+](=O)[O-] ZINC000183234753 523594843 /nfs/dbraw/zinc/59/48/43/523594843.db2.gz RUDVYWOBRGKZMM-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000068806805 525570812 /nfs/dbraw/zinc/57/08/12/525570812.db2.gz OQOFTLMCDQZCOH-CYBMUJFWSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000068806805 525570824 /nfs/dbraw/zinc/57/08/24/525570824.db2.gz OQOFTLMCDQZCOH-CYBMUJFWSA-N 1 2 278.356 1.561 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc[nH+]cc1C ZINC000426908693 536885717 /nfs/dbraw/zinc/88/57/17/536885717.db2.gz GXKHJVUZYLLWGP-UHFFFAOYSA-N 1 2 287.275 1.981 20 5 CDBDLO O=C(Cc1ccccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000763288892 576729430 /nfs/dbraw/zinc/72/94/30/576729430.db2.gz SETUVDNUNFFKEB-UHFFFAOYSA-N 1 2 289.291 1.967 20 5 CDBDLO Cn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000754685525 576910637 /nfs/dbraw/zinc/91/06/37/576910637.db2.gz GPOYFFLLDKSDKL-UHFFFAOYSA-N 1 2 264.241 1.024 20 5 CDBDLO Cn1c[nH+]cc1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000754686138 576910858 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C[C@@H]1C[N@@H+](CCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000837925260 771016203 /nfs/dbraw/zinc/01/62/03/771016203.db2.gz MUDSPNWKZSYJRF-LLVKDONJSA-N 1 2 288.344 1.086 20 5 CDBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000836187162 771846282 /nfs/dbraw/zinc/84/62/82/771846282.db2.gz OYKQHDHAHORBQP-UHFFFAOYSA-N 1 2 297.742 1.944 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000886039599 772117265 /nfs/dbraw/zinc/11/72/65/772117265.db2.gz MRZQENZFWZBYRM-LLVKDONJSA-N 1 2 283.353 1.290 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC[C@H]1CCO ZINC000886039599 772117251 /nfs/dbraw/zinc/11/72/51/772117251.db2.gz MRZQENZFWZBYRM-LLVKDONJSA-N 1 2 283.353 1.290 20 5 CDBDLO C[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794636988 772461464 /nfs/dbraw/zinc/46/14/64/772461464.db2.gz NEWLUSZOSDXSFF-SECBINFHSA-N 1 2 277.280 1.945 20 5 CDBDLO C[C@@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794636988 772461467 /nfs/dbraw/zinc/46/14/67/772461467.db2.gz NEWLUSZOSDXSFF-SECBINFHSA-N 1 2 277.280 1.945 20 5 CDBDLO Nc1cc(CNc2ccc3ncc([N+](=O)[O-])n3c2)cc[nH+]1 ZINC001167617842 897059437 /nfs/dbraw/zinc/05/94/37/897059437.db2.gz XMMDANFUNSOGQN-UHFFFAOYSA-N 1 2 284.279 1.832 20 5 CDBDLO Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC001227221902 906130439 /nfs/dbraw/zinc/13/04/39/906130439.db2.gz HAQSEIDUZJQVNU-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC001227221902 906130454 /nfs/dbraw/zinc/13/04/54/906130454.db2.gz HAQSEIDUZJQVNU-JTQLQIEISA-N 1 2 267.285 1.008 20 5 CDBDLO O=[N+]([O-])c1cnc(NC2CN(c3cccc[nH+]3)C2)c(F)c1 ZINC001161320667 938888716 /nfs/dbraw/zinc/88/87/16/938888716.db2.gz MVZGYHPRCYOZLZ-UHFFFAOYSA-N 1 2 289.270 1.825 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(F)cc([N+](=O)[O-])c1 ZINC001216480919 940940703 /nfs/dbraw/zinc/94/07/03/940940703.db2.gz OGYZKGACFSPVLM-UHFFFAOYSA-N 1 2 294.242 1.679 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCc1c[nH+]cn1C ZINC001222595163 941618472 /nfs/dbraw/zinc/61/84/72/941618472.db2.gz RJNLONPUQZCUOY-VIFPVBQESA-N 1 2 279.300 1.439 20 5 CDBDLO COC(=O)c1cccc([N+](=O)[O-])c1COC1C[NH+](C)C1 ZINC001222774673 941633132 /nfs/dbraw/zinc/63/31/32/941633132.db2.gz XKHHRUDUYIGKFI-UHFFFAOYSA-N 1 2 280.280 1.212 20 5 CDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC(F)F ZINC001262565677 946715485 /nfs/dbraw/zinc/71/54/85/946715485.db2.gz UDUICLVTRSUAMC-MRVPVSSYSA-N 1 2 276.239 1.189 20 5 CDBDLO COC(=O)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254585814 947539693 /nfs/dbraw/zinc/53/96/93/947539693.db2.gz XESWUAHFIHVNFI-GXTWGEPZSA-N 1 2 290.319 1.603 20 5 CDBDLO COC[C@@H]1COCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612407 947555555 /nfs/dbraw/zinc/55/55/55/947555555.db2.gz VZKXEALAMOGROA-LSDHHAIUSA-N 1 2 292.335 1.409 20 5 CDBDLO COC[C@@H]1COCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612407 947555562 /nfs/dbraw/zinc/55/55/62/947555562.db2.gz VZKXEALAMOGROA-LSDHHAIUSA-N 1 2 292.335 1.409 20 5 CDBDLO Cn1cc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)n1 ZINC001306917817 956349496 /nfs/dbraw/zinc/34/94/96/956349496.db2.gz VFUCVWXPYNWXJM-UHFFFAOYSA-N 1 2 262.273 1.247 20 5 CDBDLO Cn1c(C[NH2+]CC[N+](=O)[O-])nc2cc(F)ccc21 ZINC001336779564 960579656 /nfs/dbraw/zinc/57/96/56/960579656.db2.gz UQZJXHWQCYZGAX-UHFFFAOYSA-N 1 2 252.249 1.079 20 5 CDBDLO CCNc1ccc(Nc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC001336967582 960791591 /nfs/dbraw/zinc/79/15/91/960791591.db2.gz BNNYBAJOOGGFOB-UHFFFAOYSA-N 1 2 262.273 1.899 20 5 CDBDLO O=C(CCc1[nH]cc[nH+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323676413 960906412 /nfs/dbraw/zinc/90/64/12/960906412.db2.gz YISFRLWDXVFQNH-UHFFFAOYSA-N 1 2 286.291 1.793 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])s2)CCO1 ZINC000608779202 342037463 /nfs/dbraw/zinc/03/74/63/342037463.db2.gz XJWOEGUBLAQIHX-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])s2)CCO1 ZINC000608779202 342037464 /nfs/dbraw/zinc/03/74/64/342037464.db2.gz XJWOEGUBLAQIHX-SECBINFHSA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000609150088 342092520 /nfs/dbraw/zinc/09/25/20/342092520.db2.gz JPTSSBZURLQHEE-NSHDSACASA-N 1 2 265.313 1.727 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000609150088 342092521 /nfs/dbraw/zinc/09/25/21/342092521.db2.gz JPTSSBZURLQHEE-NSHDSACASA-N 1 2 265.313 1.727 20 5 CDBDLO Cn1ncc2c1nc[nH+]c2NCc1ccccc1[N+](=O)[O-] ZINC000048337334 361852483 /nfs/dbraw/zinc/85/24/83/361852483.db2.gz DQLLVBVHZIDVAQ-UHFFFAOYSA-N 1 2 284.279 1.884 20 5 CDBDLO COCCC[N@H+](CCOC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595294358 343025883 /nfs/dbraw/zinc/02/58/83/343025883.db2.gz ZTXLEYDRLBQMSP-UHFFFAOYSA-N 1 2 287.316 1.376 20 5 CDBDLO COCCC[N@@H+](CCOC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595294358 343025885 /nfs/dbraw/zinc/02/58/85/343025885.db2.gz ZTXLEYDRLBQMSP-UHFFFAOYSA-N 1 2 287.316 1.376 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(SCC[NH+]2CCOCC2)n1 ZINC000090069632 342393616 /nfs/dbraw/zinc/39/36/16/342393616.db2.gz 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C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286470289 356460261 /nfs/dbraw/zinc/46/02/61/356460261.db2.gz VTFSIIVMFRDNEA-OLZOCXBDSA-N 1 2 291.351 1.894 20 5 CDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408085696 357818315 /nfs/dbraw/zinc/81/83/15/357818315.db2.gz BZRBKCMUQPQJSH-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000408085696 357818318 /nfs/dbraw/zinc/81/83/18/357818318.db2.gz BZRBKCMUQPQJSH-VHSXEESVSA-N 1 2 293.323 1.465 20 5 CDBDLO CC1(C)C[N@H+](CCNc2ncc([N+](=O)[O-])s2)CCO1 ZINC000195512306 358434183 /nfs/dbraw/zinc/43/41/83/358434183.db2.gz YGIXHBXYAAYDIP-UHFFFAOYSA-N 1 2 286.357 1.574 20 5 CDBDLO CC1(C)C[N@@H+](CCNc2ncc([N+](=O)[O-])s2)CCO1 ZINC000195512306 358434186 /nfs/dbraw/zinc/43/41/86/358434186.db2.gz YGIXHBXYAAYDIP-UHFFFAOYSA-N 1 2 286.357 1.574 20 5 CDBDLO Cn1nncc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342237109 358973863 /nfs/dbraw/zinc/97/38/63/358973863.db2.gz CMBZAIWNBKWYSK-UHFFFAOYSA-N 1 2 253.287 1.075 20 5 CDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062085 359283517 /nfs/dbraw/zinc/28/35/17/359283517.db2.gz WAFKBXQRARHMGK-UHFFFAOYSA-N 1 2 296.327 1.003 20 5 CDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062085 359283519 /nfs/dbraw/zinc/28/35/19/359283519.db2.gz WAFKBXQRARHMGK-UHFFFAOYSA-N 1 2 296.327 1.003 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000112551916 359330301 /nfs/dbraw/zinc/33/03/01/359330301.db2.gz OATZERVNFGMVOW-ZDUSSCGKSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000112551916 359330308 /nfs/dbraw/zinc/33/03/08/359330308.db2.gz OATZERVNFGMVOW-ZDUSSCGKSA-N 1 2 294.307 1.611 20 5 CDBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000138067372 360099867 /nfs/dbraw/zinc/09/98/67/360099867.db2.gz LYYLZYYFURYXII-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO CCC[N@@H+](CC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178857307 189150955 /nfs/dbraw/zinc/15/09/55/189150955.db2.gz GPRKVILUVKDVLM-ZDUSSCGKSA-N 1 2 296.323 1.513 20 5 CDBDLO CCC[N@H+](CC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178857307 189150956 /nfs/dbraw/zinc/15/09/56/189150956.db2.gz GPRKVILUVKDVLM-ZDUSSCGKSA-N 1 2 296.323 1.513 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000042535602 364595488 /nfs/dbraw/zinc/59/54/88/364595488.db2.gz YOYMHNXWDPZRHM-JTQLQIEISA-N 1 2 274.280 1.610 20 5 CDBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000348337492 367137333 /nfs/dbraw/zinc/13/73/33/367137333.db2.gz SZLHIGHTYAWELX-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000331869815 204248752 /nfs/dbraw/zinc/24/87/52/204248752.db2.gz DSJBKTOJRLGBBV-UHFFFAOYSA-N 1 2 289.295 1.597 20 5 CDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000368080661 371532552 /nfs/dbraw/zinc/53/25/52/371532552.db2.gz GNOOYIAGIUKGBM-UHFFFAOYSA-N 1 2 287.279 1.839 20 5 CDBDLO Cc1c[nH+]ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356545955 372938378 /nfs/dbraw/zinc/93/83/78/372938378.db2.gz ILGGERLSLLNAIF-UHFFFAOYSA-N 1 2 273.248 1.678 20 5 CDBDLO COc1ccc(OCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000266530205 373948044 /nfs/dbraw/zinc/94/80/44/373948044.db2.gz LWVGXUXCDWUOAA-NSHDSACASA-N 1 2 296.323 1.703 20 5 CDBDLO COc1ccc(OCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000266530205 373948052 /nfs/dbraw/zinc/94/80/52/373948052.db2.gz LWVGXUXCDWUOAA-NSHDSACASA-N 1 2 296.323 1.703 20 5 CDBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csnn3)CC2)n1 ZINC000369690011 374361925 /nfs/dbraw/zinc/36/19/25/374361925.db2.gz AGDOENIBOVSLAN-UHFFFAOYSA-N 1 2 294.340 1.480 20 5 CDBDLO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274760166 374681861 /nfs/dbraw/zinc/68/18/61/374681861.db2.gz RKNJQRQGFLASMY-UHFFFAOYSA-N 1 2 295.339 1.761 20 5 CDBDLO CC(C)[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274760166 374681870 /nfs/dbraw/zinc/68/18/70/374681870.db2.gz RKNJQRQGFLASMY-UHFFFAOYSA-N 1 2 295.339 1.761 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000093899988 374794014 /nfs/dbraw/zinc/79/40/14/374794014.db2.gz IJFWTYHTTXMXNN-UHFFFAOYSA-N 1 2 291.351 1.908 20 5 CDBDLO CO[C@@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1OC ZINC000330434299 374854144 /nfs/dbraw/zinc/85/41/44/374854144.db2.gz AAZPPWGCUAIXKA-CHWSQXEVSA-N 1 2 282.296 1.146 20 5 CDBDLO CCc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000471964590 375060285 /nfs/dbraw/zinc/06/02/85/375060285.db2.gz ADWDEWOJLAXORM-UHFFFAOYSA-N 1 2 274.280 1.810 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347303570 375461873 /nfs/dbraw/zinc/46/18/73/375461873.db2.gz NMMIALUSMSKATI-UHFFFAOYSA-N 1 2 293.258 1.752 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000352865770 375546537 /nfs/dbraw/zinc/54/65/37/375546537.db2.gz DMGYYZUOQXAPBI-CYBMUJFWSA-N 1 2 289.335 1.710 20 5 CDBDLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000352865770 375546539 /nfs/dbraw/zinc/54/65/39/375546539.db2.gz DMGYYZUOQXAPBI-CYBMUJFWSA-N 1 2 289.335 1.710 20 5 CDBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000353575538 375626204 /nfs/dbraw/zinc/62/62/04/375626204.db2.gz OQNYQUYAQGVLBU-UHFFFAOYSA-N 1 2 293.327 1.958 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000355252944 375785460 /nfs/dbraw/zinc/78/54/60/375785460.db2.gz HMWLJWHTOLSCNZ-UHFFFAOYSA-N 1 2 274.280 1.187 20 5 CDBDLO CCOCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000357551770 375916088 /nfs/dbraw/zinc/91/60/88/375916088.db2.gz LBXVPEJEUOYRHH-UHFFFAOYSA-N 1 2 295.339 1.810 20 5 CDBDLO CCOCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000357551770 375916091 /nfs/dbraw/zinc/91/60/91/375916091.db2.gz LBXVPEJEUOYRHH-UHFFFAOYSA-N 1 2 295.339 1.810 20 5 CDBDLO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000188938223 377122202 /nfs/dbraw/zinc/12/22/02/377122202.db2.gz MDHYRNHCZDWWQN-UHFFFAOYSA-N 1 2 295.339 1.714 20 5 CDBDLO CC(C)([NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232555022 391294998 /nfs/dbraw/zinc/29/49/98/391294998.db2.gz NCIOAPXKCWHRPR-UHFFFAOYSA-N 1 2 253.258 1.366 20 5 CDBDLO COC(=O)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000347668148 391920862 /nfs/dbraw/zinc/92/08/62/391920862.db2.gz VBYVBCGVWCZBSN-UHFFFAOYSA-N 1 2 294.307 1.876 20 5 CDBDLO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262048739 131186735 /nfs/dbraw/zinc/18/67/35/131186735.db2.gz HCHLYZCMGPFMAF-NXEZZACHSA-N 1 2 279.296 1.158 20 5 CDBDLO Cn1c[nH+]cc1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487928769 393336199 /nfs/dbraw/zinc/33/61/99/393336199.db2.gz JXRZDFKVEUIAGM-UHFFFAOYSA-N 1 2 284.275 1.692 20 5 CDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc[nH]n3)CC2)c1 ZINC000092048266 135075152 /nfs/dbraw/zinc/07/51/52/135075152.db2.gz ISZQPSLZWQFBNQ-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230009562 140205596 /nfs/dbraw/zinc/20/55/96/140205596.db2.gz HIABRKVZNNJEQZ-MFKMUULPSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230009562 140205597 /nfs/dbraw/zinc/20/55/97/140205597.db2.gz HIABRKVZNNJEQZ-MFKMUULPSA-N 1 2 266.297 1.176 20 5 CDBDLO COc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000121969677 147389216 /nfs/dbraw/zinc/38/92/16/147389216.db2.gz PIVSZXNJSGPAIY-UHFFFAOYSA-N 1 2 290.279 1.599 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000362928946 159271304 /nfs/dbraw/zinc/27/13/04/159271304.db2.gz YIMNBIOJQISLAO-UHFFFAOYSA-N 1 2 277.284 1.282 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285322053 196250711 /nfs/dbraw/zinc/25/07/11/196250711.db2.gz NDMNZAWLDDHXFK-MRVPVSSYSA-N 1 2 290.283 1.061 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)n1 ZINC000285492078 196302373 /nfs/dbraw/zinc/30/23/73/196302373.db2.gz WUPMDBKJLGFNGW-LBPRGKRZSA-N 1 2 290.327 1.742 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)n1 ZINC000285492078 196302374 /nfs/dbraw/zinc/30/23/74/196302374.db2.gz WUPMDBKJLGFNGW-LBPRGKRZSA-N 1 2 290.327 1.742 20 5 CDBDLO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000070990552 176019705 /nfs/dbraw/zinc/01/97/05/176019705.db2.gz AXUSJNCCZAJHIU-UHFFFAOYSA-N 1 2 276.252 1.257 20 5 CDBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000071140354 176038495 /nfs/dbraw/zinc/03/84/95/176038495.db2.gz AJWBPZKFLOMVAD-UHFFFAOYSA-N 1 2 274.240 1.477 20 5 CDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140751504 279861464 /nfs/dbraw/zinc/86/14/64/279861464.db2.gz QLTGMYUGXFIJLF-MRVPVSSYSA-N 1 2 260.253 1.809 20 5 CDBDLO Cc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248961533 280398139 /nfs/dbraw/zinc/39/81/39/280398139.db2.gz GOBJWUBYTHKVBV-WCQYABFASA-N 1 2 280.324 1.485 20 5 CDBDLO Cc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248961533 280398140 /nfs/dbraw/zinc/39/81/40/280398140.db2.gz GOBJWUBYTHKVBV-WCQYABFASA-N 1 2 280.324 1.485 20 5 CDBDLO CN(C)c1noc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000515105900 280872271 /nfs/dbraw/zinc/87/22/71/280872271.db2.gz GFDLFFUNUAGJDA-UHFFFAOYSA-N 1 2 277.284 1.334 20 5 CDBDLO COCC[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339131168 292662471 /nfs/dbraw/zinc/66/24/71/292662471.db2.gz RNQIMKQDLWGYPA-CQSZACIVSA-N 1 2 296.323 1.586 20 5 CDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000157609647 289290557 /nfs/dbraw/zinc/29/05/57/289290557.db2.gz UAEBKGOTVPFRTC-UHFFFAOYSA-N 1 2 297.330 1.938 20 5 CDBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000157609647 289290558 /nfs/dbraw/zinc/29/05/58/289290558.db2.gz UAEBKGOTVPFRTC-UHFFFAOYSA-N 1 2 297.330 1.938 20 5 CDBDLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298292444 289344199 /nfs/dbraw/zinc/34/41/99/289344199.db2.gz SFJVMXDNCBOQQM-SNVBAGLBSA-N 1 2 277.324 1.694 20 5 CDBDLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298292444 289344202 /nfs/dbraw/zinc/34/42/02/289344202.db2.gz SFJVMXDNCBOQQM-SNVBAGLBSA-N 1 2 277.324 1.694 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612640 1160466016 /nfs/dbraw/zinc/46/60/16/1160466016.db2.gz KKXXKJNLWPEJDE-VIFPVBQESA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612640 1160466019 /nfs/dbraw/zinc/46/60/19/1160466019.db2.gz KKXXKJNLWPEJDE-VIFPVBQESA-N 1 2 288.250 1.582 20 5 CDBDLO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184575684 521669843 /nfs/dbraw/zinc/66/98/43/521669843.db2.gz WUUANPFSMUHNMI-UHFFFAOYSA-N 1 2 279.296 1.078 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339286911 525461342 /nfs/dbraw/zinc/46/13/42/525461342.db2.gz MUDQOWGIQMMUHC-UHFFFAOYSA-N 1 2 290.279 1.565 20 5 CDBDLO C[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339202833 525799076 /nfs/dbraw/zinc/79/90/76/525799076.db2.gz TYAVNIKQGFRPJT-SECBINFHSA-N 1 2 252.270 1.170 20 5 CDBDLO C[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339202833 525799081 /nfs/dbraw/zinc/79/90/81/525799081.db2.gz TYAVNIKQGFRPJT-SECBINFHSA-N 1 2 252.270 1.170 20 5 CDBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1[nH]cc[nH+]1 ZINC000218080203 535799690 /nfs/dbraw/zinc/79/96/90/535799690.db2.gz RYBUBXPQPLGTRS-SECBINFHSA-N 1 2 290.283 1.176 20 5 CDBDLO Cc1nn(C[N@@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000758985838 574919393 /nfs/dbraw/zinc/91/93/93/574919393.db2.gz CVOUWEGRFNEAON-UHFFFAOYSA-N 1 2 280.328 1.560 20 5 CDBDLO Cc1nn(C[N@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000758985838 574919394 /nfs/dbraw/zinc/91/93/94/574919394.db2.gz CVOUWEGRFNEAON-UHFFFAOYSA-N 1 2 280.328 1.560 20 5 CDBDLO CCOc1cc(C[N@H+](CC)CC(=O)NC)ccc1[N+](=O)[O-] ZINC000754990231 576924818 /nfs/dbraw/zinc/92/48/18/576924818.db2.gz KRURNCYBFXGBAM-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO CCOc1cc(C[N@@H+](CC)CC(=O)NC)ccc1[N+](=O)[O-] ZINC000754990231 576924819 /nfs/dbraw/zinc/92/48/19/576924819.db2.gz KRURNCYBFXGBAM-UHFFFAOYSA-N 1 2 295.339 1.561 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000892962112 617990175 /nfs/dbraw/zinc/99/01/75/617990175.db2.gz JEZQFCBGULTOJH-JTQLQIEISA-N 1 2 288.311 1.414 20 5 CDBDLO C[NH+](C)C1(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC1 ZINC000896315248 620056921 /nfs/dbraw/zinc/05/69/21/620056921.db2.gz NQYXBTXVWZFPGR-UHFFFAOYSA-N 1 2 268.317 1.608 20 5 CDBDLO CCO[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902528839 624931955 /nfs/dbraw/zinc/93/19/55/624931955.db2.gz RCUNMHMIXINNQR-NSHDSACASA-N 1 2 268.317 1.476 20 5 CDBDLO CCO[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902528839 624931959 /nfs/dbraw/zinc/93/19/59/624931959.db2.gz RCUNMHMIXINNQR-NSHDSACASA-N 1 2 268.317 1.476 20 5 CDBDLO COc1ccc(C[C@H](C)[NH+]2CC(OC)C2)c([N+](=O)[O-])c1 ZINC001170328636 1162338400 /nfs/dbraw/zinc/33/84/00/1162338400.db2.gz KXZJILGJSKXIPI-JTQLQIEISA-N 1 2 280.324 1.865 20 5 CDBDLO [NH3+]CCON=c1[nH]ccc(Br)c1[N+](=O)[O-] ZINC001164435470 1167307428 /nfs/dbraw/zinc/30/74/28/1167307428.db2.gz GPDYQBCEQHUFMT-UHFFFAOYSA-N 1 2 277.078 1.055 20 5 CDBDLO Cc1noc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819018200 774236316 /nfs/dbraw/zinc/23/63/16/774236316.db2.gz SWOGWKUCFLRFFB-NSHDSACASA-N 1 2 278.268 1.109 20 5 CDBDLO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794625860 774814620 /nfs/dbraw/zinc/81/46/20/774814620.db2.gz CLYDRJBMYVILMY-SECBINFHSA-N 1 2 277.280 1.802 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794625860 774814624 /nfs/dbraw/zinc/81/46/24/774814624.db2.gz CLYDRJBMYVILMY-SECBINFHSA-N 1 2 277.280 1.802 20 5 CDBDLO Cc1cc(F)cc(C(=O)NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC000837543111 774876114 /nfs/dbraw/zinc/87/61/14/774876114.db2.gz BHICFLPRISDWFC-UHFFFAOYSA-N 1 2 295.314 1.865 20 5 CDBDLO O=C(CC1CCCC1)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929265086 775386098 /nfs/dbraw/zinc/38/60/98/775386098.db2.gz XGLFYFWPTWZCQZ-UHFFFAOYSA-N 1 2 283.372 1.378 20 5 CDBDLO O=C(CC1CCCC1)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929265086 775386113 /nfs/dbraw/zinc/38/61/13/775386113.db2.gz XGLFYFWPTWZCQZ-UHFFFAOYSA-N 1 2 283.372 1.378 20 5 CDBDLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000854606191 775626029 /nfs/dbraw/zinc/62/60/29/775626029.db2.gz ZGTRDXWGYPZKEX-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO CC(C)(CCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[N+](=O)[O-] ZINC000823087615 776028249 /nfs/dbraw/zinc/02/82/49/776028249.db2.gz BYKBBWFMLHAREZ-GFCCVEGCSA-N 1 2 294.355 1.882 20 5 CDBDLO CCN1C[C@H](C[N@H+](C)CC[N+](=O)[O-])Oc2ccccc21 ZINC000929190436 776501002 /nfs/dbraw/zinc/50/10/02/776501002.db2.gz ZFWIVYNWYRFYSM-LBPRGKRZSA-N 1 2 279.340 1.482 20 5 CDBDLO CCN1C[C@H](C[N@@H+](C)CC[N+](=O)[O-])Oc2ccccc21 ZINC000929190436 776501019 /nfs/dbraw/zinc/50/10/19/776501019.db2.gz ZFWIVYNWYRFYSM-LBPRGKRZSA-N 1 2 279.340 1.482 20 5 CDBDLO CO[C@H](C)C[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000795745630 777809018 /nfs/dbraw/zinc/80/90/18/777809018.db2.gz DKZFKIGKNSLXBT-MRVPVSSYSA-N 1 2 256.306 1.332 20 5 CDBDLO CO[C@H](C)C[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000795745630 777809019 /nfs/dbraw/zinc/80/90/19/777809019.db2.gz DKZFKIGKNSLXBT-MRVPVSSYSA-N 1 2 256.306 1.332 20 5 CDBDLO Cc1nn(Cc2cc[nH+]c(N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000782112262 778552689 /nfs/dbraw/zinc/55/26/89/778552689.db2.gz ZCHGVSNVBJEUMJ-UHFFFAOYSA-N 1 2 275.312 1.917 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882108125 778651908 /nfs/dbraw/zinc/65/19/08/778651908.db2.gz AOVZVTJUQZJOHB-UHFFFAOYSA-N 1 2 279.275 1.852 20 5 CDBDLO CC[N@H+](C[C@@H]1CCCO1)Cn1nccc1[N+](=O)[O-] ZINC000194010009 779025047 /nfs/dbraw/zinc/02/50/47/779025047.db2.gz TZQFVTOSZVKYPR-JTQLQIEISA-N 1 2 254.290 1.250 20 5 CDBDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1nccc1[N+](=O)[O-] ZINC000194010009 779025063 /nfs/dbraw/zinc/02/50/63/779025063.db2.gz TZQFVTOSZVKYPR-JTQLQIEISA-N 1 2 254.290 1.250 20 5 CDBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051643 779710065 /nfs/dbraw/zinc/71/00/65/779710065.db2.gz HOKMDWXKCPYHQY-GFCCVEGCSA-N 1 2 280.299 1.997 20 5 CDBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051643 779710084 /nfs/dbraw/zinc/71/00/84/779710084.db2.gz HOKMDWXKCPYHQY-GFCCVEGCSA-N 1 2 280.299 1.997 20 5 CDBDLO CC[NH+]1CC(OCc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001222773063 900445487 /nfs/dbraw/zinc/44/54/87/900445487.db2.gz HGQCIYPJQYSSPE-UHFFFAOYSA-N 1 2 294.307 1.602 20 5 CDBDLO Nc1[nH+]ccc2c1CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC001150702687 937246384 /nfs/dbraw/zinc/24/63/84/937246384.db2.gz XDVFQUVUJQVPDA-UHFFFAOYSA-N 1 2 298.302 1.771 20 5 CDBDLO Cc1c(OC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001225689439 941899832 /nfs/dbraw/zinc/89/98/32/941899832.db2.gz GWFUMTIVVXPZEU-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1c(OC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001225689439 941899834 /nfs/dbraw/zinc/89/98/34/941899834.db2.gz GWFUMTIVVXPZEU-NSHDSACASA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001226841170 942081943 /nfs/dbraw/zinc/08/19/43/942081943.db2.gz APPRMJONAYODRA-LBPRGKRZSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC001226841170 942081949 /nfs/dbraw/zinc/08/19/49/942081949.db2.gz APPRMJONAYODRA-LBPRGKRZSA-N 1 2 266.297 1.613 20 5 CDBDLO CC[NH+]1CC(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228239859 942283962 /nfs/dbraw/zinc/28/39/62/942283962.db2.gz BWDFSMFSJFZOLV-UHFFFAOYSA-N 1 2 290.279 1.327 20 5 CDBDLO C[NH+]1CC(Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005966 942406467 /nfs/dbraw/zinc/40/64/67/942406467.db2.gz PWBOWIUVMKFYPA-UHFFFAOYSA-N 1 2 259.265 1.836 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC001229470224 942477677 /nfs/dbraw/zinc/47/76/77/942477677.db2.gz ODUWCQJWOWYQAA-CYBMUJFWSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)cc(C)c1[N+](=O)[O-] ZINC001229470224 942477680 /nfs/dbraw/zinc/47/76/80/942477680.db2.gz ODUWCQJWOWYQAA-CYBMUJFWSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1C ZINC001263973900 944048282 /nfs/dbraw/zinc/04/82/82/944048282.db2.gz NBVPLCAIDXCZIP-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO CC(=O)NC1C[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254563555 947527252 /nfs/dbraw/zinc/52/72/52/947527252.db2.gz YLKXDZGCHIWGMP-SNVBAGLBSA-N 1 2 277.324 1.346 20 5 CDBDLO CCNc1cc(CNc2ncc([N+](=O)[O-])cn2)cc[nH+]1 ZINC001307183814 956377060 /nfs/dbraw/zinc/37/70/60/956377060.db2.gz XUHBBXQAIFZUBG-UHFFFAOYSA-N 1 2 274.284 1.824 20 5 CDBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nnc3n2CCOC3)c1 ZINC001320698492 959336775 /nfs/dbraw/zinc/33/67/75/959336775.db2.gz QHXOWVHNYGVXNF-UHFFFAOYSA-N 1 2 289.295 1.006 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601466359 342565319 /nfs/dbraw/zinc/56/53/19/342565319.db2.gz BXCJAZZTGFBIPB-UHFFFAOYSA-N 1 2 281.287 1.556 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567535 342576167 /nfs/dbraw/zinc/57/61/67/342576167.db2.gz NCIVOGITULGFEY-UHFFFAOYSA-N 1 2 279.687 1.929 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000590602291 342577596 /nfs/dbraw/zinc/57/75/96/342577596.db2.gz VCNGBIMZZSVDBR-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000590602291 342577597 /nfs/dbraw/zinc/57/75/97/342577597.db2.gz VCNGBIMZZSVDBR-UHFFFAOYSA-N 1 2 288.307 1.885 20 5 CDBDLO Cc1noc(CN(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000595398524 343048050 /nfs/dbraw/zinc/04/80/50/343048050.db2.gz RJERGNSEWIXDHI-UHFFFAOYSA-N 1 2 265.273 1.257 20 5 CDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000595506210 343080268 /nfs/dbraw/zinc/08/02/68/343080268.db2.gz BICQPUAQCKTTBG-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000595506210 343080271 /nfs/dbraw/zinc/08/02/71/343080271.db2.gz BICQPUAQCKTTBG-UHFFFAOYSA-N 1 2 269.276 1.430 20 5 CDBDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595523219 343088814 /nfs/dbraw/zinc/08/88/14/343088814.db2.gz KUFCUHSOTLWSQI-NSHDSACASA-N 1 2 298.343 1.484 20 5 CDBDLO Cc1cnc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078625441 342339114 /nfs/dbraw/zinc/33/91/14/342339114.db2.gz VNFLYSAYKVAPCI-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCC[N@H+]1C ZINC000436918726 362123010 /nfs/dbraw/zinc/12/30/10/362123010.db2.gz JSTLVZCHRLITNW-CABZTGNLSA-N 1 2 293.323 1.513 20 5 CDBDLO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436927928 362133762 /nfs/dbraw/zinc/13/37/62/362133762.db2.gz AOTGGFZVPWFFOX-JTQLQIEISA-N 1 2 295.339 1.759 20 5 CDBDLO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436927928 362133764 /nfs/dbraw/zinc/13/37/64/362133764.db2.gz AOTGGFZVPWFFOX-JTQLQIEISA-N 1 2 295.339 1.759 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342959875 362213882 /nfs/dbraw/zinc/21/38/82/362213882.db2.gz SWMGTRWBBBRONS-UHFFFAOYSA-N 1 2 299.290 1.772 20 5 CDBDLO C[NH+](C)CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000602127206 344355167 /nfs/dbraw/zinc/35/51/67/344355167.db2.gz RSPWTSHLHLNRJJ-UHFFFAOYSA-N 1 2 279.296 1.581 20 5 CDBDLO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273203290 192074266 /nfs/dbraw/zinc/07/42/66/192074266.db2.gz KHVIUORIKNHQKS-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273203290 192074268 /nfs/dbraw/zinc/07/42/68/192074268.db2.gz KHVIUORIKNHQKS-UHFFFAOYSA-N 1 2 293.323 1.468 20 5 CDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nc[nH]n3)CC2)c1 ZINC000602869716 344640566 /nfs/dbraw/zinc/64/05/66/344640566.db2.gz HNPLSUODKKEYQE-UHFFFAOYSA-N 1 2 288.311 1.035 20 5 CDBDLO Cc1nn(CCCn2cc[nH+]c2)c2ncc([N+](=O)[O-])cc12 ZINC000603327748 344776451 /nfs/dbraw/zinc/77/64/51/344776451.db2.gz QSEGTKALSVTVQK-UHFFFAOYSA-N 1 2 286.295 1.935 20 5 CDBDLO COC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052279200 345237961 /nfs/dbraw/zinc/23/79/61/345237961.db2.gz NTHJBSDSDYMFPT-UHFFFAOYSA-N 1 2 293.323 1.787 20 5 CDBDLO O=C(C1CC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000015304303 345486256 /nfs/dbraw/zinc/48/62/56/345486256.db2.gz HWWYVJJZAFQWPI-UHFFFAOYSA-N 1 2 289.335 1.649 20 5 CDBDLO CN(CC[NH+]1CCOCC1)c1ccsc1[N+](=O)[O-] ZINC000609963221 346050837 /nfs/dbraw/zinc/05/08/37/346050837.db2.gz ITHSXNPHGDFSIH-UHFFFAOYSA-N 1 2 271.342 1.425 20 5 CDBDLO COCCOC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610487803 346292432 /nfs/dbraw/zinc/29/24/32/346292432.db2.gz YAWGAPGEHUZAPF-UHFFFAOYSA-N 1 2 280.324 1.485 20 5 CDBDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610539413 346306553 /nfs/dbraw/zinc/30/65/53/346306553.db2.gz OMJKSIMFNKMPIS-SECBINFHSA-N 1 2 288.311 1.767 20 5 CDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1CCCOC1)CC2 ZINC000612469162 347181043 /nfs/dbraw/zinc/18/10/43/347181043.db2.gz GMFWKFHXQRAZCR-NSHDSACASA-N 1 2 263.297 1.527 20 5 CDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1CCCOC1)CC2 ZINC000612469162 347181046 /nfs/dbraw/zinc/18/10/46/347181046.db2.gz GMFWKFHXQRAZCR-NSHDSACASA-N 1 2 263.297 1.527 20 5 CDBDLO O=C(NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000063706930 348929706 /nfs/dbraw/zinc/92/97/06/348929706.db2.gz FAKLGEZHRGNGBL-UHFFFAOYSA-N 1 2 292.320 1.893 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC000091556642 180190759 /nfs/dbraw/zinc/19/07/59/180190759.db2.gz SWOBWUSMZQPFOL-UHFFFAOYSA-N 1 2 264.289 1.428 20 5 CDBDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282654 188308069 /nfs/dbraw/zinc/30/80/69/188308069.db2.gz FIHNZNGXTTVEOU-YPMHNXCESA-N 1 2 280.324 1.567 20 5 CDBDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000157282654 188308071 /nfs/dbraw/zinc/30/80/71/188308071.db2.gz FIHNZNGXTTVEOU-YPMHNXCESA-N 1 2 280.324 1.567 20 5 CDBDLO COCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134763997 356392204 /nfs/dbraw/zinc/39/22/04/356392204.db2.gz VPBQRWJVQIUSRU-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO COCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134763997 356392209 /nfs/dbraw/zinc/39/22/09/356392209.db2.gz VPBQRWJVQIUSRU-UHFFFAOYSA-N 1 2 288.731 1.689 20 5 CDBDLO COc1cccc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925714 356655046 /nfs/dbraw/zinc/65/50/46/356655046.db2.gz JGDOTOUYSQEEQM-SNVBAGLBSA-N 1 2 281.312 1.346 20 5 CDBDLO COc1cccc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925714 356655049 /nfs/dbraw/zinc/65/50/49/356655049.db2.gz JGDOTOUYSQEEQM-SNVBAGLBSA-N 1 2 281.312 1.346 20 5 CDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc[nH]n3)CC2)cc1 ZINC000179535225 357211108 /nfs/dbraw/zinc/21/11/08/357211108.db2.gz WHFLASMDHDNMNC-UHFFFAOYSA-N 1 2 287.323 1.640 20 5 CDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1-n1cc[nH+]c1 ZINC000341366887 357239386 /nfs/dbraw/zinc/23/93/86/357239386.db2.gz WOCSTMDGBWOMBZ-UHFFFAOYSA-N 1 2 261.237 1.876 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083798366 357336593 /nfs/dbraw/zinc/33/65/93/357336593.db2.gz HBRCQOIHHOSADK-UHFFFAOYSA-N 1 2 280.671 1.901 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000072665112 357386474 /nfs/dbraw/zinc/38/64/74/357386474.db2.gz KAJLBIKKSXWVCR-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000072665112 357386480 /nfs/dbraw/zinc/38/64/80/357386480.db2.gz KAJLBIKKSXWVCR-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3[nH]cc[nH+]3)C2)nc1 ZINC000072665112 357386486 /nfs/dbraw/zinc/38/64/86/357386486.db2.gz KAJLBIKKSXWVCR-SNVBAGLBSA-N 1 2 288.311 1.399 20 5 CDBDLO CC[NH+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182168127 357415482 /nfs/dbraw/zinc/41/54/82/357415482.db2.gz XREKIXPWYZSPSC-UHFFFAOYSA-N 1 2 286.353 1.710 20 5 CDBDLO Cn1cnnc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000286679233 357889573 /nfs/dbraw/zinc/88/95/73/357889573.db2.gz CEEXNXMBCSNWAD-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO Cn1cnnc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000286679233 357889577 /nfs/dbraw/zinc/88/95/77/357889577.db2.gz CEEXNXMBCSNWAD-UHFFFAOYSA-N 1 2 291.311 1.234 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290462294 366520584 /nfs/dbraw/zinc/52/05/84/366520584.db2.gz FLYLCBDIAGTNPN-SECBINFHSA-N 1 2 261.285 1.874 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000331461008 358898870 /nfs/dbraw/zinc/89/88/70/358898870.db2.gz ZBSFJGVEOZNMPP-LLVKDONJSA-N 1 2 275.312 1.994 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000331461008 358898874 /nfs/dbraw/zinc/89/88/74/358898874.db2.gz ZBSFJGVEOZNMPP-LLVKDONJSA-N 1 2 275.312 1.994 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](C)[NH+]1CCOCC1 ZINC000104591002 358960247 /nfs/dbraw/zinc/96/02/47/358960247.db2.gz VAMXJGNMAHKVSL-UWVGGRQHSA-N 1 2 297.311 1.027 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCOCC2)c1 ZINC000084726198 358976148 /nfs/dbraw/zinc/97/61/48/358976148.db2.gz ALZZJOWCKVVRMX-UHFFFAOYSA-N 1 2 265.313 1.647 20 5 CDBDLO CCC[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338908329 359214404 /nfs/dbraw/zinc/21/44/04/359214404.db2.gz RDMMFXYZQJSMDY-UHFFFAOYSA-N 1 2 254.286 1.505 20 5 CDBDLO CCC[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338908329 359214411 /nfs/dbraw/zinc/21/44/11/359214411.db2.gz RDMMFXYZQJSMDY-UHFFFAOYSA-N 1 2 254.286 1.505 20 5 CDBDLO Cc1c(CC(=O)NCCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000178702206 238387802 /nfs/dbraw/zinc/38/78/02/238387802.db2.gz WYPMFICHVYJDPV-UHFFFAOYSA-N 1 2 288.307 1.528 20 5 CDBDLO CC(C)(C[NH+]1CCOCC1)Nc1ncccc1[N+](=O)[O-] ZINC000308665156 366936825 /nfs/dbraw/zinc/93/68/25/366936825.db2.gz SXYHMMKUSKXGAG-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CCO)CC1 ZINC000272283989 367673842 /nfs/dbraw/zinc/67/38/42/367673842.db2.gz FVHIORWGNRCSTM-CYBMUJFWSA-N 1 2 293.367 1.574 20 5 CDBDLO COCC1(O)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330460310 367786779 /nfs/dbraw/zinc/78/67/79/367786779.db2.gz VDSLCNUQDVVCQT-UHFFFAOYSA-N 1 2 296.323 1.274 20 5 CDBDLO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000170869389 369982419 /nfs/dbraw/zinc/98/24/19/369982419.db2.gz YPGSIFLVAQDLOZ-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000170869389 369982424 /nfs/dbraw/zinc/98/24/24/369982424.db2.gz YPGSIFLVAQDLOZ-UHFFFAOYSA-N 1 2 280.328 1.513 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000286000460 296186184 /nfs/dbraw/zinc/18/61/84/296186184.db2.gz NPIWRPZLIWGLKU-SECBINFHSA-N 1 2 290.283 1.408 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420977785 374308543 /nfs/dbraw/zinc/30/85/43/374308543.db2.gz BZBJABOSAKKDIN-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420977785 374308558 /nfs/dbraw/zinc/30/85/58/374308558.db2.gz BZBJABOSAKKDIN-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2ncnc2C1 ZINC000351932065 374374894 /nfs/dbraw/zinc/37/48/94/374374894.db2.gz PLYXCCCUGKNCIE-HYXAFXHYSA-N 1 2 285.307 1.715 20 5 CDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2ncnc2C1 ZINC000351932065 374374901 /nfs/dbraw/zinc/37/49/01/374374901.db2.gz PLYXCCCUGKNCIE-HYXAFXHYSA-N 1 2 285.307 1.715 20 5 CDBDLO Cc1cc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)no1 ZINC000370002953 374374153 /nfs/dbraw/zinc/37/41/53/374374153.db2.gz VGFKSILZQHUMMF-CYBMUJFWSA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1cc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)no1 ZINC000370002953 374374157 /nfs/dbraw/zinc/37/41/57/374374157.db2.gz VGFKSILZQHUMMF-CYBMUJFWSA-N 1 2 291.311 1.925 20 5 CDBDLO CC(C)[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000276636587 374739501 /nfs/dbraw/zinc/73/95/01/374739501.db2.gz QGMVZRGWROMGHL-QMMMGPOBSA-N 1 2 278.272 1.168 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812404 375024169 /nfs/dbraw/zinc/02/41/69/375024169.db2.gz TZPAATWVHGLDTG-JOYOIKCWSA-N 1 2 282.296 1.122 20 5 CDBDLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280812404 375024175 /nfs/dbraw/zinc/02/41/75/375024175.db2.gz TZPAATWVHGLDTG-JOYOIKCWSA-N 1 2 282.296 1.122 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000351615937 375312764 /nfs/dbraw/zinc/31/27/64/375312764.db2.gz OUOPSCOKSAHMQR-UHFFFAOYSA-N 1 2 289.295 1.280 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000351615937 375312769 /nfs/dbraw/zinc/31/27/69/375312769.db2.gz OUOPSCOKSAHMQR-UHFFFAOYSA-N 1 2 289.295 1.280 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353162948 375581389 /nfs/dbraw/zinc/58/13/89/375581389.db2.gz QGFBZISVWRKMQV-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CC1 ZINC000171241324 376500911 /nfs/dbraw/zinc/50/09/11/376500911.db2.gz ZLBVCBWDLJPCKZ-UHFFFAOYSA-N 1 2 289.335 1.838 20 5 CDBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CC1 ZINC000171241324 376500923 /nfs/dbraw/zinc/50/09/23/376500923.db2.gz ZLBVCBWDLJPCKZ-UHFFFAOYSA-N 1 2 289.335 1.838 20 5 CDBDLO COC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C)o1 ZINC000347629714 376622014 /nfs/dbraw/zinc/62/20/14/376622014.db2.gz CTNVJNBEBMDDOS-SNVBAGLBSA-N 1 2 294.311 1.707 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4n[nH]cc4C3)nc2c1 ZINC000444669859 250162131 /nfs/dbraw/zinc/16/21/31/250162131.db2.gz WIFHXLYKNPXBSZ-UHFFFAOYSA-N 1 2 298.306 1.753 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4n[nH]cc4C3)nc2c1 ZINC000444669859 250162136 /nfs/dbraw/zinc/16/21/36/250162136.db2.gz WIFHXLYKNPXBSZ-UHFFFAOYSA-N 1 2 298.306 1.753 20 5 CDBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000186987266 390165849 /nfs/dbraw/zinc/16/58/49/390165849.db2.gz JFRJOWJVXLZMNS-NSHDSACASA-N 1 2 277.324 1.300 20 5 CDBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000186987266 390165854 /nfs/dbraw/zinc/16/58/54/390165854.db2.gz JFRJOWJVXLZMNS-NSHDSACASA-N 1 2 277.324 1.300 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000134499596 390205739 /nfs/dbraw/zinc/20/57/39/390205739.db2.gz ZNOYYIVISRNOIM-UHFFFAOYSA-N 1 2 260.253 1.290 20 5 CDBDLO CN1C[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1=O ZINC000495650448 391033326 /nfs/dbraw/zinc/03/33/26/391033326.db2.gz IJYMKZXCVGJKCA-CYBMUJFWSA-N 1 2 291.307 1.404 20 5 CDBDLO CN1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1=O ZINC000495650448 391033329 /nfs/dbraw/zinc/03/33/29/391033329.db2.gz IJYMKZXCVGJKCA-CYBMUJFWSA-N 1 2 291.307 1.404 20 5 CDBDLO CNC(=O)CCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413121063 391159945 /nfs/dbraw/zinc/15/99/45/391159945.db2.gz UFZPKGVMZJHRRG-UHFFFAOYSA-N 1 2 288.307 1.715 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762172 391922415 /nfs/dbraw/zinc/92/24/15/391922415.db2.gz MBFAKKMORDSURJ-ZYHUDNBSSA-N 1 2 293.323 1.297 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762172 391922422 /nfs/dbraw/zinc/92/24/22/391922422.db2.gz MBFAKKMORDSURJ-ZYHUDNBSSA-N 1 2 293.323 1.297 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000195196329 393113110 /nfs/dbraw/zinc/11/31/10/393113110.db2.gz ZFCFBKRTQSMFIY-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000195196329 393113115 /nfs/dbraw/zinc/11/31/15/393113115.db2.gz ZFCFBKRTQSMFIY-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO O=C(NCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448640868 393121148 /nfs/dbraw/zinc/12/11/48/393121148.db2.gz WQLSTASKSCDSDU-UHFFFAOYSA-N 1 2 286.291 1.920 20 5 CDBDLO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000219733906 140165890 /nfs/dbraw/zinc/16/58/90/140165890.db2.gz OUQYGPMMWFVMJD-UHFFFAOYSA-N 1 2 279.296 1.126 20 5 CDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOCC3)c2c1 ZINC000413023179 296510264 /nfs/dbraw/zinc/51/02/64/296510264.db2.gz IKGSVZGRTBQUEM-UHFFFAOYSA-N 1 2 259.265 1.980 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343284638 152102252 /nfs/dbraw/zinc/10/22/52/152102252.db2.gz HGXBPZRSFHRHQG-UHFFFAOYSA-N 1 2 299.290 1.740 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359127598 158135253 /nfs/dbraw/zinc/13/52/53/158135253.db2.gz OTMNOXAJWKKSAY-UHFFFAOYSA-N 1 2 286.247 1.994 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359127598 158135256 /nfs/dbraw/zinc/13/52/56/158135256.db2.gz OTMNOXAJWKKSAY-UHFFFAOYSA-N 1 2 286.247 1.994 20 5 CDBDLO Cc1ccc(C[NH2+][C@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000037293615 173097585 /nfs/dbraw/zinc/09/75/85/173097585.db2.gz CVKYDIMYAJWAIN-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000043947526 175126594 /nfs/dbraw/zinc/12/65/94/175126594.db2.gz IAALPCBTPUUGLB-UHFFFAOYSA-N 1 2 294.698 1.875 20 5 CDBDLO Cn1c[nH+]cc1CCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000518219158 260358902 /nfs/dbraw/zinc/35/89/02/260358902.db2.gz ZHMFIROKJKUVJK-UHFFFAOYSA-N 1 2 296.714 1.776 20 5 CDBDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189100816 290306999 /nfs/dbraw/zinc/30/69/99/290306999.db2.gz FOUCDJQZUQLMNP-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189100816 290307001 /nfs/dbraw/zinc/30/70/01/290307001.db2.gz FOUCDJQZUQLMNP-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000563390206 316286355 /nfs/dbraw/zinc/28/63/55/316286355.db2.gz PPGRNLXZBBFZRB-JTQLQIEISA-N 1 2 293.323 1.882 20 5 CDBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000035677763 329501440 /nfs/dbraw/zinc/50/14/40/329501440.db2.gz SILJOCWXRJCWDQ-CYBMUJFWSA-N 1 2 280.324 1.925 20 5 CDBDLO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CC ZINC000183581382 521269996 /nfs/dbraw/zinc/26/99/96/521269996.db2.gz VPMJGGGUWSRPBT-CMPLNLGQSA-N 1 2 298.343 1.359 20 5 CDBDLO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000235152082 525003470 /nfs/dbraw/zinc/00/34/70/525003470.db2.gz UPAXNRLPAOHTOZ-RNFRBKRXSA-N 1 2 253.258 1.222 20 5 CDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOCC23CC3)c1 ZINC000338599876 527390508 /nfs/dbraw/zinc/39/05/08/527390508.db2.gz SIVCKGGMTNYQGX-UHFFFAOYSA-N 1 2 278.308 1.838 20 5 CDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOCC23CC3)c1 ZINC000338599876 527390513 /nfs/dbraw/zinc/39/05/13/527390513.db2.gz SIVCKGGMTNYQGX-UHFFFAOYSA-N 1 2 278.308 1.838 20 5 CDBDLO Cn1cc[nH+]c1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148525055 527437341 /nfs/dbraw/zinc/43/73/41/527437341.db2.gz VQVBQOQUVWESBH-UHFFFAOYSA-N 1 2 267.676 1.989 20 5 CDBDLO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262270181 534937929 /nfs/dbraw/zinc/93/79/29/534937929.db2.gz VQFRCQLAYRJPRW-UHFFFAOYSA-N 1 2 281.312 1.548 20 5 CDBDLO Cn1c[nH+]cc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000754685142 575057437 /nfs/dbraw/zinc/05/74/37/575057437.db2.gz ABJCXORJPIBQAA-UHFFFAOYSA-N 1 2 279.227 1.824 20 5 CDBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000768503679 576290643 /nfs/dbraw/zinc/29/06/43/576290643.db2.gz JTEHIBMTLRDPEO-SECBINFHSA-N 1 2 284.316 1.111 20 5 CDBDLO CC(C)c1[nH+]ccn1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764021237 576774326 /nfs/dbraw/zinc/77/43/26/576774326.db2.gz ILBHLEMTVWOHGB-UHFFFAOYSA-N 1 2 292.299 1.068 20 5 CDBDLO COC1(C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000759049459 577149764 /nfs/dbraw/zinc/14/97/64/577149764.db2.gz LZNXVHWPNVMYRP-LBPRGKRZSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246890 619493264 /nfs/dbraw/zinc/49/32/64/619493264.db2.gz QXOUJWOLVXHDEZ-JQWIXIFHSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246890 619493270 /nfs/dbraw/zinc/49/32/70/619493270.db2.gz QXOUJWOLVXHDEZ-JQWIXIFHSA-N 1 2 279.344 1.036 20 5 CDBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1=O ZINC000895804677 619853555 /nfs/dbraw/zinc/85/35/55/619853555.db2.gz UTRNEWJJPZJLQX-JQWIXIFHSA-N 1 2 278.308 1.821 20 5 CDBDLO CCn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000899867474 622493919 /nfs/dbraw/zinc/49/39/19/622493919.db2.gz PTTUROHWHVORIH-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO CCn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000899867474 622493926 /nfs/dbraw/zinc/49/39/26/622493926.db2.gz PTTUROHWHVORIH-UHFFFAOYSA-N 1 2 289.339 1.881 20 5 CDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC001609600170 1164999088 /nfs/dbraw/zinc/99/90/88/1164999088.db2.gz UKXYICSUMNTMBL-SNVBAGLBSA-N 1 2 292.274 1.319 20 5 CDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC001609600170 1164999096 /nfs/dbraw/zinc/99/90/96/1164999096.db2.gz UKXYICSUMNTMBL-SNVBAGLBSA-N 1 2 292.274 1.319 20 5 CDBDLO CN(C)c1cc(Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000782111348 782462591 /nfs/dbraw/zinc/46/25/91/782462591.db2.gz RTCHIJGYGVEQNG-UHFFFAOYSA-N 1 2 274.280 1.266 20 5 CDBDLO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840379636 782586013 /nfs/dbraw/zinc/58/60/13/782586013.db2.gz OFMUTHQPDOIIFP-DGCLKSJQSA-N 1 2 277.324 1.660 20 5 CDBDLO O=C(Cc1[nH]cc[nH+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000816955677 780838749 /nfs/dbraw/zinc/83/87/49/780838749.db2.gz KILOXVDSBRZIDU-UHFFFAOYSA-N 1 2 286.251 1.375 20 5 CDBDLO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000825017732 781174648 /nfs/dbraw/zinc/17/46/48/781174648.db2.gz YJLVGJQRTHWHON-VXGBXAGGSA-N 1 2 286.715 1.440 20 5 CDBDLO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000825017732 781174661 /nfs/dbraw/zinc/17/46/61/781174661.db2.gz YJLVGJQRTHWHON-VXGBXAGGSA-N 1 2 286.715 1.440 20 5 CDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C#N)CC1 ZINC001173238426 912362832 /nfs/dbraw/zinc/36/28/32/912362832.db2.gz SFDMZOSAWOFUOA-GFCCVEGCSA-N 1 2 274.324 1.624 20 5 CDBDLO COc1cnc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167616525 897055289 /nfs/dbraw/zinc/05/52/89/897055289.db2.gz ALSRTALRFGTZJQ-UHFFFAOYSA-N 1 2 275.268 1.588 20 5 CDBDLO CC[NH2+]Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000843144652 920303246 /nfs/dbraw/zinc/30/32/46/920303246.db2.gz FZZTULFQLAVTCD-UHFFFAOYSA-N 1 2 276.296 1.873 20 5 CDBDLO COC(=O)[C@@H](C)C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000102652689 924991357 /nfs/dbraw/zinc/99/13/57/924991357.db2.gz VYGBQFDKMSAQRG-VIFPVBQESA-N 1 2 282.300 1.022 20 5 CDBDLO COC(=O)[C@@H](C)C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000102652689 924991361 /nfs/dbraw/zinc/99/13/61/924991361.db2.gz VYGBQFDKMSAQRG-VIFPVBQESA-N 1 2 282.300 1.022 20 5 CDBDLO C[NH2+][C@@H]1CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001156645953 928873846 /nfs/dbraw/zinc/87/38/46/928873846.db2.gz CRTKIQSOCBHZPR-QMMMGPOBSA-N 1 2 292.673 1.944 20 5 CDBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930555954 933399385 /nfs/dbraw/zinc/39/93/85/933399385.db2.gz YQVHHSGXTHHAHL-LLVKDONJSA-N 1 2 267.304 1.613 20 5 CDBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[N+](=O)[O-] ZINC000930555954 933399391 /nfs/dbraw/zinc/39/93/91/933399391.db2.gz YQVHHSGXTHHAHL-LLVKDONJSA-N 1 2 267.304 1.613 20 5 CDBDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000931656997 933602844 /nfs/dbraw/zinc/60/28/44/933602844.db2.gz WIIUZDWDVFJISG-NSHDSACASA-N 1 2 299.277 1.487 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000802010260 936020870 /nfs/dbraw/zinc/02/08/70/936020870.db2.gz AXJCHRBSNBSVAE-CHWSQXEVSA-N 1 2 284.287 1.035 20 5 CDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000802010260 936020873 /nfs/dbraw/zinc/02/08/73/936020873.db2.gz AXJCHRBSNBSVAE-CHWSQXEVSA-N 1 2 284.287 1.035 20 5 CDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001159300243 938718944 /nfs/dbraw/zinc/71/89/44/938718944.db2.gz XJIKDUNJGLAYAP-UHFFFAOYSA-N 1 2 291.311 1.308 20 5 CDBDLO C[N@@H+]1CCO[C@@H](CNc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001162690703 939120574 /nfs/dbraw/zinc/12/05/74/939120574.db2.gz ZYKYZMSRSGKUQH-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO C[N@H+]1CCO[C@@H](CNc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001162690703 939120575 /nfs/dbraw/zinc/12/05/75/939120575.db2.gz ZYKYZMSRSGKUQH-VIFPVBQESA-N 1 2 291.311 1.214 20 5 CDBDLO O=[N+]([O-])C[C@@H](OCCn1cc[nH+]c1)c1cccnc1 ZINC001222134224 941567852 /nfs/dbraw/zinc/56/78/52/941567852.db2.gz CABNLINAKZYGJN-GFCCVEGCSA-N 1 2 262.269 1.313 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796803 941914524 /nfs/dbraw/zinc/91/45/24/941914524.db2.gz MLAAHIYEPVYUDO-SECBINFHSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796803 941914526 /nfs/dbraw/zinc/91/45/26/941914526.db2.gz MLAAHIYEPVYUDO-SECBINFHSA-N 1 2 270.260 1.443 20 5 CDBDLO CC[NH+]1CC(Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234048580 943725919 /nfs/dbraw/zinc/72/59/19/943725919.db2.gz MQGUZZYEQVGGTR-UHFFFAOYSA-N 1 2 280.280 1.464 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ncon1)C2 ZINC001254567007 947528458 /nfs/dbraw/zinc/52/84/58/947528458.db2.gz MHVCNSLQMQTOPE-SNVBAGLBSA-N 1 2 260.253 1.235 20 5 CDBDLO CCOC(=O)C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595006 947547211 /nfs/dbraw/zinc/54/72/11/947547211.db2.gz UQWXPJKNZZWQBR-CYBMUJFWSA-N 1 2 278.308 1.557 20 5 CDBDLO CCOC(=O)C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595006 947547222 /nfs/dbraw/zinc/54/72/22/947547222.db2.gz UQWXPJKNZZWQBR-CYBMUJFWSA-N 1 2 278.308 1.557 20 5 CDBDLO C[NH+](C)Cc1nnc(Cc2cccc([N+](=O)[O-])c2)o1 ZINC001326292049 954303304 /nfs/dbraw/zinc/30/33/04/954303304.db2.gz FOHPEKAQTCYIIY-UHFFFAOYSA-N 1 2 262.269 1.630 20 5 CDBDLO O=C1OCC[C@H]1CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319030467 958340468 /nfs/dbraw/zinc/34/04/68/958340468.db2.gz UYRJQDSGDWBQFD-SNVBAGLBSA-N 1 2 276.292 1.864 20 5 CDBDLO O=C1OCC[C@H]1CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319030467 958340480 /nfs/dbraw/zinc/34/04/80/958340480.db2.gz UYRJQDSGDWBQFD-SNVBAGLBSA-N 1 2 276.292 1.864 20 5 CDBDLO Cc1ccnc(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000590567821 342576119 /nfs/dbraw/zinc/57/61/19/342576119.db2.gz SEYUIOLAAVOJCY-UHFFFAOYSA-N 1 2 259.269 1.584 20 5 CDBDLO CC(C)[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132104 342051510 /nfs/dbraw/zinc/05/15/10/342051510.db2.gz ZZPKHBKWVOWZAQ-UHFFFAOYSA-N 1 2 292.295 1.432 20 5 CDBDLO CC(C)[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132104 342051511 /nfs/dbraw/zinc/05/15/11/342051511.db2.gz ZZPKHBKWVOWZAQ-UHFFFAOYSA-N 1 2 292.295 1.432 20 5 CDBDLO Cc1nn(C)c(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000048545992 342092799 /nfs/dbraw/zinc/09/27/99/342092799.db2.gz SINNHJJXACTDOM-UHFFFAOYSA-N 1 2 276.300 1.556 20 5 CDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1[NH3+] ZINC000592331747 342685516 /nfs/dbraw/zinc/68/55/16/342685516.db2.gz PEIUIGNVFKULBM-MWLCHTKSSA-N 1 2 293.323 1.500 20 5 CDBDLO Cc1noc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000594053482 342872614 /nfs/dbraw/zinc/87/26/14/342872614.db2.gz QNWKJMZSDDTPIG-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO Cc1noc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000594053482 342872615 /nfs/dbraw/zinc/87/26/15/342872615.db2.gz QNWKJMZSDDTPIG-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595299922 343027604 /nfs/dbraw/zinc/02/76/04/343027604.db2.gz GUJFUHPBJWLNFZ-LLVKDONJSA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595299922 343027607 /nfs/dbraw/zinc/02/76/07/343027607.db2.gz GUJFUHPBJWLNFZ-LLVKDONJSA-N 1 2 291.311 1.925 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000075848546 342314966 /nfs/dbraw/zinc/31/49/66/342314966.db2.gz LTXCOJCRUXSVFE-MRVPVSSYSA-N 1 2 280.309 1.671 20 5 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295.339 1.761 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CO)CCCC1 ZINC000339045298 361227538 /nfs/dbraw/zinc/22/75/38/361227538.db2.gz SUGUQEPNIFVWRG-UHFFFAOYSA-N 1 2 266.297 1.695 20 5 CDBDLO COC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000172882442 363841664 /nfs/dbraw/zinc/84/16/64/363841664.db2.gz YDFFDPVKKGLUHF-GFCCVEGCSA-N 1 2 296.323 1.321 20 5 CDBDLO COC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000172882442 363841670 /nfs/dbraw/zinc/84/16/70/363841670.db2.gz YDFFDPVKKGLUHF-GFCCVEGCSA-N 1 2 296.323 1.321 20 5 CDBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000361383563 364428687 /nfs/dbraw/zinc/42/86/87/364428687.db2.gz DDJKGRFXRDQVBU-JTQLQIEISA-N 1 2 279.296 1.254 20 5 CDBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000361383563 364428693 /nfs/dbraw/zinc/42/86/93/364428693.db2.gz DDJKGRFXRDQVBU-JTQLQIEISA-N 1 2 279.296 1.254 20 5 CDBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000275383983 193016627 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O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274176520 374155187 /nfs/dbraw/zinc/15/51/87/374155187.db2.gz NVLDFLKJMCPZRK-QWRGUYRKSA-N 1 2 286.715 1.176 20 5 CDBDLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000114335976 374304358 /nfs/dbraw/zinc/30/43/58/374304358.db2.gz XVSWSWNUTOHHPV-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000531949682 374519661 /nfs/dbraw/zinc/51/96/61/374519661.db2.gz WHYCYURVRQTTFN-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000531949682 374519666 /nfs/dbraw/zinc/51/96/66/374519666.db2.gz WHYCYURVRQTTFN-LLVKDONJSA-N 1 2 280.328 1.431 20 5 CDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C[NH3+])C1CC1 ZINC000423941821 246240468 /nfs/dbraw/zinc/24/04/68/246240468.db2.gz DDELYHOCNVPCEA-LLVKDONJSA-N 1 2 279.296 1.110 20 5 CDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493465028 375456275 /nfs/dbraw/zinc/45/62/75/375456275.db2.gz QEFHJFVNOYUOSZ-SREVYHEPSA-N 1 2 286.291 1.990 20 5 CDBDLO Cn1cc[nH+]c1[C@H](NCCF)c1cccc([N+](=O)[O-])c1 ZINC000353587149 375630126 /nfs/dbraw/zinc/63/01/26/375630126.db2.gz FYCPWCCFNZSQEB-GFCCVEGCSA-N 1 2 278.287 1.977 20 5 CDBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000133143150 375698848 /nfs/dbraw/zinc/69/88/48/375698848.db2.gz UJVOIVPFSPFXGE-UHFFFAOYSA-N 1 2 284.275 1.761 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N(C)CC[NH+]1CCOCC1 ZINC000134116591 375914735 /nfs/dbraw/zinc/91/47/35/375914735.db2.gz LLJGZDOGGOISAH-UHFFFAOYSA-N 1 2 279.340 1.672 20 5 CDBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])o1 ZINC000452756056 252163587 /nfs/dbraw/zinc/16/35/87/252163587.db2.gz NFHXLWNLVQWFHW-UHFFFAOYSA-N 1 2 276.252 1.973 20 5 CDBDLO O=C(CCc1[nH]cc[nH+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000280961240 195047699 /nfs/dbraw/zinc/04/76/99/195047699.db2.gz NIFLLVZZQUPRCD-UHFFFAOYSA-N 1 2 286.291 1.840 20 5 CDBDLO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262020529 131184057 /nfs/dbraw/zinc/18/40/57/131184057.db2.gz CWNWNZINALTKDZ-CQSZACIVSA-N 1 2 295.339 1.794 20 5 CDBDLO Cc1nc(NCCOc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000525706138 392936794 /nfs/dbraw/zinc/93/67/94/392936794.db2.gz BXQOKMNGCQWGRZ-UHFFFAOYSA-N 1 2 274.280 1.606 20 5 CDBDLO Cc1c(C(=O)NCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000343284184 152102240 /nfs/dbraw/zinc/10/22/40/152102240.db2.gz FTSXOEGZXKDNIQ-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000344014581 152390075 /nfs/dbraw/zinc/39/00/75/152390075.db2.gz KGISMHSNPZDIBC-UHFFFAOYSA-N 1 2 290.283 1.042 20 5 CDBDLO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1[N+](=O)[O-] ZINC000350462588 154387734 /nfs/dbraw/zinc/38/77/34/154387734.db2.gz PLTLPHDNLZWEPO-UHFFFAOYSA-N 1 2 290.279 1.280 20 5 CDBDLO CCn1ncnc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000355600405 157138300 /nfs/dbraw/zinc/13/83/00/157138300.db2.gz QIFKXJLUDCAXIU-UHFFFAOYSA-N 1 2 275.312 1.804 20 5 CDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358423566 157936025 /nfs/dbraw/zinc/93/60/25/157936025.db2.gz OPFOEDWKUHYQIT-UHFFFAOYSA-N 1 2 292.270 1.658 20 5 CDBDLO O=C1OC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000363841586 159345847 /nfs/dbraw/zinc/34/58/47/159345847.db2.gz JLCJQJHDFNARJQ-GFCCVEGCSA-N 1 2 277.280 1.231 20 5 CDBDLO O=C1OC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000363841586 159345848 /nfs/dbraw/zinc/34/58/48/159345848.db2.gz JLCJQJHDFNARJQ-GFCCVEGCSA-N 1 2 277.280 1.231 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000372385741 160114884 /nfs/dbraw/zinc/11/48/84/160114884.db2.gz QOPNYFSWKUFIPL-SNVBAGLBSA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000372385741 160114886 /nfs/dbraw/zinc/11/48/86/160114886.db2.gz QOPNYFSWKUFIPL-SNVBAGLBSA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NC1CC1 ZINC000343587180 287152133 /nfs/dbraw/zinc/15/21/33/287152133.db2.gz HHSRCNGODXCHHX-JTQLQIEISA-N 1 2 277.324 1.866 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NC1CC1 ZINC000343587180 287152134 /nfs/dbraw/zinc/15/21/34/287152134.db2.gz HHSRCNGODXCHHX-JTQLQIEISA-N 1 2 277.324 1.866 20 5 CDBDLO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000391939057 265030715 /nfs/dbraw/zinc/03/07/15/265030715.db2.gz ZUTLAPCDGWBEMY-SNVBAGLBSA-N 1 2 291.311 1.453 20 5 CDBDLO O=C1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000118966274 279351141 /nfs/dbraw/zinc/35/11/41/279351141.db2.gz BWXJXEKWEMITFG-UHFFFAOYSA-N 1 2 283.715 1.570 20 5 CDBDLO O=C1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000118966274 279351145 /nfs/dbraw/zinc/35/11/45/279351145.db2.gz BWXJXEKWEMITFG-UHFFFAOYSA-N 1 2 283.715 1.570 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445268 280209438 /nfs/dbraw/zinc/20/94/38/280209438.db2.gz KFQXGRVTFLNZQR-NXEZZACHSA-N 1 2 294.311 1.038 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445268 280209441 /nfs/dbraw/zinc/20/94/41/280209441.db2.gz KFQXGRVTFLNZQR-NXEZZACHSA-N 1 2 294.311 1.038 20 5 CDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000378264387 280678606 /nfs/dbraw/zinc/67/86/06/280678606.db2.gz KHAFPSHOEHXKTM-SECBINFHSA-N 1 2 290.279 1.551 20 5 CDBDLO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000275960575 289057917 /nfs/dbraw/zinc/05/79/17/289057917.db2.gz KONCUWJOVMAROJ-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO COC(=O)C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000066495679 522803060 /nfs/dbraw/zinc/80/30/60/522803060.db2.gz GJTGGAPXMGJTGF-UHFFFAOYSA-N 1 2 282.296 1.515 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000055017343 524082676 /nfs/dbraw/zinc/08/26/76/524082676.db2.gz FSCKJGPTEWTUJH-NSHDSACASA-N 1 2 293.323 1.314 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000055017343 524082677 /nfs/dbraw/zinc/08/26/77/524082677.db2.gz FSCKJGPTEWTUJH-NSHDSACASA-N 1 2 293.323 1.314 20 5 CDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000354560078 526630256 /nfs/dbraw/zinc/63/02/56/526630256.db2.gz LKISGVZAVDWHTE-QMMMGPOBSA-N 1 2 276.256 1.018 20 5 CDBDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000269055849 536467311 /nfs/dbraw/zinc/46/73/11/536467311.db2.gz XDBYJEBGDHYFSE-LLVKDONJSA-N 1 2 297.742 1.911 20 5 CDBDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000269055849 536467315 /nfs/dbraw/zinc/46/73/15/536467315.db2.gz XDBYJEBGDHYFSE-LLVKDONJSA-N 1 2 297.742 1.911 20 5 CDBDLO O=[N+]([O-])c1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000731902237 575069633 /nfs/dbraw/zinc/06/96/33/575069633.db2.gz CMFMGCQOHHDRHC-UHFFFAOYSA-N 1 2 292.251 1.614 20 5 CDBDLO Cn1c[nH+]cc1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000753147974 577149043 /nfs/dbraw/zinc/14/90/43/577149043.db2.gz SLSAXIGBTHHNMZ-UHFFFAOYSA-N 1 2 261.237 1.685 20 5 CDBDLO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895246680 619491909 /nfs/dbraw/zinc/49/19/09/619491909.db2.gz PBKSSZDKBGQNOW-GXSJLCMTSA-N 1 2 284.385 1.703 20 5 CDBDLO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895246680 619491912 /nfs/dbraw/zinc/49/19/12/619491912.db2.gz PBKSSZDKBGQNOW-GXSJLCMTSA-N 1 2 284.385 1.703 20 5 CDBDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000913539002 630541097 /nfs/dbraw/zinc/54/10/97/630541097.db2.gz ZJGCQBAIDBQDCD-DTORHVGOSA-N 1 2 281.337 1.575 20 5 CDBDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000913539002 630541100 /nfs/dbraw/zinc/54/11/00/630541100.db2.gz ZJGCQBAIDBQDCD-DTORHVGOSA-N 1 2 281.337 1.575 20 5 CDBDLO CC1(C)COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153770773 631865944 /nfs/dbraw/zinc/86/59/44/631865944.db2.gz ROSGVEOMYFRCMC-CYBMUJFWSA-N 1 2 280.324 1.739 20 5 CDBDLO CC1(C)COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153770773 631865947 /nfs/dbraw/zinc/86/59/47/631865947.db2.gz ROSGVEOMYFRCMC-CYBMUJFWSA-N 1 2 280.324 1.739 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001155196530 1167104460 /nfs/dbraw/zinc/10/44/60/1167104460.db2.gz NTLDLTOFYGYLEZ-SECBINFHSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001155196530 1167104462 /nfs/dbraw/zinc/10/44/62/1167104462.db2.gz NTLDLTOFYGYLEZ-SECBINFHSA-N 1 2 286.719 1.386 20 5 CDBDLO Cc1c[nH]c(Nc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])[nH+]1 ZINC001581321025 1172603201 /nfs/dbraw/zinc/60/32/01/1172603201.db2.gz QBUSZMTWAFJBQJ-UHFFFAOYSA-N 1 2 292.284 1.612 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586559 785885998 /nfs/dbraw/zinc/88/59/98/785885998.db2.gz DDERRIPWHSJCST-BDAKNGLRSA-N 1 2 290.327 1.717 20 5 CDBDLO CO[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000840128032 786200870 /nfs/dbraw/zinc/20/08/70/786200870.db2.gz UMEFNTALUYPYNU-GXSJLCMTSA-N 1 2 254.290 1.106 20 5 CDBDLO CO[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000840128032 786200877 /nfs/dbraw/zinc/20/08/77/786200877.db2.gz UMEFNTALUYPYNU-GXSJLCMTSA-N 1 2 254.290 1.106 20 5 CDBDLO CNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827862462 787534218 /nfs/dbraw/zinc/53/42/18/787534218.db2.gz GIXIEUSWLYXPOS-UHFFFAOYSA-N 1 2 271.704 1.426 20 5 CDBDLO CNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827862462 787534242 /nfs/dbraw/zinc/53/42/42/787534242.db2.gz GIXIEUSWLYXPOS-UHFFFAOYSA-N 1 2 271.704 1.426 20 5 CDBDLO CC(C)[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000837680497 787632134 /nfs/dbraw/zinc/63/21/34/787632134.db2.gz IOWKFGLXFQEGJE-ZDUSSCGKSA-N 1 2 296.323 1.930 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000874012702 788258462 /nfs/dbraw/zinc/25/84/62/788258462.db2.gz YLKFNJWUPBNMGC-UHFFFAOYSA-N 1 2 288.307 1.838 20 5 CDBDLO Cc1noc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000106081897 789090612 /nfs/dbraw/zinc/09/06/12/789090612.db2.gz 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Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCO)Cc1ccccc1 ZINC000355937275 157291643 /nfs/dbraw/zinc/29/16/43/157291643.db2.gz TVMMMSMTKFXOKW-UHFFFAOYSA-N 1 2 290.323 1.323 20 5 CDBDLO Cc1[nH]c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2[nH+]1 ZINC000358865448 158057385 /nfs/dbraw/zinc/05/73/85/158057385.db2.gz YAHIRUIDOHHKEY-UHFFFAOYSA-N 1 2 258.241 1.419 20 5 CDBDLO Cc1[nH]c2cc(Cn3cnc([N+](=O)[O-])n3)ccc2[nH+]1 ZINC000358865448 158057387 /nfs/dbraw/zinc/05/73/87/158057387.db2.gz YAHIRUIDOHHKEY-UHFFFAOYSA-N 1 2 258.241 1.419 20 5 CDBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359830339 158391936 /nfs/dbraw/zinc/39/19/36/158391936.db2.gz IPUIMHDUNQMOPZ-ZDUSSCGKSA-N 1 2 284.287 1.317 20 5 CDBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359830339 158391938 /nfs/dbraw/zinc/39/19/38/158391938.db2.gz IPUIMHDUNQMOPZ-ZDUSSCGKSA-N 1 2 284.287 1.317 20 5 CDBDLO CC[C@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cn2)CCO1 ZINC000362671392 159209333 /nfs/dbraw/zinc/20/93/33/159209333.db2.gz 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303369771 /nfs/dbraw/zinc/36/97/71/303369771.db2.gz YGHNFUKRDWTBBZ-UHFFFAOYSA-N 1 2 279.296 1.758 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000427358786 536885704 /nfs/dbraw/zinc/88/57/04/536885704.db2.gz KJHCXAAXTVLRFE-UHFFFAOYSA-N 1 2 287.275 1.981 20 5 CDBDLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750094175 574578057 /nfs/dbraw/zinc/57/80/57/574578057.db2.gz ADGLDGJQKDCLIA-GWCFXTLKSA-N 1 2 296.323 1.512 20 5 CDBDLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750094175 574578061 /nfs/dbraw/zinc/57/80/61/574578061.db2.gz ADGLDGJQKDCLIA-GWCFXTLKSA-N 1 2 296.323 1.512 20 5 CDBDLO Cc1nn(C[N@@H+]2CCCOCC2)c(C)c1[N+](=O)[O-] ZINC000748073018 576894323 /nfs/dbraw/zinc/89/43/23/576894323.db2.gz PPHSCYPYPVAGGR-UHFFFAOYSA-N 1 2 254.290 1.088 20 5 CDBDLO Cc1nn(C[N@H+]2CCCOCC2)c(C)c1[N+](=O)[O-] ZINC000748073018 576894325 /nfs/dbraw/zinc/89/43/25/576894325.db2.gz PPHSCYPYPVAGGR-UHFFFAOYSA-N 1 2 254.290 1.088 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000843299330 618701736 /nfs/dbraw/zinc/70/17/36/618701736.db2.gz YSNCUWPDVRBKCP-UHFFFAOYSA-N 1 2 261.285 1.982 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000895805461 619853750 /nfs/dbraw/zinc/85/37/50/619853750.db2.gz URKMIQINRSZLJC-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000895805460 619853929 /nfs/dbraw/zinc/85/39/29/619853929.db2.gz URKMIQINRSZLJC-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cn1)C2 ZINC000896655474 620185187 /nfs/dbraw/zinc/18/51/87/620185187.db2.gz XDZUVJVYANXODU-UHFFFAOYSA-N 1 2 273.296 1.769 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC000128907201 1158831101 /nfs/dbraw/zinc/83/11/01/1158831101.db2.gz DBMHJOSUFQIMHR-SECBINFHSA-N 1 2 287.266 1.616 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC000128907201 1158831110 /nfs/dbraw/zinc/83/11/10/1158831110.db2.gz DBMHJOSUFQIMHR-SECBINFHSA-N 1 2 287.266 1.616 20 5 CDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1COCC[NH2+]1 ZINC001574137192 1170894488 /nfs/dbraw/zinc/89/44/88/1170894488.db2.gz LFPUABCQWIICLD-SNVBAGLBSA-N 1 2 299.714 1.484 20 5 CDBDLO Cc1cnc(COC(=O)[C@@H]2CCCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC001574172344 1170902792 /nfs/dbraw/zinc/90/27/92/1170902792.db2.gz DRWAHFMNTFDYTI-NSHDSACASA-N 1 2 293.323 1.792 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000793251998 791342752 /nfs/dbraw/zinc/34/27/52/791342752.db2.gz VVTOYSAVUCWOCZ-UHFFFAOYSA-N 1 2 289.291 1.657 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000817283028 791714422 /nfs/dbraw/zinc/71/44/22/791714422.db2.gz VCNKUECLHYFYNJ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000817283028 791714430 /nfs/dbraw/zinc/71/44/30/791714430.db2.gz VCNKUECLHYFYNJ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO Cn1cc[nH+]c1CCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835330035 793743533 /nfs/dbraw/zinc/74/35/33/793743533.db2.gz OTANRUNLIAORMH-UHFFFAOYSA-N 1 2 283.328 1.731 20 5 CDBDLO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840183809 793791036 /nfs/dbraw/zinc/79/10/36/793791036.db2.gz JKEZAVMYZGOEOH-ZDUSSCGKSA-N 1 2 296.327 1.332 20 5 CDBDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840183809 793791052 /nfs/dbraw/zinc/79/10/52/793791052.db2.gz JKEZAVMYZGOEOH-ZDUSSCGKSA-N 1 2 296.327 1.332 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000886269380 795474707 /nfs/dbraw/zinc/47/47/07/795474707.db2.gz UBCKBWJMBBXLNV-DTORHVGOSA-N 1 2 255.224 1.687 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000886269380 795474713 /nfs/dbraw/zinc/47/47/13/795474713.db2.gz UBCKBWJMBBXLNV-DTORHVGOSA-N 1 2 255.224 1.687 20 5 CDBDLO CC[N@H+](C[C@@H]1CCCO1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000194007168 795898724 /nfs/dbraw/zinc/89/87/24/795898724.db2.gz QQEKWBACBUBKLD-LBPRGKRZSA-N 1 2 282.344 1.867 20 5 CDBDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000194007168 795898725 /nfs/dbraw/zinc/89/87/25/795898725.db2.gz QQEKWBACBUBKLD-LBPRGKRZSA-N 1 2 282.344 1.867 20 5 CDBDLO C[C@H]1CSCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016330 796016837 /nfs/dbraw/zinc/01/68/37/796016837.db2.gz BZKPPIOAPAXRAV-VIFPVBQESA-N 1 2 253.327 1.927 20 5 CDBDLO C[C@H]1CSCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016330 796016844 /nfs/dbraw/zinc/01/68/44/796016844.db2.gz BZKPPIOAPAXRAV-VIFPVBQESA-N 1 2 253.327 1.927 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1c[nH]nn1)CC2 ZINC001327871069 955086690 /nfs/dbraw/zinc/08/66/90/955086690.db2.gz VUWVDZVKIMGALU-UHFFFAOYSA-N 1 2 273.296 1.314 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1c[nH]nn1)CC2 ZINC001327871069 955086705 /nfs/dbraw/zinc/08/67/05/955086705.db2.gz VUWVDZVKIMGALU-UHFFFAOYSA-N 1 2 273.296 1.314 20 5 CDBDLO O=C(CC[NH2+]CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001335382401 959756614 /nfs/dbraw/zinc/75/66/14/959756614.db2.gz URHDDTQMAOMBTI-UHFFFAOYSA-N 1 2 273.239 1.778 20 5 CDBDLO Cc1c[nH]c(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000600165853 341982050 /nfs/dbraw/zinc/98/20/50/341982050.db2.gz VHTURVOBPBFAEB-UHFFFAOYSA-N 1 2 288.307 1.890 20 5 CDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]1 ZINC000565108940 365586130 /nfs/dbraw/zinc/58/61/30/365586130.db2.gz YZSQTNLCSGZRKB-UHFFFAOYSA-N 1 2 277.284 1.620 20 5 CDBDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330570787 365617963 /nfs/dbraw/zinc/61/79/63/365617963.db2.gz IRGDTBBEFVIGJP-GFCCVEGCSA-N 1 2 293.323 1.401 20 5 CDBDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330570787 365617967 /nfs/dbraw/zinc/61/79/67/365617967.db2.gz IRGDTBBEFVIGJP-GFCCVEGCSA-N 1 2 293.323 1.401 20 5 CDBDLO Cn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000594501036 342914394 /nfs/dbraw/zinc/91/43/94/342914394.db2.gz QIILYRKXRONJOO-GFCCVEGCSA-N 1 2 273.296 1.500 20 5 CDBDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000595450280 343065889 /nfs/dbraw/zinc/06/58/89/343065889.db2.gz UEDATGGSRMNRCX-TVQRCGJNSA-N 1 2 295.314 1.820 20 5 CDBDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000595450280 343065890 /nfs/dbraw/zinc/06/58/90/343065890.db2.gz UEDATGGSRMNRCX-TVQRCGJNSA-N 1 2 295.314 1.820 20 5 CDBDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH+]1 ZINC000371247186 362048583 /nfs/dbraw/zinc/04/85/83/362048583.db2.gz KYARUWHCEBYHGI-ZYHUDNBSSA-N 1 2 286.291 1.989 20 5 CDBDLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595764547 343145143 /nfs/dbraw/zinc/14/51/43/343145143.db2.gz BFURIECGZXVGTR-JOYOIKCWSA-N 1 2 266.297 1.646 20 5 CDBDLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595764547 343145145 /nfs/dbraw/zinc/14/51/45/343145145.db2.gz BFURIECGZXVGTR-JOYOIKCWSA-N 1 2 266.297 1.646 20 5 CDBDLO Cc1nn(C)c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596431554 343319665 /nfs/dbraw/zinc/31/96/65/343319665.db2.gz OZJZIPYJGKHNGM-VHSXEESVSA-N 1 2 297.359 1.158 20 5 CDBDLO Cc1nn(C)c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596431554 343319666 /nfs/dbraw/zinc/31/96/66/343319666.db2.gz OZJZIPYJGKHNGM-VHSXEESVSA-N 1 2 297.359 1.158 20 5 CDBDLO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000090884203 342397654 /nfs/dbraw/zinc/39/76/54/342397654.db2.gz JMDQMXRPIPFKSU-MFKMUULPSA-N 1 2 290.323 1.713 20 5 CDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000437002569 362250278 /nfs/dbraw/zinc/25/02/78/362250278.db2.gz SXHWOLABEFQKEQ-VHSXEESVSA-N 1 2 293.323 1.513 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC1(C)C ZINC000602762990 344584003 /nfs/dbraw/zinc/58/40/03/344584003.db2.gz IQGQKUOUBVFSNX-UHFFFAOYSA-N 1 2 268.317 1.211 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC1(C)C ZINC000602762990 344584006 /nfs/dbraw/zinc/58/40/06/344584006.db2.gz IQGQKUOUBVFSNX-UHFFFAOYSA-N 1 2 268.317 1.211 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCSC[C@@H]1CO ZINC000343715124 362507399 /nfs/dbraw/zinc/50/73/99/362507399.db2.gz HYGWCYIHKIRYBL-VIFPVBQESA-N 1 2 286.328 1.644 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC[C@@H]1CO ZINC000343715124 362507403 /nfs/dbraw/zinc/50/74/03/362507403.db2.gz HYGWCYIHKIRYBL-VIFPVBQESA-N 1 2 286.328 1.644 20 5 CDBDLO COCC[N@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000051921588 345207587 /nfs/dbraw/zinc/20/75/87/345207587.db2.gz YOJPLVLFUVHOQZ-UHFFFAOYSA-N 1 2 295.339 1.131 20 5 CDBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000051921588 345207590 /nfs/dbraw/zinc/20/75/90/345207590.db2.gz YOJPLVLFUVHOQZ-UHFFFAOYSA-N 1 2 295.339 1.131 20 5 CDBDLO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273262261 192091403 /nfs/dbraw/zinc/09/14/03/192091403.db2.gz NCDHZTJQIBBPHD-UHFFFAOYSA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1nn(C)c(NCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000280602635 351439227 /nfs/dbraw/zinc/43/92/27/351439227.db2.gz 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ZINC000184234217 357480514 /nfs/dbraw/zinc/48/05/14/357480514.db2.gz GTONGLPKKLQULQ-JTQLQIEISA-N 1 2 284.287 1.699 20 5 CDBDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C ZINC000408085697 357817766 /nfs/dbraw/zinc/81/77/66/357817766.db2.gz BZRBKCMUQPQJSH-ZJUUUORDSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1C ZINC000408085697 357817770 /nfs/dbraw/zinc/81/77/70/357817770.db2.gz BZRBKCMUQPQJSH-ZJUUUORDSA-N 1 2 293.323 1.465 20 5 CDBDLO CC[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192828089 358240709 /nfs/dbraw/zinc/24/07/09/358240709.db2.gz ICGDXVPOFQAFPR-JTQLQIEISA-N 1 2 281.312 1.548 20 5 CDBDLO Cn1cnnc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439834 358877848 /nfs/dbraw/zinc/87/78/48/358877848.db2.gz IMIXJXRYOKAEFU-UHFFFAOYSA-N 1 2 281.703 1.667 20 5 CDBDLO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2[nH+]ccn21 ZINC000450835189 359012585 /nfs/dbraw/zinc/01/25/85/359012585.db2.gz WMVDXBAJFIFKIT-RNFRBKRXSA-N 1 2 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/nfs/dbraw/zinc/03/83/04/176038304.db2.gz DXWBZUQAUNAARJ-UHFFFAOYSA-N 1 2 278.297 1.650 20 5 CDBDLO CC[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330591683 279363515 /nfs/dbraw/zinc/36/35/15/279363515.db2.gz ZKAYCYFBQZVSDO-UHFFFAOYSA-N 1 2 265.313 1.438 20 5 CDBDLO Cc1c(CC(=O)NCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000122422785 279418464 /nfs/dbraw/zinc/41/84/64/279418464.db2.gz AGHUEFJCXWPXOJ-UHFFFAOYSA-N 1 2 274.280 1.485 20 5 CDBDLO Cc1cc(=O)n(CCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000575762782 317011803 /nfs/dbraw/zinc/01/18/03/317011803.db2.gz GHNZDCJIADXLHY-UHFFFAOYSA-N 1 2 276.296 1.431 20 5 CDBDLO NC(=O)C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000183806515 323348475 /nfs/dbraw/zinc/34/84/75/323348475.db2.gz VMHJJZFLEUGTSS-UHFFFAOYSA-N 1 2 269.688 1.356 20 5 CDBDLO Cc1n[nH]c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000580560842 324499096 /nfs/dbraw/zinc/49/90/96/324499096.db2.gz ABZGYSUUCMLHKG-UHFFFAOYSA-N 1 2 278.272 1.015 20 5 CDBDLO O=C(C[N@@H+]1CCCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000363435846 526746481 /nfs/dbraw/zinc/74/64/81/526746481.db2.gz CEZKZUWXUKVSKB-UHFFFAOYSA-N 1 2 279.296 1.256 20 5 CDBDLO O=C(C[N@H+]1CCCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000363435846 526746483 /nfs/dbraw/zinc/74/64/83/526746483.db2.gz CEZKZUWXUKVSKB-UHFFFAOYSA-N 1 2 279.296 1.256 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000433772497 535323572 /nfs/dbraw/zinc/32/35/72/535323572.db2.gz YJAKJDUAJDAZNQ-UHFFFAOYSA-N 1 2 278.272 1.094 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000433772497 535323575 /nfs/dbraw/zinc/32/35/75/535323575.db2.gz YJAKJDUAJDAZNQ-UHFFFAOYSA-N 1 2 278.272 1.094 20 5 CDBDLO Cc1c(C(=O)OCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000755644390 576953426 /nfs/dbraw/zinc/95/34/26/576953426.db2.gz OHVFZKVAOLKLIX-UHFFFAOYSA-N 1 2 294.307 1.392 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1Cc2ccccc2C1 ZINC000892095178 617479460 /nfs/dbraw/zinc/47/94/60/617479460.db2.gz RONOLQJNMCSQDW-UHFFFAOYSA-N 1 2 287.323 1.756 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000895802398 619852479 /nfs/dbraw/zinc/85/24/79/619852479.db2.gz RVOMMICMGZNPCW-GFCCVEGCSA-N 1 2 294.355 1.700 20 5 CDBDLO CCn1c[nH+]c2c1CCN(c1c([N+](=O)[O-])c(C)nn1C)C2 ZINC000896659552 620180848 /nfs/dbraw/zinc/18/08/48/620180848.db2.gz LUVQQEKOFKUYBI-UHFFFAOYSA-N 1 2 290.327 1.416 20 5 CDBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449244 630557145 /nfs/dbraw/zinc/55/71/45/630557145.db2.gz ZNLSFJMKOBPOFX-WDEREUQCSA-N 1 2 282.344 1.884 20 5 CDBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449244 630557148 /nfs/dbraw/zinc/55/71/48/630557148.db2.gz ZNLSFJMKOBPOFX-WDEREUQCSA-N 1 2 282.344 1.884 20 5 CDBDLO O=[N+]([O-])c1ccc([C@@H](O)CN2CCn3c[nH+]cc3C2)cc1 ZINC000852066250 796605221 /nfs/dbraw/zinc/60/52/21/796605221.db2.gz PLJMYXUJIINERT-AWEZNQCLSA-N 1 2 288.307 1.341 20 5 CDBDLO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509886 796917661 /nfs/dbraw/zinc/91/76/61/796917661.db2.gz WFMAHJRCDZIOOB-WCQYABFASA-N 1 2 280.328 1.701 20 5 CDBDLO Cc1nn(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509886 796917668 /nfs/dbraw/zinc/91/76/68/796917668.db2.gz WFMAHJRCDZIOOB-WCQYABFASA-N 1 2 280.328 1.701 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000859307685 797449395 /nfs/dbraw/zinc/44/93/95/797449395.db2.gz GPHPCWZOHXKEIU-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000859307685 797449435 /nfs/dbraw/zinc/44/94/35/797449435.db2.gz GPHPCWZOHXKEIU-CQSZACIVSA-N 1 2 288.307 1.410 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413094172 797670725 /nfs/dbraw/zinc/67/07/25/797670725.db2.gz OYBDTOACXGBICS-MRVPVSSYSA-N 1 2 265.248 1.826 20 5 CDBDLO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001117740808 922054222 /nfs/dbraw/zinc/05/42/22/922054222.db2.gz FCHHHOKVEYUSML-NWDGAFQWSA-N 1 2 294.307 1.732 20 5 CDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(C)c2F)C[NH2+]1 ZINC001169137500 927753147 /nfs/dbraw/zinc/75/31/47/927753147.db2.gz ZFUHMIOXTRMNRR-KCJUWKMLSA-N 1 2 297.286 1.358 20 5 CDBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cc[nH+]1 ZINC000787597755 929396361 /nfs/dbraw/zinc/39/63/61/929396361.db2.gz IWMKPZMGGYKGKF-UHFFFAOYSA-N 1 2 288.263 1.511 20 5 CDBDLO Cc1cnc(NC2CN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001161319048 938888105 /nfs/dbraw/zinc/88/81/05/938888105.db2.gz IFLGEQSBRGSCOU-UHFFFAOYSA-N 1 2 285.307 1.994 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC1(F)F ZINC001218233254 941047055 /nfs/dbraw/zinc/04/70/55/941047055.db2.gz YLPJBZZRSCENJN-VIFPVBQESA-N 1 2 258.224 1.889 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001225682644 941899847 /nfs/dbraw/zinc/89/98/47/941899847.db2.gz LMTXJWUFTXRVDA-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001225682644 941899849 /nfs/dbraw/zinc/89/98/49/941899849.db2.gz LMTXJWUFTXRVDA-LLVKDONJSA-N 1 2 266.297 1.613 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334884 941989707 /nfs/dbraw/zinc/98/97/07/941989707.db2.gz ZVWIMLGTRZDADS-VIFPVBQESA-N 1 2 268.269 1.010 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334884 941989709 /nfs/dbraw/zinc/98/97/09/941989709.db2.gz ZVWIMLGTRZDADS-VIFPVBQESA-N 1 2 268.269 1.010 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001226991571 942110787 /nfs/dbraw/zinc/11/07/87/942110787.db2.gz BNNGSHKKQZAVTM-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001226991571 942110790 /nfs/dbraw/zinc/11/07/90/942110790.db2.gz BNNGSHKKQZAVTM-GFCCVEGCSA-N 1 2 266.297 1.613 20 5 CDBDLO Cc1cc[nH+]c(C)c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001227263814 942161105 /nfs/dbraw/zinc/16/11/05/942161105.db2.gz ISCSMGNTNYKLBI-JTQLQIEISA-N 1 2 290.279 1.643 20 5 CDBDLO Cc1[nH]c(=O)cc(O[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001228687382 942357444 /nfs/dbraw/zinc/35/74/44/942357444.db2.gz WEPRMYIMFXQUGW-SECBINFHSA-N 1 2 297.311 1.103 20 5 CDBDLO COC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001325134325 953740602 /nfs/dbraw/zinc/74/06/02/953740602.db2.gz WLOZSKXXVZHCCT-UHFFFAOYSA-N 1 2 293.323 1.869 20 5 CDBDLO COC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001325134325 953740605 /nfs/dbraw/zinc/74/06/05/953740605.db2.gz WLOZSKXXVZHCCT-UHFFFAOYSA-N 1 2 293.323 1.869 20 5 CDBDLO C[N@H+](CCCF)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001331061317 956794606 /nfs/dbraw/zinc/79/46/06/956794606.db2.gz IDXMYSCTADIYRK-UHFFFAOYSA-N 1 2 283.259 1.752 20 5 CDBDLO C[N@@H+](CCCF)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001331061317 956794614 /nfs/dbraw/zinc/79/46/14/956794614.db2.gz IDXMYSCTADIYRK-UHFFFAOYSA-N 1 2 283.259 1.752 20 5 CDBDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001345653354 964771430 /nfs/dbraw/zinc/77/14/30/964771430.db2.gz QSYAXTAHDNLXBG-UHFFFAOYSA-N 1 2 288.307 1.577 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000600221558 341986388 /nfs/dbraw/zinc/98/63/88/341986388.db2.gz UXKLIIOIJDJMFH-TXEJJXNPSA-N 1 2 298.302 1.872 20 5 CDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590378292 342541011 /nfs/dbraw/zinc/54/10/11/342541011.db2.gz HYZJYGNQKNIKRT-UHFFFAOYSA-N 1 2 278.293 1.578 20 5 CDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590378292 342541012 /nfs/dbraw/zinc/54/10/12/342541012.db2.gz HYZJYGNQKNIKRT-UHFFFAOYSA-N 1 2 278.293 1.578 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(O)CC3)nc2c1 ZINC000083128325 178339772 /nfs/dbraw/zinc/33/97/72/178339772.db2.gz XALDHEFNXLGCQV-UHFFFAOYSA-N 1 2 277.280 1.693 20 5 CDBDLO C[NH2+]CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000234371233 290644258 /nfs/dbraw/zinc/64/42/58/290644258.db2.gz RFBYNADLGXTINW-UHFFFAOYSA-N 1 2 253.258 1.239 20 5 CDBDLO Cc1noc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595430184 343058302 /nfs/dbraw/zinc/05/83/02/343058302.db2.gz LPMXNGMDHOKZIW-NSHDSACASA-N 1 2 295.270 1.854 20 5 CDBDLO Cc1nnc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000595703223 343127171 /nfs/dbraw/zinc/12/71/71/343127171.db2.gz ADLYMRPHQSWCMZ-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO Cc1nnc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000595703223 343127173 /nfs/dbraw/zinc/12/71/73/343127173.db2.gz ADLYMRPHQSWCMZ-UHFFFAOYSA-N 1 2 292.295 1.797 20 5 CDBDLO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091985075 342409345 /nfs/dbraw/zinc/40/93/45/342409345.db2.gz RNTSGYBHUVVSIC-SECBINFHSA-N 1 2 282.296 1.541 20 5 CDBDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091985075 342409346 /nfs/dbraw/zinc/40/93/46/342409346.db2.gz RNTSGYBHUVVSIC-SECBINFHSA-N 1 2 282.296 1.541 20 5 CDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000602126181 344354854 /nfs/dbraw/zinc/35/48/54/344354854.db2.gz NRROYOPCYJGNMA-SSDOTTSWSA-N 1 2 253.258 1.189 20 5 CDBDLO CC(C)c1n[nH]c(C(=O)NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000291227303 344766712 /nfs/dbraw/zinc/76/67/12/344766712.db2.gz NIMDTNMJKCWTKE-UHFFFAOYSA-N 1 2 292.299 1.105 20 5 CDBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000057838224 347101528 /nfs/dbraw/zinc/10/15/28/347101528.db2.gz AQXGKMPYNODISY-NSHDSACASA-N 1 2 279.344 1.038 20 5 CDBDLO CC(C)C[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000046512644 348792730 /nfs/dbraw/zinc/79/27/30/348792730.db2.gz CZTGZUDOCNHCFD-UHFFFAOYSA-N 1 2 265.313 1.538 20 5 CDBDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000046512644 348792733 /nfs/dbraw/zinc/79/27/33/348792733.db2.gz CZTGZUDOCNHCFD-UHFFFAOYSA-N 1 2 265.313 1.538 20 5 CDBDLO C[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104693268 186015954 /nfs/dbraw/zinc/01/59/54/186015954.db2.gz WMLBWKBFPWGAJA-LLVKDONJSA-N 1 2 293.323 1.184 20 5 CDBDLO C[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104693268 186015955 /nfs/dbraw/zinc/01/59/55/186015955.db2.gz WMLBWKBFPWGAJA-LLVKDONJSA-N 1 2 293.323 1.184 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1[nH+]ccn1C ZINC000091556681 180191034 /nfs/dbraw/zinc/19/10/34/180191034.db2.gz RWNNZKUKELLTHC-UHFFFAOYSA-N 1 2 264.289 1.465 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311635350 350701356 /nfs/dbraw/zinc/70/13/56/350701356.db2.gz WJTYKTQBOWAVGK-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311635350 350701358 /nfs/dbraw/zinc/70/13/58/350701358.db2.gz WJTYKTQBOWAVGK-MRVPVSSYSA-N 1 2 286.719 1.386 20 5 CDBDLO Cc1c([C@H](C)[NH2+]Cc2nncn2C)cccc1[N+](=O)[O-] ZINC000152318687 188009244 /nfs/dbraw/zinc/00/92/44/188009244.db2.gz AUNDFINDHRMVCD-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO Cc1ccnc(NCC[N@@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000172278391 188792014 /nfs/dbraw/zinc/79/20/14/188792014.db2.gz VQJYHLCSVPXKMK-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO Cc1ccnc(NCC[N@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000172278391 188792015 /nfs/dbraw/zinc/79/20/15/188792015.db2.gz VQJYHLCSVPXKMK-UHFFFAOYSA-N 1 2 294.355 1.821 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286260052 356238711 /nfs/dbraw/zinc/23/87/11/356238711.db2.gz PSYZSGIRARKJSJ-UHFFFAOYSA-N 1 2 275.312 1.900 20 5 CDBDLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000070979077 357178512 /nfs/dbraw/zinc/17/85/12/357178512.db2.gz IQSKWSAUWOYSIS-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000184234240 357480572 /nfs/dbraw/zinc/48/05/72/357480572.db2.gz GTONGLPKKLQULQ-SNVBAGLBSA-N 1 2 284.287 1.699 20 5 CDBDLO COc1cc(C[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000184234240 357480574 /nfs/dbraw/zinc/48/05/74/357480574.db2.gz GTONGLPKKLQULQ-SNVBAGLBSA-N 1 2 284.287 1.699 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533999 357524589 /nfs/dbraw/zinc/52/45/89/357524589.db2.gz YPNFPFWVHIVBQC-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533999 357524593 /nfs/dbraw/zinc/52/45/93/357524593.db2.gz YPNFPFWVHIVBQC-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330537256 283264835 /nfs/dbraw/zinc/26/48/35/283264835.db2.gz XITNWEVCBUPQRZ-JTQLQIEISA-N 1 2 298.730 1.905 20 5 CDBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330537256 283264838 /nfs/dbraw/zinc/26/48/38/283264838.db2.gz XITNWEVCBUPQRZ-JTQLQIEISA-N 1 2 298.730 1.905 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[N@@H+]1C ZINC000408068164 357803230 /nfs/dbraw/zinc/80/32/30/357803230.db2.gz HGMVUGFNIOOCPC-BDAKNGLRSA-N 1 2 283.353 1.821 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[N@H+]1C ZINC000408068164 357803234 /nfs/dbraw/zinc/80/32/34/357803234.db2.gz HGMVUGFNIOOCPC-BDAKNGLRSA-N 1 2 283.353 1.821 20 5 CDBDLO CC(C)(CCC(=O)NCc1cn2ccccc2[nH+]1)[N+](=O)[O-] ZINC000294392890 199023509 /nfs/dbraw/zinc/02/35/09/199023509.db2.gz OSMZVHYHQPZPBI-UHFFFAOYSA-N 1 2 290.323 1.786 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190832831 535424909 /nfs/dbraw/zinc/42/49/09/535424909.db2.gz SWVHXOUGABQBSU-SNVBAGLBSA-N 1 2 296.327 1.207 20 5 CDBDLO CCOC(=O)[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190832831 535424911 /nfs/dbraw/zinc/42/49/11/535424911.db2.gz SWVHXOUGABQBSU-SNVBAGLBSA-N 1 2 296.327 1.207 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290911239 358770615 /nfs/dbraw/zinc/77/06/15/358770615.db2.gz IXCCUJJVKDMHKO-UHFFFAOYSA-N 1 2 286.291 1.756 20 5 CDBDLO Cc1[nH]ncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365985958 358754218 /nfs/dbraw/zinc/75/42/18/358754218.db2.gz DVXPJGNNQPASJT-UHFFFAOYSA-N 1 2 290.327 1.660 20 5 CDBDLO COc1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000051589265 358904473 /nfs/dbraw/zinc/90/44/73/358904473.db2.gz TUZPBYSTFUKFHV-UHFFFAOYSA-N 1 2 293.323 1.314 20 5 CDBDLO COc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000051589265 358904474 /nfs/dbraw/zinc/90/44/74/358904474.db2.gz TUZPBYSTFUKFHV-UHFFFAOYSA-N 1 2 293.323 1.314 20 5 CDBDLO CC(C)[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339081078 359285585 /nfs/dbraw/zinc/28/55/85/359285585.db2.gz IDXBYRRGYLOVCG-NSHDSACASA-N 1 2 254.286 1.407 20 5 CDBDLO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339081577 359286014 /nfs/dbraw/zinc/28/60/14/359286014.db2.gz MYKJTAZTBFGHIP-LBPRGKRZSA-N 1 2 268.313 1.797 20 5 CDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000339129782 359296574 /nfs/dbraw/zinc/29/65/74/359296574.db2.gz VRNGETHYPNEXLX-KOLCDFICSA-N 1 2 266.297 1.361 20 5 CDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000339129782 359296576 /nfs/dbraw/zinc/29/65/76/359296576.db2.gz VRNGETHYPNEXLX-KOLCDFICSA-N 1 2 266.297 1.361 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000338997739 359268651 /nfs/dbraw/zinc/26/86/51/359268651.db2.gz ABVASGHYOWJZLP-ZDUSSCGKSA-N 1 2 296.323 1.274 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000338997739 359268654 /nfs/dbraw/zinc/26/86/54/359268654.db2.gz ABVASGHYOWJZLP-ZDUSSCGKSA-N 1 2 296.323 1.274 20 5 CDBDLO COC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000112551918 359329914 /nfs/dbraw/zinc/32/99/14/359329914.db2.gz OATZERVNFGMVOW-CYBMUJFWSA-N 1 2 294.307 1.611 20 5 CDBDLO COC(=O)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000112551918 359329920 /nfs/dbraw/zinc/32/99/20/359329920.db2.gz OATZERVNFGMVOW-CYBMUJFWSA-N 1 2 294.307 1.611 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCNC1=O ZINC000340226168 359614867 /nfs/dbraw/zinc/61/48/67/359614867.db2.gz PNKRPTSOVKXUOY-SKDRFNHKSA-N 1 2 263.297 1.476 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCNC1=O ZINC000340226168 359614869 /nfs/dbraw/zinc/61/48/69/359614869.db2.gz PNKRPTSOVKXUOY-SKDRFNHKSA-N 1 2 263.297 1.476 20 5 CDBDLO Cn1c(CCn2cc([N+](=O)[O-])cn2)[nH+]c2ccccc21 ZINC000348130175 359844462 /nfs/dbraw/zinc/84/44/62/359844462.db2.gz JHKZUOMDNXJQBB-UHFFFAOYSA-N 1 2 271.280 1.921 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267639637 361242916 /nfs/dbraw/zinc/24/29/16/361242916.db2.gz INUNSUOFQVUDCB-MNOVXSKESA-N 1 2 290.323 1.365 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267639637 361242923 /nfs/dbraw/zinc/24/29/23/361242923.db2.gz INUNSUOFQVUDCB-MNOVXSKESA-N 1 2 290.323 1.365 20 5 CDBDLO CC(=O)N1CC[NH+](CCNc2sccc2[N+](=O)[O-])CC1 ZINC000301937738 201268938 /nfs/dbraw/zinc/26/89/38/201268938.db2.gz RKOBVDRTIJPWFS-UHFFFAOYSA-N 1 2 298.368 1.232 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)c1 ZINC000270986711 366951812 /nfs/dbraw/zinc/95/18/12/366951812.db2.gz WIDGCXCJHHZDJX-UHFFFAOYSA-N 1 2 276.296 1.973 20 5 CDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348309811 367102639 /nfs/dbraw/zinc/10/26/39/367102639.db2.gz BKKIVLYXZGLQMW-UHFFFAOYSA-N 1 2 287.275 1.928 20 5 CDBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1CCCn1cc[nH+]c1 ZINC000272430836 367733183 /nfs/dbraw/zinc/73/31/83/367733183.db2.gz QMSFZEUUKARTHK-UHFFFAOYSA-N 1 2 282.687 1.697 20 5 CDBDLO CC(C)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272596420 367780986 /nfs/dbraw/zinc/78/09/86/367780986.db2.gz QEZSYESHGXZKSP-UHFFFAOYSA-N 1 2 293.323 1.467 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCC1 ZINC000007786240 369342674 /nfs/dbraw/zinc/34/26/74/369342674.db2.gz IMXFWCHUCHKITB-UHFFFAOYSA-N 1 2 263.297 1.938 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000356753269 373046848 /nfs/dbraw/zinc/04/68/48/373046848.db2.gz FXHRIUFRNGHMDR-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000531949683 374519595 /nfs/dbraw/zinc/51/95/95/374519595.db2.gz WHYCYURVRQTTFN-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000531949683 374519598 /nfs/dbraw/zinc/51/95/98/374519598.db2.gz WHYCYURVRQTTFN-NSHDSACASA-N 1 2 280.328 1.431 20 5 CDBDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000376533756 374561971 /nfs/dbraw/zinc/56/19/71/374561971.db2.gz SLBRYXSEZPOWPQ-CYBMUJFWSA-N 1 2 294.307 1.359 20 5 CDBDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000376533756 374561980 /nfs/dbraw/zinc/56/19/80/374561980.db2.gz SLBRYXSEZPOWPQ-CYBMUJFWSA-N 1 2 294.307 1.359 20 5 CDBDLO COC(=O)c1ccc(OCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123834556 374701287 /nfs/dbraw/zinc/70/12/87/374701287.db2.gz VAALZADDXLGSGF-UHFFFAOYSA-N 1 2 291.263 1.657 20 5 CDBDLO Cc1cn(Cc2[nH+]ccn2C(F)F)nc1[N+](=O)[O-] ZINC000282385718 375083281 /nfs/dbraw/zinc/08/32/81/375083281.db2.gz ZJXXLTOAERDYNQ-UHFFFAOYSA-N 1 2 257.200 1.740 20 5 CDBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000163760203 375778969 /nfs/dbraw/zinc/77/89/69/375778969.db2.gz HMTULUDSDQOBJE-ZDUSSCGKSA-N 1 2 280.324 1.567 20 5 CDBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000163760203 375778975 /nfs/dbraw/zinc/77/89/75/375778975.db2.gz HMTULUDSDQOBJE-ZDUSSCGKSA-N 1 2 280.324 1.567 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000355282337 375787869 /nfs/dbraw/zinc/78/78/69/375787869.db2.gz DABFOPKHTOHGDE-UHFFFAOYSA-N 1 2 266.282 1.320 20 5 CDBDLO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@@H+]1C ZINC000345325920 377935348 /nfs/dbraw/zinc/93/53/48/377935348.db2.gz SCAOVWJEZIKNHP-MWLCHTKSSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@H+]1C ZINC000345325920 377935353 /nfs/dbraw/zinc/93/53/53/377935353.db2.gz SCAOVWJEZIKNHP-MWLCHTKSSA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000278966439 194232866 /nfs/dbraw/zinc/23/28/66/194232866.db2.gz YUCVRQFVBIHUHC-LBPRGKRZSA-N 1 2 279.340 1.752 20 5 CDBDLO Cn1nccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507154737 254098053 /nfs/dbraw/zinc/09/80/53/254098053.db2.gz LAMOTQOAAGEDSN-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cn1nccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507154737 254098055 /nfs/dbraw/zinc/09/80/55/254098055.db2.gz LAMOTQOAAGEDSN-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cn1cc[nH+]c1 ZINC000531085996 390514898 /nfs/dbraw/zinc/51/48/98/390514898.db2.gz GVZOULJFXZBFQG-JTQLQIEISA-N 1 2 291.311 1.196 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865094 390460570 /nfs/dbraw/zinc/46/05/70/390460570.db2.gz DUGQUOMKUWHFFQ-UHFFFAOYSA-N 1 2 290.279 1.862 20 5 CDBDLO CCOCC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287862160 390662067 /nfs/dbraw/zinc/66/20/67/390662067.db2.gz MDKMAQVDVHCUSS-UHFFFAOYSA-N 1 2 297.330 1.892 20 5 CDBDLO CO[C@H](C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339197712 390687085 /nfs/dbraw/zinc/68/70/85/390687085.db2.gz QJYFJZWHDYYGNT-SECBINFHSA-N 1 2 254.286 1.767 20 5 CDBDLO CO[C@H](C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339197712 390687087 /nfs/dbraw/zinc/68/70/87/390687087.db2.gz QJYFJZWHDYYGNT-SECBINFHSA-N 1 2 254.286 1.767 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000317743909 390812671 /nfs/dbraw/zinc/81/26/71/390812671.db2.gz XOVOYHIYSASAIM-UFBFGSQYSA-N 1 2 286.715 1.033 20 5 CDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000317743909 390812674 /nfs/dbraw/zinc/81/26/74/390812674.db2.gz XOVOYHIYSASAIM-UFBFGSQYSA-N 1 2 286.715 1.033 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1ncccc1[N+](=O)[O-] ZINC000268952642 391474229 /nfs/dbraw/zinc/47/42/29/391474229.db2.gz IUNBPXQQEQXKFS-UHFFFAOYSA-N 1 2 261.285 1.713 20 5 CDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000439472831 391644164 /nfs/dbraw/zinc/64/41/64/391644164.db2.gz UUGAWJRBFZEZDQ-SNVBAGLBSA-N 1 2 268.317 1.329 20 5 CDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000439472831 391644168 /nfs/dbraw/zinc/64/41/68/391644168.db2.gz UUGAWJRBFZEZDQ-SNVBAGLBSA-N 1 2 268.317 1.329 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263951902 131367306 /nfs/dbraw/zinc/36/73/06/131367306.db2.gz PPOUOBIOBCCOOG-SECBINFHSA-N 1 2 289.295 1.666 20 5 CDBDLO CC[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000442803584 392496691 /nfs/dbraw/zinc/49/66/91/392496691.db2.gz USTSDWGMOCHPDU-MRVPVSSYSA-N 1 2 291.267 1.300 20 5 CDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000421414113 392935183 /nfs/dbraw/zinc/93/51/83/392935183.db2.gz ABGQGDURRVNSDK-UHFFFAOYSA-N 1 2 288.307 1.838 20 5 CDBDLO C[S@](=O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149566 397611147 /nfs/dbraw/zinc/61/11/47/397611147.db2.gz UWWONKCVCQJSES-FQEVSTJZSA-N 1 2 293.348 1.745 20 5 CDBDLO CCOC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704426 155379641 /nfs/dbraw/zinc/37/96/41/155379641.db2.gz FLYMGRFEEHFBBV-CYBMUJFWSA-N 1 2 296.323 1.187 20 5 CDBDLO CCOC[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704426 155379643 /nfs/dbraw/zinc/37/96/43/155379643.db2.gz FLYMGRFEEHFBBV-CYBMUJFWSA-N 1 2 296.323 1.187 20 5 CDBDLO O=[N+]([O-])c1ccc(CN2CCn3c[nH+]cc3C2)c(F)c1 ZINC000356270651 157422180 /nfs/dbraw/zinc/42/21/80/157422180.db2.gz AREOUYVXFZEZIB-UHFFFAOYSA-N 1 2 276.271 1.946 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362343866 159125235 /nfs/dbraw/zinc/12/52/35/159125235.db2.gz WPTLSLIZUXSXAZ-UHFFFAOYSA-N 1 2 294.698 1.912 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2nc(C)ccc2[N+](=O)[O-])CCO1 ZINC000362661637 159206168 /nfs/dbraw/zinc/20/61/68/159206168.db2.gz FQXCXPURAKAWPP-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2nc(C)ccc2[N+](=O)[O-])CCO1 ZINC000362661637 159206169 /nfs/dbraw/zinc/20/61/69/159206169.db2.gz FQXCXPURAKAWPP-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000070991315 176019653 /nfs/dbraw/zinc/01/96/53/176019653.db2.gz BUKMFMLPUKQVCO-UHFFFAOYSA-N 1 2 252.255 1.309 20 5 CDBDLO CC[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339192027 279363799 /nfs/dbraw/zinc/36/37/99/279363799.db2.gz IELNBZBPNVETEA-NSHDSACASA-N 1 2 279.340 1.826 20 5 CDBDLO CC[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339192027 279363800 /nfs/dbraw/zinc/36/38/00/279363800.db2.gz IELNBZBPNVETEA-NSHDSACASA-N 1 2 279.340 1.826 20 5 CDBDLO Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000134494335 279780158 /nfs/dbraw/zinc/78/01/58/279780158.db2.gz FEHARHYVUOVKPT-UHFFFAOYSA-N 1 2 274.280 1.599 20 5 CDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2[nH+]ccn21 ZINC000456361405 280006935 /nfs/dbraw/zinc/00/69/35/280006935.db2.gz DLPIMYDLGGUJOD-IUCAKERBSA-N 1 2 289.295 1.566 20 5 CDBDLO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000182924981 289213928 /nfs/dbraw/zinc/21/39/28/289213928.db2.gz PPGFYKXICIXIAQ-SNVBAGLBSA-N 1 2 293.323 1.324 20 5 CDBDLO Cc1[nH]c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2[nH+]1 ZINC000554834608 290193900 /nfs/dbraw/zinc/19/39/00/290193900.db2.gz KIAIVBGZQRLZEE-UHFFFAOYSA-N 1 2 286.251 1.755 20 5 CDBDLO Cc1[nH]c2cc(NC(=O)c3c[nH]nc3[N+](=O)[O-])ccc2[nH+]1 ZINC000554834608 290193902 /nfs/dbraw/zinc/19/39/02/290193902.db2.gz KIAIVBGZQRLZEE-UHFFFAOYSA-N 1 2 286.251 1.755 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000575071387 316953860 /nfs/dbraw/zinc/95/38/60/316953860.db2.gz WXWOMUJWFWMCDX-SNVBAGLBSA-N 1 2 292.339 1.915 20 5 CDBDLO CCC[N@@H+](CC(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681345 482456505 /nfs/dbraw/zinc/45/65/05/482456505.db2.gz LHXLLMXUWTZHRQ-JTQLQIEISA-N 1 2 292.286 1.129 20 5 CDBDLO CCC[N@H+](CC(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681345 482456506 /nfs/dbraw/zinc/45/65/06/482456506.db2.gz LHXLLMXUWTZHRQ-JTQLQIEISA-N 1 2 292.286 1.129 20 5 CDBDLO COC(=O)[C@H]1CC12CC[NH+](Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000733790828 575138296 /nfs/dbraw/zinc/13/82/96/575138296.db2.gz FFPJUDUKZCMPRB-LLVKDONJSA-N 1 2 294.311 1.024 20 5 CDBDLO Cc1ccnc(-n2c[nH+]c(CCCO)c2)c1[N+](=O)[O-] ZINC000734479309 575347961 /nfs/dbraw/zinc/34/79/61/575347961.db2.gz OIVCLHVHADZRGY-UHFFFAOYSA-N 1 2 262.269 1.409 20 5 CDBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1=O ZINC000895804678 619853245 /nfs/dbraw/zinc/85/32/45/619853245.db2.gz UTRNEWJJPZJLQX-PWSUYJOCSA-N 1 2 278.308 1.821 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@H]2CO)c2ccc([N+](=O)[O-])cc12 ZINC000902632519 625064739 /nfs/dbraw/zinc/06/47/39/625064739.db2.gz NYDGWXNUSLVHRF-NSHDSACASA-N 1 2 276.296 1.277 20 5 CDBDLO Cc1nn(C[N@H+]2CC[C@H]2CO)c2ccc([N+](=O)[O-])cc12 ZINC000902632519 625064742 /nfs/dbraw/zinc/06/47/42/625064742.db2.gz NYDGWXNUSLVHRF-NSHDSACASA-N 1 2 276.296 1.277 20 5 CDBDLO O=C(Cc1[nH]cc[nH+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000816823442 1164169682 /nfs/dbraw/zinc/16/96/82/1164169682.db2.gz VKQTUZXXDKOBQN-UHFFFAOYSA-N 1 2 289.295 1.089 20 5 CDBDLO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000781949341 812879425 /nfs/dbraw/zinc/87/94/25/812879425.db2.gz PLIDIUGFUZQTEE-JOYOIKCWSA-N 1 2 291.311 1.108 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801913968 813548937 /nfs/dbraw/zinc/54/89/37/813548937.db2.gz PXYSDVIAOZJKAG-UHFFFAOYSA-N 1 2 293.258 1.278 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000794972702 814016505 /nfs/dbraw/zinc/01/65/05/814016505.db2.gz SVIQOBYYOSJSCL-WOFXILAISA-N 1 2 294.282 1.585 20 5 CDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000794972702 814016508 /nfs/dbraw/zinc/01/65/08/814016508.db2.gz SVIQOBYYOSJSCL-WOFXILAISA-N 1 2 294.282 1.585 20 5 CDBDLO O=C(CC[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000192709112 814201391 /nfs/dbraw/zinc/20/13/91/814201391.db2.gz HLJZUGDILPJWND-UHFFFAOYSA-N 1 2 297.286 1.395 20 5 CDBDLO CO[C@]1(C)C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545976 814642349 /nfs/dbraw/zinc/64/23/49/814642349.db2.gz NQGVRXXMPXDDQG-GXFFZTMASA-N 1 2 282.344 1.884 20 5 CDBDLO CO[C@]1(C)C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545976 814642353 /nfs/dbraw/zinc/64/23/53/814642353.db2.gz NQGVRXXMPXDDQG-GXFFZTMASA-N 1 2 282.344 1.884 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000886228548 817365783 /nfs/dbraw/zinc/36/57/83/817365783.db2.gz AWUQRMBDXRCLFX-LLVKDONJSA-N 1 2 273.239 1.192 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000886228548 817365792 /nfs/dbraw/zinc/36/57/92/817365792.db2.gz AWUQRMBDXRCLFX-LLVKDONJSA-N 1 2 273.239 1.192 20 5 CDBDLO O=[N+]([O-])c1ccc2cnn(CN3CCn4c[nH+]cc4C3)c2c1 ZINC000811788040 817807714 /nfs/dbraw/zinc/80/77/14/817807714.db2.gz WQPSFIHMPCGPFL-UHFFFAOYSA-N 1 2 298.306 1.614 20 5 CDBDLO Nc1cc(CNc2cc([N+](=O)[O-])c3nncn3c2)cc[nH+]1 ZINC001167616641 897048534 /nfs/dbraw/zinc/04/85/34/897048534.db2.gz LIMXBKHPXCYQKD-UHFFFAOYSA-N 1 2 285.267 1.227 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840185860 936942257 /nfs/dbraw/zinc/94/22/57/936942257.db2.gz TXLUMJOTUVUYCQ-GFCCVEGCSA-N 1 2 282.300 1.024 20 5 CDBDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840185860 936942260 /nfs/dbraw/zinc/94/22/60/936942260.db2.gz TXLUMJOTUVUYCQ-GFCCVEGCSA-N 1 2 282.300 1.024 20 5 CDBDLO COC(=O)C1(C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818174791 930681761 /nfs/dbraw/zinc/68/17/61/930681761.db2.gz OCAXMOODCTWRKR-LBPRGKRZSA-N 1 2 294.307 1.123 20 5 CDBDLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001154301265 937527283 /nfs/dbraw/zinc/52/72/83/937527283.db2.gz KKCCQBZGFDFARA-UHFFFAOYSA-N 1 2 288.307 1.794 20 5 CDBDLO CC[N@H+](C[C@H]1CCCO1)Cn1nccc1[N+](=O)[O-] ZINC000194010027 934723487 /nfs/dbraw/zinc/72/34/87/934723487.db2.gz TZQFVTOSZVKYPR-SNVBAGLBSA-N 1 2 254.290 1.250 20 5 CDBDLO CC[N@@H+](C[C@H]1CCCO1)Cn1nccc1[N+](=O)[O-] ZINC000194010027 934723491 /nfs/dbraw/zinc/72/34/91/934723491.db2.gz TZQFVTOSZVKYPR-SNVBAGLBSA-N 1 2 254.290 1.250 20 5 CDBDLO Cc1noc([C@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195116335 934739660 /nfs/dbraw/zinc/73/96/60/934739660.db2.gz HDXCSQVURZKMQQ-JTQLQIEISA-N 1 2 292.299 1.320 20 5 CDBDLO Cc1noc([C@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195116335 934739664 /nfs/dbraw/zinc/73/96/64/934739664.db2.gz HDXCSQVURZKMQQ-JTQLQIEISA-N 1 2 292.299 1.320 20 5 CDBDLO O=[N+]([O-])c1cc(Cl)nc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164488993 939478553 /nfs/dbraw/zinc/47/85/53/939478553.db2.gz VCMZAMCNAVPPBX-UHFFFAOYSA-N 1 2 292.673 1.688 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc[nH+]cc1 ZINC001225290871 941839491 /nfs/dbraw/zinc/83/94/91/941839491.db2.gz KWWQQAGVXMSZNO-VIFPVBQESA-N 1 2 262.269 1.962 20 5 CDBDLO C[N@@H+]1CCO[C@@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001323899909 961036797 /nfs/dbraw/zinc/03/67/97/961036797.db2.gz IGTYSKOWQSESPX-LLVKDONJSA-N 1 2 290.279 1.648 20 5 CDBDLO C[N@H+]1CCO[C@@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001323899909 961036818 /nfs/dbraw/zinc/03/68/18/961036818.db2.gz IGTYSKOWQSESPX-LLVKDONJSA-N 1 2 290.279 1.648 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609150154 342092468 /nfs/dbraw/zinc/09/24/68/342092468.db2.gz RMORQAYVQSFUHI-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609150154 342092469 /nfs/dbraw/zinc/09/24/69/342092469.db2.gz RMORQAYVQSFUHI-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595287463 343024031 /nfs/dbraw/zinc/02/40/31/343024031.db2.gz DBQRKIMNYWARAO-JTQLQIEISA-N 1 2 297.311 1.666 20 5 CDBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595287463 343024033 /nfs/dbraw/zinc/02/40/33/343024033.db2.gz DBQRKIMNYWARAO-JTQLQIEISA-N 1 2 297.311 1.666 20 5 CDBDLO Cc1noc(C[NH2+]C(C)(C)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000595439333 343061338 /nfs/dbraw/zinc/06/13/38/343061338.db2.gz XQZZHXYKNFITKE-UHFFFAOYSA-N 1 2 279.300 1.650 20 5 CDBDLO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCC1 ZINC000595941006 343203743 /nfs/dbraw/zinc/20/37/43/343203743.db2.gz JYDXVWGACARHKW-UHFFFAOYSA-N 1 2 279.296 1.302 20 5 CDBDLO CN(CCCn1cc[nH+]c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294988457 199287036 /nfs/dbraw/zinc/28/70/36/199287036.db2.gz PBJXVUCIKRBOJN-UHFFFAOYSA-N 1 2 282.344 1.567 20 5 CDBDLO Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000596168295 343257922 /nfs/dbraw/zinc/25/79/22/343257922.db2.gz UDNNEGKLSUULCV-NSHDSACASA-N 1 2 297.380 1.876 20 5 CDBDLO CCc1nn(C)c(N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091744202 342407117 /nfs/dbraw/zinc/40/71/17/342407117.db2.gz FVPDTDZEHCYZPV-UHFFFAOYSA-N 1 2 292.343 1.614 20 5 CDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597864568 343662002 /nfs/dbraw/zinc/66/20/02/343662002.db2.gz QHAVVQGENILGIE-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597864568 343662005 /nfs/dbraw/zinc/66/20/05/343662005.db2.gz QHAVVQGENILGIE-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265976858 362633349 /nfs/dbraw/zinc/63/33/49/362633349.db2.gz 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/nfs/dbraw/zinc/32/57/70/347325770.db2.gz DEBUFVLVNWDFAI-UHFFFAOYSA-N 1 2 254.286 1.769 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(F)c1 ZINC000614420476 348106761 /nfs/dbraw/zinc/10/67/61/348106761.db2.gz VVDRTIZPJPDDCJ-LBPRGKRZSA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)c(F)c1 ZINC000614420476 348106763 /nfs/dbraw/zinc/10/67/63/348106763.db2.gz VVDRTIZPJPDDCJ-LBPRGKRZSA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000020668893 348533310 /nfs/dbraw/zinc/53/33/10/348533310.db2.gz SKLYYQSICQTSHB-UHFFFAOYSA-N 1 2 299.334 1.707 20 5 CDBDLO C[NH+](C)C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271285731 191050772 /nfs/dbraw/zinc/05/07/72/191050772.db2.gz AXAJQGQJOXAETD-ONEGZZNKSA-N 1 2 265.269 1.357 20 5 CDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCO1 ZINC000619696744 350836135 /nfs/dbraw/zinc/83/61/35/350836135.db2.gz KXNUHQOMAGTXKK-SFYZADRCSA-N 1 2 272.330 1.182 20 5 CDBDLO 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617481355 /nfs/dbraw/zinc/48/13/55/617481355.db2.gz AUBOACRYLJPGKA-UHFFFAOYSA-N 1 2 284.337 1.858 20 5 CDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC=C(C)C)C1 ZINC000950056237 614651197 /nfs/dbraw/zinc/65/11/97/614651197.db2.gz YJRGKNQPDYTODN-CHWSQXEVSA-N 1 2 281.356 1.151 20 5 CDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCOC1=O ZINC000902268993 624628172 /nfs/dbraw/zinc/62/81/72/624628172.db2.gz JPZOETWYZMNYCC-UHFFFAOYSA-N 1 2 279.296 1.479 20 5 CDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCOC1=O ZINC000902268993 624628181 /nfs/dbraw/zinc/62/81/81/624628181.db2.gz JPZOETWYZMNYCC-UHFFFAOYSA-N 1 2 279.296 1.479 20 5 CDBDLO CSCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000902392509 624755220 /nfs/dbraw/zinc/75/52/20/624755220.db2.gz IPSHFIZKQRQFNJ-UHFFFAOYSA-N 1 2 270.358 1.824 20 5 CDBDLO COC(=O)c1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929873904 631689137 /nfs/dbraw/zinc/68/91/37/631689137.db2.gz DKPVXIORKVJMMB-UHFFFAOYSA-N 1 2 252.270 1.182 20 5 CDBDLO COC(=O)c1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929873904 631689139 /nfs/dbraw/zinc/68/91/39/631689139.db2.gz DKPVXIORKVJMMB-UHFFFAOYSA-N 1 2 252.270 1.182 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000050682933 1166672930 /nfs/dbraw/zinc/67/29/30/1166672930.db2.gz WTNZSQHXMMTMSP-UHFFFAOYSA-N 1 2 278.312 1.024 20 5 CDBDLO Cc1c(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001610415737 1165312837 /nfs/dbraw/zinc/31/28/37/1165312837.db2.gz UIEKXQCDEKDPJJ-CYBMUJFWSA-N 1 2 293.323 1.152 20 5 CDBDLO Cc1c(C[N@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001610415737 1165312839 /nfs/dbraw/zinc/31/28/39/1165312839.db2.gz UIEKXQCDEKDPJJ-CYBMUJFWSA-N 1 2 293.323 1.152 20 5 CDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886277582 818704848 /nfs/dbraw/zinc/70/48/48/818704848.db2.gz VWUJPGISNNOKRF-LLVKDONJSA-N 1 2 292.295 1.016 20 5 CDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886277582 818704852 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LZCALQAVOXCGGS-UHFFFAOYSA-N 1 2 264.241 1.194 20 5 CDBDLO Cc1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc[nH+]1 ZINC000443967341 250068086 /nfs/dbraw/zinc/06/80/86/250068086.db2.gz URGORJCIWHRLPQ-UHFFFAOYSA-N 1 2 284.279 1.604 20 5 CDBDLO O=[N+]([O-])c1ccc2c(c1)CN(CC[NH+]1CCOCC1)CC2 ZINC000332614677 285142150 /nfs/dbraw/zinc/14/21/50/285142150.db2.gz PRZVCUDNZDOVPK-UHFFFAOYSA-N 1 2 291.351 1.285 20 5 CDBDLO COCC[NH+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505865194 254095363 /nfs/dbraw/zinc/09/53/63/254095363.db2.gz XTBWKMKXYOZFQQ-UHFFFAOYSA-N 1 2 284.312 1.395 20 5 CDBDLO CO[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1O ZINC000395302117 390860589 /nfs/dbraw/zinc/86/05/89/390860589.db2.gz VIGFKYHMSQZPFH-VXGBXAGGSA-N 1 2 286.715 1.440 20 5 CDBDLO CO[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1O ZINC000395302117 390860592 /nfs/dbraw/zinc/86/05/92/390860592.db2.gz VIGFKYHMSQZPFH-VXGBXAGGSA-N 1 2 286.715 1.440 20 5 CDBDLO CC(C)[NH+]1CC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000457731457 391574362 /nfs/dbraw/zinc/57/43/62/391574362.db2.gz YBNRXBVDZNPHLY-UHFFFAOYSA-N 1 2 281.287 1.556 20 5 CDBDLO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262236586 131203905 /nfs/dbraw/zinc/20/39/05/131203905.db2.gz RADUPMRGKDEDHY-ZDUSSCGKSA-N 1 2 281.312 1.404 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530474960 393051427 /nfs/dbraw/zinc/05/14/27/393051427.db2.gz FYHKOIISQURQPY-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530474960 393051429 /nfs/dbraw/zinc/05/14/29/393051429.db2.gz FYHKOIISQURQPY-JTQLQIEISA-N 1 2 297.359 1.252 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247026115 140287322 /nfs/dbraw/zinc/28/73/22/140287322.db2.gz HOKCFOOWFCQPIB-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247026115 140287324 /nfs/dbraw/zinc/28/73/24/140287324.db2.gz HOKCFOOWFCQPIB-HUUCEWRRSA-N 1 2 292.335 1.975 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284994998 196174068 /nfs/dbraw/zinc/17/40/68/196174068.db2.gz GOTXEUGOAWQHJF-BDAKNGLRSA-N 1 2 290.327 1.717 20 5 CDBDLO CNc1ccc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000071140286 176038431 /nfs/dbraw/zinc/03/84/31/176038431.db2.gz OVAJCMIXJBATRZ-UHFFFAOYSA-N 1 2 289.295 1.300 20 5 CDBDLO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000423962387 278484938 /nfs/dbraw/zinc/48/49/38/278484938.db2.gz UXOPRVJKGXBISJ-LLVKDONJSA-N 1 2 281.312 1.404 20 5 CDBDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000134491376 279779823 /nfs/dbraw/zinc/77/98/23/279779823.db2.gz VGVXSINJADMJDM-UHFFFAOYSA-N 1 2 274.280 1.599 20 5 CDBDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000147303210 289067797 /nfs/dbraw/zinc/06/77/97/289067797.db2.gz CKBIJJDWKKAWBR-UHFFFAOYSA-N 1 2 274.280 1.530 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000573461438 294824359 /nfs/dbraw/zinc/82/43/59/294824359.db2.gz SHXDTFBCDNTGRL-TZMCWYRMSA-N 1 2 278.308 1.958 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000134166043 1160145751 /nfs/dbraw/zinc/14/57/51/1160145751.db2.gz UERGWWDIIVMWRD-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000134166043 1160145753 /nfs/dbraw/zinc/14/57/53/1160145753.db2.gz UERGWWDIIVMWRD-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000734865269 575391435 /nfs/dbraw/zinc/39/14/35/575391435.db2.gz QBBVJHLOINRBJQ-UHFFFAOYSA-N 1 2 289.295 1.481 20 5 CDBDLO COc1cc(C(=O)OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000771943279 575640733 /nfs/dbraw/zinc/64/07/33/575640733.db2.gz LCYYNQYYLKCARO-UHFFFAOYSA-N 1 2 291.263 1.657 20 5 CDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCNC1=O ZINC000764305390 575898508 /nfs/dbraw/zinc/89/85/08/575898508.db2.gz ZSCIPQHFZFUJPQ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCNC1=O ZINC000764305390 575898511 /nfs/dbraw/zinc/89/85/11/575898511.db2.gz ZSCIPQHFZFUJPQ-LBPRGKRZSA-N 1 2 297.742 1.959 20 5 CDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000769195780 576336911 /nfs/dbraw/zinc/33/69/11/576336911.db2.gz PDZNFYYYAQYGER-CYBMUJFWSA-N 1 2 293.323 1.401 20 5 CDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000769195780 576336912 /nfs/dbraw/zinc/33/69/12/576336912.db2.gz PDZNFYYYAQYGER-CYBMUJFWSA-N 1 2 293.323 1.401 20 5 CDBDLO COc1c(O)ccc(C[N@@H+]2CCCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000892077631 617467579 /nfs/dbraw/zinc/46/75/79/617467579.db2.gz WCTNAVMHBQCLGB-JTQLQIEISA-N 1 2 296.323 1.920 20 5 CDBDLO COc1c(O)ccc(C[N@H+]2CCCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000892077631 617467582 /nfs/dbraw/zinc/46/75/82/617467582.db2.gz WCTNAVMHBQCLGB-JTQLQIEISA-N 1 2 296.323 1.920 20 5 CDBDLO COc1c(O)ccc(C[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000891721302 617555140 /nfs/dbraw/zinc/55/51/40/617555140.db2.gz WITUYRKQWYTWIK-UHFFFAOYSA-N 1 2 282.296 1.531 20 5 CDBDLO COc1c(O)ccc(C[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000891721302 617555143 /nfs/dbraw/zinc/55/51/43/617555143.db2.gz WITUYRKQWYTWIK-UHFFFAOYSA-N 1 2 282.296 1.531 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2CO)c(Cl)c1 ZINC000934018780 617858325 /nfs/dbraw/zinc/85/83/25/617858325.db2.gz YJNVXKQZTYLROG-SNVBAGLBSA-N 1 2 256.689 1.815 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2CO)c(Cl)c1 ZINC000934018780 617858330 /nfs/dbraw/zinc/85/83/30/617858330.db2.gz YJNVXKQZTYLROG-SNVBAGLBSA-N 1 2 256.689 1.815 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncccc1[N+](=O)[O-] ZINC000895805411 619853738 /nfs/dbraw/zinc/85/37/38/619853738.db2.gz SXFJPQZWJPTXNY-LLVKDONJSA-N 1 2 280.328 1.513 20 5 CDBDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905219689 626698294 /nfs/dbraw/zinc/69/82/94/626698294.db2.gz MUEAMQBSWKMEIQ-LLVKDONJSA-N 1 2 286.353 1.024 20 5 CDBDLO CC1(C)COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153770670 633246575 /nfs/dbraw/zinc/24/65/75/633246575.db2.gz ROSGVEOMYFRCMC-ZDUSSCGKSA-N 1 2 280.324 1.739 20 5 CDBDLO CC1(C)COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153770670 633246583 /nfs/dbraw/zinc/24/65/83/633246583.db2.gz ROSGVEOMYFRCMC-ZDUSSCGKSA-N 1 2 280.324 1.739 20 5 CDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000135488232 823891011 /nfs/dbraw/zinc/89/10/11/823891011.db2.gz ZXDZCTUYQRYDDI-UHFFFAOYSA-N 1 2 278.243 1.430 20 5 CDBDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000816890612 828587751 /nfs/dbraw/zinc/58/77/51/828587751.db2.gz QPPUPQWGLASRQG-SECBINFHSA-N 1 2 274.280 1.738 20 5 CDBDLO COC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779864975 824024137 /nfs/dbraw/zinc/02/41/37/824024137.db2.gz IHYIIEYMTFZWHW-SNVBAGLBSA-N 1 2 254.290 1.168 20 5 CDBDLO COC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779864975 824024143 /nfs/dbraw/zinc/02/41/43/824024143.db2.gz IHYIIEYMTFZWHW-SNVBAGLBSA-N 1 2 254.290 1.168 20 5 CDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000034196254 827915811 /nfs/dbraw/zinc/91/58/11/827915811.db2.gz SAXFJACVPLELQP-UHFFFAOYSA-N 1 2 289.295 1.194 20 5 CDBDLO COc1ccccc1C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000791052787 827975822 /nfs/dbraw/zinc/97/58/22/827975822.db2.gz DDGMUUUQNFXEDK-AWEZNQCLSA-N 1 2 294.351 1.953 20 5 CDBDLO COc1ccccc1C[N@@H+](CC[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000791052787 827975842 /nfs/dbraw/zinc/97/58/42/827975842.db2.gz DDGMUUUQNFXEDK-AWEZNQCLSA-N 1 2 294.351 1.953 20 5 CDBDLO Nc1cc(CNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC001167612510 897035053 /nfs/dbraw/zinc/03/50/53/897035053.db2.gz CHQTYRAPHBTIEE-UHFFFAOYSA-N 1 2 295.686 1.471 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3ncsc3C2)C1 ZINC001169042136 927656707 /nfs/dbraw/zinc/65/67/07/927656707.db2.gz DBLAQCPLQYDUKW-BDAKNGLRSA-N 1 2 253.327 1.904 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3ncsc3C2)C1 ZINC001169042136 927656713 /nfs/dbraw/zinc/65/67/13/927656713.db2.gz DBLAQCPLQYDUKW-BDAKNGLRSA-N 1 2 253.327 1.904 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225382812 941851723 /nfs/dbraw/zinc/85/17/23/941851723.db2.gz SEWOAWQJKVHKHM-JTQLQIEISA-N 1 2 284.287 1.833 20 5 CDBDLO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254601126 947550788 /nfs/dbraw/zinc/55/07/88/947550788.db2.gz ZSYUBZUZHMIMLD-YGRLFVJLSA-N 1 2 274.320 1.973 20 5 CDBDLO C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254601126 947550794 /nfs/dbraw/zinc/55/07/94/947550794.db2.gz ZSYUBZUZHMIMLD-YGRLFVJLSA-N 1 2 274.320 1.973 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC001258015492 948686959 /nfs/dbraw/zinc/68/69/59/948686959.db2.gz GQAZCRQLTBBEQY-UHFFFAOYSA-N 1 2 273.296 1.639 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327618437 954963920 /nfs/dbraw/zinc/96/39/20/954963920.db2.gz AKZYZZWFMKLHTK-LBPRGKRZSA-N 1 2 292.339 1.209 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327618436 954964059 /nfs/dbraw/zinc/96/40/59/954964059.db2.gz AKZYZZWFMKLHTK-GFCCVEGCSA-N 1 2 292.339 1.209 20 5 CDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](CF)C1 ZINC001331035435 956780124 /nfs/dbraw/zinc/78/01/24/956780124.db2.gz DOYVEUPKUGSUGT-VIFPVBQESA-N 1 2 295.270 1.752 20 5 CDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](CF)C1 ZINC001331035435 956780130 /nfs/dbraw/zinc/78/01/30/956780130.db2.gz DOYVEUPKUGSUGT-VIFPVBQESA-N 1 2 295.270 1.752 20 5 CDBDLO C[NH2+]CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC001578701865 1171983579 /nfs/dbraw/zinc/98/35/79/1171983579.db2.gz PKJQTTPPEWHUQS-UHFFFAOYSA-N 1 2 281.312 1.370 20 5 CDBDLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000590378150 342540932 /nfs/dbraw/zinc/54/09/32/342540932.db2.gz GHAPLCHAIZFTOD-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000590378150 342540933 /nfs/dbraw/zinc/54/09/33/342540933.db2.gz GHAPLCHAIZFTOD-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO C[C@@H](NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600707982 342243305 /nfs/dbraw/zinc/24/33/05/342243305.db2.gz CERFVIVJSCTBHU-PWSUYJOCSA-N 1 2 265.313 1.234 20 5 CDBDLO COCC[N@H+](C)Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594641036 342939584 /nfs/dbraw/zinc/93/95/84/342939584.db2.gz TUZTYIGMLQVXSP-UHFFFAOYSA-N 1 2 291.311 1.254 20 5 CDBDLO COCC[N@@H+](C)Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594641036 342939586 /nfs/dbraw/zinc/93/95/86/342939586.db2.gz TUZTYIGMLQVXSP-UHFFFAOYSA-N 1 2 291.311 1.254 20 5 CDBDLO Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000080600629 342357367 /nfs/dbraw/zinc/35/73/67/342357367.db2.gz XRVLBUSFQVGQLM-GFCCVEGCSA-N 1 2 293.371 1.346 20 5 CDBDLO Cc1ccc[nH+]c1CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596255593 343275861 /nfs/dbraw/zinc/27/58/61/343275861.db2.gz UFPALDARGVHFOO-UHFFFAOYSA-N 1 2 287.323 1.742 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000619569725 349806597 /nfs/dbraw/zinc/80/65/97/349806597.db2.gz DBDCHZUKRHBSJC-UHFFFAOYSA-N 1 2 298.280 1.127 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCOCC3)CC2)s1 ZINC000599106091 343955211 /nfs/dbraw/zinc/95/52/11/343955211.db2.gz RPCQBVXSVOATSH-UHFFFAOYSA-N 1 2 298.368 1.352 20 5 CDBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2[nH+]ccn21 ZINC000515424140 362311366 /nfs/dbraw/zinc/31/13/66/362311366.db2.gz ZBBGOOZXOSFDPH-WPRPVWTQSA-N 1 2 289.295 1.566 20 5 CDBDLO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000314453814 344912253 /nfs/dbraw/zinc/91/22/53/344912253.db2.gz DVOPCCQIDLRDIY-KOLCDFICSA-N 1 2 293.323 1.465 20 5 CDBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051792331 346346842 /nfs/dbraw/zinc/34/68/42/346346842.db2.gz QOXQDCXCABGOCA-UHFFFAOYSA-N 1 2 295.339 1.514 20 5 CDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051792331 346346844 /nfs/dbraw/zinc/34/68/44/346346844.db2.gz QOXQDCXCABGOCA-UHFFFAOYSA-N 1 2 295.339 1.514 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000611177261 346632393 /nfs/dbraw/zinc/63/23/93/346632393.db2.gz BVSIBXHKZGSZFC-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000611177261 346632397 /nfs/dbraw/zinc/63/23/97/346632397.db2.gz BVSIBXHKZGSZFC-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000611259348 346723497 /nfs/dbraw/zinc/72/34/97/346723497.db2.gz HMYOCUTYKSEUIB-UHFFFAOYSA-N 1 2 291.351 1.828 20 5 CDBDLO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293599873 362773767 /nfs/dbraw/zinc/77/37/67/362773767.db2.gz FXGVPGLJRAFXNT-UHFFFAOYSA-N 1 2 281.312 1.548 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454331116 252342695 /nfs/dbraw/zinc/34/26/95/252342695.db2.gz QOSLPVHPOSPRCV-MRVPVSSYSA-N 1 2 277.284 1.630 20 5 CDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286491677 356770165 /nfs/dbraw/zinc/77/01/65/356770165.db2.gz XKMLDNJPWDCZFD-NEPJUHHUSA-N 1 2 292.339 1.289 20 5 CDBDLO Cc1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000070979074 357178338 /nfs/dbraw/zinc/17/83/38/357178338.db2.gz RPFPAIQYCQDQAF-UHFFFAOYSA-N 1 2 274.280 1.899 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000072665113 357386438 /nfs/dbraw/zinc/38/64/38/357386438.db2.gz KAJLBIKKSXWVCR-JTQLQIEISA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000072665113 357386442 /nfs/dbraw/zinc/38/64/42/357386442.db2.gz KAJLBIKKSXWVCR-JTQLQIEISA-N 1 2 288.311 1.399 20 5 CDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3[nH]cc[nH+]3)C2)nc1 ZINC000072665113 357386447 /nfs/dbraw/zinc/38/64/47/357386447.db2.gz KAJLBIKKSXWVCR-JTQLQIEISA-N 1 2 288.311 1.399 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182082917 357405113 /nfs/dbraw/zinc/40/51/13/357405113.db2.gz VOVFUTSIWUKHQZ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182082917 357405116 /nfs/dbraw/zinc/40/51/16/357405116.db2.gz VOVFUTSIWUKHQZ-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000338054874 358668957 /nfs/dbraw/zinc/66/89/57/358668957.db2.gz OTAJYGJOMPUKPX-SNVBAGLBSA-N 1 2 288.311 1.414 20 5 CDBDLO CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1[nH]cc[nH+]1 ZINC000338884859 359191837 /nfs/dbraw/zinc/19/18/37/359191837.db2.gz SMFIUCCDPPWZLO-SNVBAGLBSA-N 1 2 292.299 1.179 20 5 CDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(CO)CC2)c(F)c1 ZINC000313635552 359151014 /nfs/dbraw/zinc/15/10/14/359151014.db2.gz LHRFJSBLHUSUPN-UHFFFAOYSA-N 1 2 284.287 1.053 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753680 366555984 /nfs/dbraw/zinc/55/59/84/366555984.db2.gz NNZAJKAKCWFVMS-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753680 366555987 /nfs/dbraw/zinc/55/59/87/366555987.db2.gz NNZAJKAKCWFVMS-UHFFFAOYSA-N 1 2 260.253 1.556 20 5 CDBDLO CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000347967175 359996147 /nfs/dbraw/zinc/99/61/47/359996147.db2.gz QNUMOKOENVSHRD-SNVBAGLBSA-N 1 2 292.299 1.172 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCCC1 ZINC000548180839 360448733 /nfs/dbraw/zinc/44/87/33/360448733.db2.gz HVSDPLVDIBHSOE-JTQLQIEISA-N 1 2 293.323 1.515 20 5 CDBDLO COC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179393459 189190952 /nfs/dbraw/zinc/19/09/52/189190952.db2.gz SAILOYGNGXOQRB-FNORWQNLSA-N 1 2 264.281 1.713 20 5 CDBDLO COC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179393459 189190953 /nfs/dbraw/zinc/19/09/53/189190953.db2.gz SAILOYGNGXOQRB-FNORWQNLSA-N 1 2 264.281 1.713 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(C)=O ZINC000575399072 364734271 /nfs/dbraw/zinc/73/42/71/364734271.db2.gz MLNQTBWYMMQPRI-UHFFFAOYSA-N 1 2 281.312 1.171 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(C)=O ZINC000575399072 364734278 /nfs/dbraw/zinc/73/42/78/364734278.db2.gz MLNQTBWYMMQPRI-UHFFFAOYSA-N 1 2 281.312 1.171 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C2CCC2)CC1 ZINC000264871332 364915430 /nfs/dbraw/zinc/91/54/30/364915430.db2.gz ANTPBWLWZNRXSO-UHFFFAOYSA-N 1 2 295.364 1.967 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369422549 374352607 /nfs/dbraw/zinc/35/26/07/374352607.db2.gz YCNBOGXBSLFDIA-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369422549 374352618 /nfs/dbraw/zinc/35/26/18/374352618.db2.gz YCNBOGXBSLFDIA-SECBINFHSA-N 1 2 281.287 1.444 20 5 CDBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115575315 374415905 /nfs/dbraw/zinc/41/59/05/374415905.db2.gz NBLDUNAUVQPVEU-LBPRGKRZSA-N 1 2 293.323 1.305 20 5 CDBDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115575315 374415911 /nfs/dbraw/zinc/41/59/11/374415911.db2.gz NBLDUNAUVQPVEU-LBPRGKRZSA-N 1 2 293.323 1.305 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000093054818 374725767 /nfs/dbraw/zinc/72/57/67/374725767.db2.gz HGLPATGZPZLCLE-CQSZACIVSA-N 1 2 291.351 1.860 20 5 CDBDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000093054818 374725772 /nfs/dbraw/zinc/72/57/72/374725772.db2.gz HGLPATGZPZLCLE-CQSZACIVSA-N 1 2 291.351 1.860 20 5 CDBDLO CC[C@H](CO)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449378779 374804089 /nfs/dbraw/zinc/80/40/89/374804089.db2.gz XWJTXZHSSIFISP-SNVBAGLBSA-N 1 2 254.286 1.503 20 5 CDBDLO CC[C@H](CO)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449378779 374804091 /nfs/dbraw/zinc/80/40/91/374804091.db2.gz XWJTXZHSSIFISP-SNVBAGLBSA-N 1 2 254.286 1.503 20 5 CDBDLO Cn1c[nH+]cc1CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000294099116 375672803 /nfs/dbraw/zinc/67/28/03/375672803.db2.gz BUCJHPSESWYASD-UHFFFAOYSA-N 1 2 282.687 1.386 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355089581 375775103 /nfs/dbraw/zinc/77/51/03/375775103.db2.gz QOBQHBDZFOGPNY-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355089581 375775108 /nfs/dbraw/zinc/77/51/08/375775108.db2.gz QOBQHBDZFOGPNY-NSHDSACASA-N 1 2 293.323 1.045 20 5 CDBDLO COc1c(C(=O)NCCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000141129703 377267827 /nfs/dbraw/zinc/26/78/27/377267827.db2.gz XYMPBLXOXSIDDG-UHFFFAOYSA-N 1 2 290.279 1.299 20 5 CDBDLO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000449643599 250947461 /nfs/dbraw/zinc/94/74/61/250947461.db2.gz ILEXJDOOCUOCNY-KOLCDFICSA-N 1 2 293.323 1.548 20 5 CDBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282500662 195627644 /nfs/dbraw/zinc/62/76/44/195627644.db2.gz WQFUZJAOLXMTHG-VIFPVBQESA-N 1 2 269.326 1.367 20 5 CDBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282500662 195627645 /nfs/dbraw/zinc/62/76/45/195627645.db2.gz WQFUZJAOLXMTHG-VIFPVBQESA-N 1 2 269.326 1.367 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C(C)(C)C(N)=O ZINC000451136849 390601265 /nfs/dbraw/zinc/60/12/65/390601265.db2.gz QTJUKMYQJQJLLE-UHFFFAOYSA-N 1 2 281.312 1.299 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000451136849 390601267 /nfs/dbraw/zinc/60/12/67/390601267.db2.gz QTJUKMYQJQJLLE-UHFFFAOYSA-N 1 2 281.312 1.299 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341986076 130208695 /nfs/dbraw/zinc/20/86/95/130208695.db2.gz UDXDPKQTOVVVNF-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341986076 130208697 /nfs/dbraw/zinc/20/86/97/130208697.db2.gz UDXDPKQTOVVVNF-JTQLQIEISA-N 1 2 283.303 1.867 20 5 CDBDLO Cc1noc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595402977 392565233 /nfs/dbraw/zinc/56/52/33/392565233.db2.gz HKALBMNBHCUUMF-JTQLQIEISA-N 1 2 294.311 1.088 20 5 CDBDLO Cc1noc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595402977 392565238 /nfs/dbraw/zinc/56/52/38/392565238.db2.gz HKALBMNBHCUUMF-JTQLQIEISA-N 1 2 294.311 1.088 20 5 CDBDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000268768861 132062868 /nfs/dbraw/zinc/06/28/68/132062868.db2.gz OWUXOJPNOUHPCI-JTQLQIEISA-N 1 2 287.323 1.983 20 5 CDBDLO NC(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000429680231 393085353 /nfs/dbraw/zinc/08/53/53/393085353.db2.gz SOZQBRIZEMMWCS-UHFFFAOYSA-N 1 2 293.323 1.578 20 5 CDBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)CCO1 ZINC000195040534 393046731 /nfs/dbraw/zinc/04/67/31/393046731.db2.gz LJLNDDSNGHBYPE-JTQLQIEISA-N 1 2 280.328 1.389 20 5 CDBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)CCO1 ZINC000195040534 393046736 /nfs/dbraw/zinc/04/67/36/393046736.db2.gz LJLNDDSNGHBYPE-JTQLQIEISA-N 1 2 280.328 1.389 20 5 CDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)[NH2+]1 ZINC000262263555 149042634 /nfs/dbraw/zinc/04/26/34/149042634.db2.gz USIFHRDJLIUOIR-RKDXNWHRSA-N 1 2 279.296 1.123 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343298688 152110248 /nfs/dbraw/zinc/11/02/48/152110248.db2.gz HAUSDHJDUZHRBF-UHFFFAOYSA-N 1 2 294.698 1.912 20 5 CDBDLO C[C@@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349566342 154141982 /nfs/dbraw/zinc/14/19/82/154141982.db2.gz SHOGDSWDABHECD-LLVKDONJSA-N 1 2 295.339 1.220 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCNC1=O ZINC000340226162 287151883 /nfs/dbraw/zinc/15/18/83/287151883.db2.gz PNKRPTSOVKXUOY-CABZTGNLSA-N 1 2 263.297 1.476 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCNC1=O ZINC000340226162 287151888 /nfs/dbraw/zinc/15/18/88/287151888.db2.gz PNKRPTSOVKXUOY-CABZTGNLSA-N 1 2 263.297 1.476 20 5 CDBDLO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ncnn1C ZINC000285239738 196229741 /nfs/dbraw/zinc/22/97/41/196229741.db2.gz PNYLRDJTRWZMQZ-RKDXNWHRSA-N 1 2 290.327 1.717 20 5 CDBDLO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000027214397 260132557 /nfs/dbraw/zinc/13/25/57/260132557.db2.gz RCTRHGPIGJNSCW-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000027214397 260132558 /nfs/dbraw/zinc/13/25/58/260132558.db2.gz RCTRHGPIGJNSCW-UHFFFAOYSA-N 1 2 260.297 1.960 20 5 CDBDLO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000192779167 270299981 /nfs/dbraw/zinc/29/99/81/270299981.db2.gz MTOBXFLUFXENJK-UHFFFAOYSA-N 1 2 261.241 1.133 20 5 CDBDLO C[C@@H]1C[N@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000522275577 281096030 /nfs/dbraw/zinc/09/60/30/281096030.db2.gz PPLFSFDLBGBHAC-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@@H]1C[N@@H+](CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000522275577 281096033 /nfs/dbraw/zinc/09/60/33/281096033.db2.gz PPLFSFDLBGBHAC-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000288116385 281597993 /nfs/dbraw/zinc/59/79/93/281597993.db2.gz LDPJNRGUOPNDRU-VIFPVBQESA-N 1 2 278.316 1.817 20 5 CDBDLO C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC[NH2+]C1 ZINC000235391112 289149680 /nfs/dbraw/zinc/14/96/80/289149680.db2.gz DTEUMTKNPNMNEY-CYBMUJFWSA-N 1 2 279.296 1.629 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000542522517 289547879 /nfs/dbraw/zinc/54/78/79/289547879.db2.gz MSXUMLIZUFRHMH-UHFFFAOYSA-N 1 2 289.295 1.693 20 5 CDBDLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555582634 290227226 /nfs/dbraw/zinc/22/72/26/290227226.db2.gz HRBFUELIVOQAFH-RYUDHWBXSA-N 1 2 266.297 1.549 20 5 CDBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])cn2C)c[nH+]1 ZINC000571258279 294396558 /nfs/dbraw/zinc/39/65/58/294396558.db2.gz MQMQGEGGEPXVMA-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050710099 524958454 /nfs/dbraw/zinc/95/84/54/524958454.db2.gz CZWDJPTUUBSBNM-VIFPVBQESA-N 1 2 289.295 1.192 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000338665257 525450701 /nfs/dbraw/zinc/45/07/01/525450701.db2.gz VIMBDPCQWAXICN-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000338665257 525450707 /nfs/dbraw/zinc/45/07/07/525450707.db2.gz VIMBDPCQWAXICN-NSHDSACASA-N 1 2 295.339 1.736 20 5 CDBDLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750094183 574578446 /nfs/dbraw/zinc/57/84/46/574578446.db2.gz ADGLDGJQKDCLIA-GXFFZTMASA-N 1 2 296.323 1.512 20 5 CDBDLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750094183 574578449 /nfs/dbraw/zinc/57/84/49/574578449.db2.gz ADGLDGJQKDCLIA-GXFFZTMASA-N 1 2 296.323 1.512 20 5 CDBDLO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000759426469 576388360 /nfs/dbraw/zinc/38/83/60/576388360.db2.gz SNAUJDASCDIRCT-NSHDSACASA-N 1 2 267.260 1.054 20 5 CDBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000759426469 576388363 /nfs/dbraw/zinc/38/83/63/576388363.db2.gz SNAUJDASCDIRCT-NSHDSACASA-N 1 2 267.260 1.054 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000804401897 829146537 /nfs/dbraw/zinc/14/65/37/829146537.db2.gz BEGZWPWGQNXDBW-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000804401897 829146572 /nfs/dbraw/zinc/14/65/72/829146572.db2.gz BEGZWPWGQNXDBW-JTQLQIEISA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000714014759 829543447 /nfs/dbraw/zinc/54/34/47/829543447.db2.gz YTNTWZSSBJXYPU-VIFPVBQESA-N 1 2 281.287 1.510 20 5 CDBDLO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000714014759 829543472 /nfs/dbraw/zinc/54/34/72/829543472.db2.gz YTNTWZSSBJXYPU-VIFPVBQESA-N 1 2 281.287 1.510 20 5 CDBDLO CNC(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000779176678 829881983 /nfs/dbraw/zinc/88/19/83/829881983.db2.gz QDVNDUGHAGZCJF-UHFFFAOYSA-N 1 2 293.323 1.449 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835325304 832535054 /nfs/dbraw/zinc/53/50/54/832535054.db2.gz UNFPVMOTKOEIDW-UHFFFAOYSA-N 1 2 269.301 1.341 20 5 CDBDLO COCC1([N@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886093937 832816408 /nfs/dbraw/zinc/81/64/08/832816408.db2.gz KLXSZVVDSNZOIH-UHFFFAOYSA-N 1 2 251.286 1.601 20 5 CDBDLO COCC1([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886093937 832816412 /nfs/dbraw/zinc/81/64/12/832816412.db2.gz KLXSZVVDSNZOIH-UHFFFAOYSA-N 1 2 251.286 1.601 20 5 CDBDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000104849067 834975069 /nfs/dbraw/zinc/97/50/69/834975069.db2.gz JNIXFCULMWYMQQ-UHFFFAOYSA-N 1 2 289.295 1.112 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000778942059 835231862 /nfs/dbraw/zinc/23/18/62/835231862.db2.gz FJBSOMUCJJBWIR-LLVKDONJSA-N 1 2 277.324 1.786 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000778942059 835231880 /nfs/dbraw/zinc/23/18/80/835231880.db2.gz FJBSOMUCJJBWIR-LLVKDONJSA-N 1 2 277.324 1.786 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218232301 898499312 /nfs/dbraw/zinc/49/93/12/898499312.db2.gz PWKUXGDQYRMASU-JTQLQIEISA-N 1 2 258.224 1.889 20 5 CDBDLO CC(C)[NH+]1CC(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001168311629 908968361 /nfs/dbraw/zinc/96/83/61/908968361.db2.gz GCNAJZJSQAEBEV-UHFFFAOYSA-N 1 2 286.719 1.386 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006182 927609694 /nfs/dbraw/zinc/60/96/94/927609694.db2.gz FVRDRICHVGJROK-AEJSXWLSSA-N 1 2 264.272 1.134 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC(F)(F)C[C@H]2CO)C1 ZINC001169006182 927609705 /nfs/dbraw/zinc/60/97/05/927609705.db2.gz FVRDRICHVGJROK-AEJSXWLSSA-N 1 2 264.272 1.134 20 5 CDBDLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053561 927672632 /nfs/dbraw/zinc/67/26/32/927672632.db2.gz IRQIDYXKVQWJAT-RYUDHWBXSA-N 1 2 299.371 1.942 20 5 CDBDLO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053561 927672643 /nfs/dbraw/zinc/67/26/43/927672643.db2.gz IRQIDYXKVQWJAT-RYUDHWBXSA-N 1 2 299.371 1.942 20 5 CDBDLO C[N@H+](CC(=O)OCCC[N+](=O)[O-])Cc1ccccc1 ZINC001122999655 936101703 /nfs/dbraw/zinc/10/17/03/936101703.db2.gz BYCCGDFUVMPONM-UHFFFAOYSA-N 1 2 266.297 1.328 20 5 CDBDLO C[N@@H+](CC(=O)OCCC[N+](=O)[O-])Cc1ccccc1 ZINC001122999655 936101704 /nfs/dbraw/zinc/10/17/04/936101704.db2.gz BYCCGDFUVMPONM-UHFFFAOYSA-N 1 2 266.297 1.328 20 5 CDBDLO Cc1cnc(COC2C[NH+](C)C2)c(C)c1[N+](=O)[O-] ZINC001224183224 941728276 /nfs/dbraw/zinc/72/82/76/941728276.db2.gz OIWSCJFBUASNPA-UHFFFAOYSA-N 1 2 251.286 1.437 20 5 CDBDLO COc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](C)CCO1 ZINC001227701710 942207198 /nfs/dbraw/zinc/20/71/98/942207198.db2.gz PHHYXGFPHVIRKI-SNVBAGLBSA-N 1 2 282.296 1.313 20 5 CDBDLO COc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001227701710 942207201 /nfs/dbraw/zinc/20/72/01/942207201.db2.gz PHHYXGFPHVIRKI-SNVBAGLBSA-N 1 2 282.296 1.313 20 5 CDBDLO Cc1c(C)c([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001229881306 942548681 /nfs/dbraw/zinc/54/86/81/942548681.db2.gz RSFQYOZUCHSNHN-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1c(C)c([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001229881306 942548686 /nfs/dbraw/zinc/54/86/86/942548686.db2.gz RSFQYOZUCHSNHN-GFCCVEGCSA-N 1 2 280.324 1.921 20 5 CDBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001333001007 957999999 /nfs/dbraw/zinc/99/99/99/957999999.db2.gz CVZMMCUPBGAZAT-LBPRGKRZSA-N 1 2 258.318 1.461 20 5 CDBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC[N+](=O)[O-] ZINC001333001007 958000007 /nfs/dbraw/zinc/00/00/07/958000007.db2.gz CVZMMCUPBGAZAT-LBPRGKRZSA-N 1 2 258.318 1.461 20 5 CDBDLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000589466253 342507162 /nfs/dbraw/zinc/50/71/62/342507162.db2.gz OOSVPTFVJGNIBV-JTQLQIEISA-N 1 2 288.307 1.748 20 5 CDBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340606098 361883602 /nfs/dbraw/zinc/88/36/02/361883602.db2.gz BNWWMYJIMHAOCW-UHFFFAOYSA-N 1 2 289.295 1.550 20 5 CDBDLO CCc1n[nH]c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000594421083 342903442 /nfs/dbraw/zinc/90/34/42/342903442.db2.gz KHTSXURGZNFDBP-ZCFIWIBFSA-N 1 2 278.272 1.094 20 5 CDBDLO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000595434365 343059880 /nfs/dbraw/zinc/05/98/80/343059880.db2.gz UXKALODXEXCLDF-QMMMGPOBSA-N 1 2 279.275 1.713 20 5 CDBDLO Cc1c(CC(=O)N(C)Cc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000597862332 343661132 /nfs/dbraw/zinc/66/11/32/343661132.db2.gz HNNALJUURMGRIS-UHFFFAOYSA-N 1 2 288.307 1.827 20 5 CDBDLO Cc1c(CC(=O)N(C)Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000597862332 343661134 /nfs/dbraw/zinc/66/11/34/343661134.db2.gz HNNALJUURMGRIS-UHFFFAOYSA-N 1 2 288.307 1.827 20 5 CDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1[nH+]ccn1C ZINC000598459005 343804441 /nfs/dbraw/zinc/80/44/41/343804441.db2.gz BVVJBAKXGDIKAU-ZETCQYMHSA-N 1 2 263.257 1.147 20 5 CDBDLO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459771 343804956 /nfs/dbraw/zinc/80/49/56/343804956.db2.gz MGCPBOBMQDKLRJ-JTQLQIEISA-N 1 2 288.307 1.748 20 5 CDBDLO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000614006579 347961998 /nfs/dbraw/zinc/96/19/98/347961998.db2.gz ASDLKBQAPVQJQY-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000614006579 347962001 /nfs/dbraw/zinc/96/20/01/347962001.db2.gz ASDLKBQAPVQJQY-SNVBAGLBSA-N 1 2 293.323 1.467 20 5 CDBDLO Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000091864449 180275243 /nfs/dbraw/zinc/27/52/43/180275243.db2.gz IGOBEHVSHRQODR-GFCCVEGCSA-N 1 2 290.323 1.113 20 5 CDBDLO Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000091864449 180275245 /nfs/dbraw/zinc/27/52/45/180275245.db2.gz IGOBEHVSHRQODR-GFCCVEGCSA-N 1 2 290.323 1.113 20 5 CDBDLO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184604826 357490325 /nfs/dbraw/zinc/49/03/25/357490325.db2.gz FRNUBOJLQWSKJV-UHFFFAOYSA-N 1 2 279.296 1.124 20 5 CDBDLO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(F)F ZINC000176221768 358740995 /nfs/dbraw/zinc/74/09/95/358740995.db2.gz JCZHKLFCYFZTCK-UHFFFAOYSA-N 1 2 262.260 1.768 20 5 CDBDLO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(F)F ZINC000176221768 358740999 /nfs/dbraw/zinc/74/09/99/358740999.db2.gz JCZHKLFCYFZTCK-UHFFFAOYSA-N 1 2 262.260 1.768 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000264968143 358799616 /nfs/dbraw/zinc/79/96/16/358799616.db2.gz YJJNBQJFPWCAPQ-GFCCVEGCSA-N 1 2 293.371 1.346 20 5 CDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cn1cc[nH+]c1 ZINC000353013656 359055425 /nfs/dbraw/zinc/05/54/25/359055425.db2.gz QXCZJVDGDLYJFR-SNVBAGLBSA-N 1 2 291.311 1.196 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000048336669 359202035 /nfs/dbraw/zinc/20/20/35/359202035.db2.gz IIOJYKAOCGFERB-SNVBAGLBSA-N 1 2 266.301 1.122 20 5 CDBDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000296871910 200020832 /nfs/dbraw/zinc/02/08/32/200020832.db2.gz ZUFNTJNHMCZQKO-VIFPVBQESA-N 1 2 291.311 1.895 20 5 CDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340438273 360789059 /nfs/dbraw/zinc/78/90/59/360789059.db2.gz BJAFQVSORGUGLB-UHFFFAOYSA-N 1 2 285.263 1.501 20 5 CDBDLO COC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000103147467 364726894 /nfs/dbraw/zinc/72/68/94/364726894.db2.gz XVBMQJRYBBOFOC-CYBMUJFWSA-N 1 2 294.307 1.011 20 5 CDBDLO COC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000103147467 364726902 /nfs/dbraw/zinc/72/69/02/364726902.db2.gz XVBMQJRYBBOFOC-CYBMUJFWSA-N 1 2 294.307 1.011 20 5 CDBDLO Cc1c(C[NH2+]Cc2ncnn2C)cccc1[N+](=O)[O-] ZINC000231885377 364997636 /nfs/dbraw/zinc/99/76/36/364997636.db2.gz BISSIAQAHZYFQV-UHFFFAOYSA-N 1 2 261.285 1.322 20 5 CDBDLO Cc1[nH]nc(C(=O)Nc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000352014331 367333326 /nfs/dbraw/zinc/33/33/26/367333326.db2.gz PGUKLJLGNBDSTL-UHFFFAOYSA-N 1 2 261.241 1.004 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn2ccccc2[nH+]1 ZINC000351653998 370272500 /nfs/dbraw/zinc/27/25/00/370272500.db2.gz YBDNVMYZLMCLBR-UHFFFAOYSA-N 1 2 257.253 1.796 20 5 CDBDLO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000269622483 373200383 /nfs/dbraw/zinc/20/03/83/373200383.db2.gz ITIGRPOYVVJAFU-SNVBAGLBSA-N 1 2 298.293 1.285 20 5 CDBDLO COCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077408855 374259019 /nfs/dbraw/zinc/25/90/19/374259019.db2.gz RJAIDFFRBOBMCL-UHFFFAOYSA-N 1 2 293.323 1.062 20 5 CDBDLO COCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077408855 374259029 /nfs/dbraw/zinc/25/90/29/374259029.db2.gz RJAIDFFRBOBMCL-UHFFFAOYSA-N 1 2 293.323 1.062 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCOCC3)nc2c1 ZINC000370236584 374386508 /nfs/dbraw/zinc/38/65/08/374386508.db2.gz RWDKJYOTJCWWOJ-UHFFFAOYSA-N 1 2 277.280 1.958 20 5 CDBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCOCC3)nc2c1 ZINC000370236584 374386519 /nfs/dbraw/zinc/38/65/19/374386519.db2.gz RWDKJYOTJCWWOJ-UHFFFAOYSA-N 1 2 277.280 1.958 20 5 CDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1=O ZINC000331456962 374958319 /nfs/dbraw/zinc/95/83/19/374958319.db2.gz GHKJRYCPCXVJDI-CQSZACIVSA-N 1 2 289.335 1.790 20 5 CDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1=O ZINC000331456962 374958325 /nfs/dbraw/zinc/95/83/25/374958325.db2.gz GHKJRYCPCXVJDI-CQSZACIVSA-N 1 2 289.335 1.790 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299677987 375193333 /nfs/dbraw/zinc/19/33/33/375193333.db2.gz QXYGRSAVOFWEFV-UHFFFAOYSA-N 1 2 289.295 1.666 20 5 CDBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293903389 375414426 /nfs/dbraw/zinc/41/44/26/375414426.db2.gz FJXNXAATGHDMTE-AOOOYVTPSA-N 1 2 293.323 1.465 20 5 CDBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293903389 375414435 /nfs/dbraw/zinc/41/44/35/375414435.db2.gz FJXNXAATGHDMTE-AOOOYVTPSA-N 1 2 293.323 1.465 20 5 CDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cc[nH+]c2)c1 ZINC000026711513 375562036 /nfs/dbraw/zinc/56/20/36/375562036.db2.gz GINZIJYSLBPOMX-LLVKDONJSA-N 1 2 263.253 1.231 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000353159143 375581868 /nfs/dbraw/zinc/58/18/68/375581868.db2.gz HSZAODHITXOKCU-UHFFFAOYSA-N 1 2 290.279 1.322 20 5 CDBDLO COc1cccc(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000428121293 247246905 /nfs/dbraw/zinc/24/69/05/247246905.db2.gz NXYPAXDLIGPIHW-UHFFFAOYSA-N 1 2 262.269 1.963 20 5 CDBDLO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357025550 375876002 /nfs/dbraw/zinc/87/60/02/375876002.db2.gz AINUTUFCPNXFFV-LLVKDONJSA-N 1 2 295.339 1.746 20 5 CDBDLO Cn1c(C(=O)NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000357721479 375930072 /nfs/dbraw/zinc/93/00/72/375930072.db2.gz LPEIDAUNLOKGFC-UHFFFAOYSA-N 1 2 289.295 1.170 20 5 CDBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357616438 378554955 /nfs/dbraw/zinc/55/49/55/378554955.db2.gz YGFXHIMGUJTNOL-SNVBAGLBSA-N 1 2 275.312 1.916 20 5 CDBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357616438 378554960 /nfs/dbraw/zinc/55/49/60/378554960.db2.gz YGFXHIMGUJTNOL-SNVBAGLBSA-N 1 2 275.312 1.916 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]ccn1C ZINC000446484208 250295270 /nfs/dbraw/zinc/29/52/70/250295270.db2.gz HAKFUQBSVFQKFX-UHFFFAOYSA-N 1 2 289.295 1.958 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](O)C1 ZINC000303386884 285155592 /nfs/dbraw/zinc/15/55/92/285155592.db2.gz AVGIFRPBXBLBSW-VIFPVBQESA-N 1 2 254.261 1.691 20 5 CDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000303386884 285155595 /nfs/dbraw/zinc/15/55/95/285155595.db2.gz AVGIFRPBXBLBSW-VIFPVBQESA-N 1 2 254.261 1.691 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+](C)C1CC1 ZINC000157772701 390416977 /nfs/dbraw/zinc/41/69/77/390416977.db2.gz VVDUFNFEISLHKX-VIFPVBQESA-N 1 2 293.323 1.513 20 5 CDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+](C)C1CC1 ZINC000157772701 390416979 /nfs/dbraw/zinc/41/69/79/390416979.db2.gz VVDUFNFEISLHKX-VIFPVBQESA-N 1 2 293.323 1.513 20 5 CDBDLO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000339057921 390682049 /nfs/dbraw/zinc/68/20/49/390682049.db2.gz IKYMJHVXOPZOEG-TVQRCGJNSA-N 1 2 266.297 1.503 20 5 CDBDLO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000339057921 390682053 /nfs/dbraw/zinc/68/20/53/390682053.db2.gz IKYMJHVXOPZOEG-TVQRCGJNSA-N 1 2 266.297 1.503 20 5 CDBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC000189855754 130030337 /nfs/dbraw/zinc/03/03/37/130030337.db2.gz VTRIDMHSGMVKKU-VHSXEESVSA-N 1 2 290.327 1.839 20 5 CDBDLO Nc1ccc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000192762644 391796288 /nfs/dbraw/zinc/79/62/88/391796288.db2.gz GFEKIRUAFACUMW-UHFFFAOYSA-N 1 2 299.334 1.899 20 5 CDBDLO COC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000227769104 130852181 /nfs/dbraw/zinc/85/21/81/130852181.db2.gz KWCZZFWCXRPMIY-ZDUSSCGKSA-N 1 2 278.308 1.679 20 5 CDBDLO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262048751 131186990 /nfs/dbraw/zinc/18/69/90/131186990.db2.gz HCHLYZCMGPFMAF-ZJUUUORDSA-N 1 2 279.296 1.158 20 5 CDBDLO Cc1[nH+]c2ccccn2c1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000131043725 392993103 /nfs/dbraw/zinc/99/31/03/392993103.db2.gz AEJOYNUFNKSZRN-UHFFFAOYSA-N 1 2 284.275 1.761 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C(N)=O)C1 ZINC000426217239 393040365 /nfs/dbraw/zinc/04/03/65/393040365.db2.gz UMGFEPZODYDDCV-RNCFNFMXSA-N 1 2 295.314 1.820 20 5 CDBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C(N)=O)C1 ZINC000426217239 393040369 /nfs/dbraw/zinc/04/03/69/393040369.db2.gz UMGFEPZODYDDCV-RNCFNFMXSA-N 1 2 295.314 1.820 20 5 CDBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000131579633 393202576 /nfs/dbraw/zinc/20/25/76/393202576.db2.gz JACJUQNXTQZCQP-UHFFFAOYSA-N 1 2 292.270 1.751 20 5 CDBDLO O=c1ccn(Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000188037691 140086874 /nfs/dbraw/zinc/08/68/74/140086874.db2.gz CGLIEQHQMMCQQW-UHFFFAOYSA-N 1 2 296.286 1.991 20 5 CDBDLO Cc1ccc(C[NH2+]Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000191896272 140139066 /nfs/dbraw/zinc/13/90/66/140139066.db2.gz UWUYIRIEYCGWOU-UHFFFAOYSA-N 1 2 291.311 1.642 20 5 CDBDLO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262405823 149059457 /nfs/dbraw/zinc/05/94/57/149059457.db2.gz QCARMHAZQPRRQG-DTWKUNHWSA-N 1 2 279.296 1.110 20 5 CDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc2[nH+]ccn21 ZINC000358780285 158023353 /nfs/dbraw/zinc/02/33/53/158023353.db2.gz MIQVLBPRJPQQEJ-UHFFFAOYSA-N 1 2 286.251 1.078 20 5 CDBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359830338 158392615 /nfs/dbraw/zinc/39/26/15/158392615.db2.gz IPUIMHDUNQMOPZ-CYBMUJFWSA-N 1 2 284.287 1.317 20 5 CDBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359830338 158392616 /nfs/dbraw/zinc/39/26/16/158392616.db2.gz IPUIMHDUNQMOPZ-CYBMUJFWSA-N 1 2 284.287 1.317 20 5 CDBDLO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000077368146 177258379 /nfs/dbraw/zinc/25/83/79/177258379.db2.gz SUKLXKABIRASST-UWVGGRQHSA-N 1 2 293.323 1.303 20 5 CDBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000080411891 279242673 /nfs/dbraw/zinc/24/26/73/279242673.db2.gz NEFBDSCPDKEKCK-GFCCVEGCSA-N 1 2 293.323 1.370 20 5 CDBDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000189077842 290306778 /nfs/dbraw/zinc/30/67/78/290306778.db2.gz LQULIZZECAAXHU-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000189077842 290306781 /nfs/dbraw/zinc/30/67/81/290306781.db2.gz LQULIZZECAAXHU-JTQLQIEISA-N 1 2 263.297 1.305 20 5 CDBDLO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153759441 482749711 /nfs/dbraw/zinc/74/97/11/482749711.db2.gz GYBDRCKXZPVRIL-NSHDSACASA-N 1 2 288.307 1.857 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000068806811 525570163 /nfs/dbraw/zinc/57/01/63/525570163.db2.gz OQOFTLMCDQZCOH-ZDUSSCGKSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000068806811 525570170 /nfs/dbraw/zinc/57/01/70/525570170.db2.gz OQOFTLMCDQZCOH-ZDUSSCGKSA-N 1 2 278.356 1.561 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895246323 619492091 /nfs/dbraw/zinc/49/20/91/619492091.db2.gz MYMWFGPOLLPAAN-WCQYABFASA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000895246323 619492092 /nfs/dbraw/zinc/49/20/92/619492092.db2.gz MYMWFGPOLLPAAN-WCQYABFASA-N 1 2 293.371 1.344 20 5 CDBDLO COc1cc(C)nc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155195892 1167104300 /nfs/dbraw/zinc/10/43/00/1167104300.db2.gz GFZYTVLJUAZCQO-JTQLQIEISA-N 1 2 296.327 1.049 20 5 CDBDLO COc1cc(C)nc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155195892 1167104303 /nfs/dbraw/zinc/10/43/03/1167104303.db2.gz GFZYTVLJUAZCQO-JTQLQIEISA-N 1 2 296.327 1.049 20 5 CDBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000885963940 839923809 /nfs/dbraw/zinc/92/38/09/839923809.db2.gz SMEBKALYHNWZTC-LBPRGKRZSA-N 1 2 265.313 1.991 20 5 CDBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000885963940 839923829 /nfs/dbraw/zinc/92/38/29/839923829.db2.gz SMEBKALYHNWZTC-LBPRGKRZSA-N 1 2 265.313 1.991 20 5 CDBDLO CCOC1(C)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000793547104 840836502 /nfs/dbraw/zinc/83/65/02/840836502.db2.gz RBEOLLLFHMBCMH-UHFFFAOYSA-N 1 2 268.317 1.640 20 5 CDBDLO Cc1noc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000106081893 841828043 /nfs/dbraw/zinc/82/80/43/841828043.db2.gz IBYUSKJUUXONOY-NSHDSACASA-N 1 2 278.268 1.109 20 5 CDBDLO Nc1cc(CNc2c(Cl)cncc2[N+](=O)[O-])cc[nH+]1 ZINC001167616762 897050574 /nfs/dbraw/zinc/05/05/74/897050574.db2.gz PJFQEDHEOARPMA-UHFFFAOYSA-N 1 2 279.687 1.654 20 5 CDBDLO O=[N+]([O-])c1cc(NCCCn2cc[nH+]c2)cn2cnnc12 ZINC001161688111 905239574 /nfs/dbraw/zinc/23/95/74/905239574.db2.gz JPBGUIYXQAITGN-UHFFFAOYSA-N 1 2 287.283 1.336 20 5 CDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169011815 927616441 /nfs/dbraw/zinc/61/64/41/927616441.db2.gz MLKSAGZLBYDPSR-NXEZZACHSA-N 1 2 254.290 1.255 20 5 CDBDLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169011815 927616452 /nfs/dbraw/zinc/61/64/52/927616452.db2.gz MLKSAGZLBYDPSR-NXEZZACHSA-N 1 2 254.290 1.255 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226269362 941978477 /nfs/dbraw/zinc/97/84/77/941978477.db2.gz DWUGEGAQFINMRW-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226269362 941978481 /nfs/dbraw/zinc/97/84/81/941978481.db2.gz DWUGEGAQFINMRW-SNVBAGLBSA-N 1 2 270.260 1.443 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233578923 943620415 /nfs/dbraw/zinc/62/04/15/943620415.db2.gz WTMCSAUTOMCPAW-VIFPVBQESA-N 1 2 297.267 1.212 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233578923 943620418 /nfs/dbraw/zinc/62/04/18/943620418.db2.gz WTMCSAUTOMCPAW-VIFPVBQESA-N 1 2 297.267 1.212 20 5 CDBDLO COC(=O)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254585817 947541029 /nfs/dbraw/zinc/54/10/29/947541029.db2.gz XESWUAHFIHVNFI-OCCSQVGLSA-N 1 2 290.319 1.603 20 5 CDBDLO Cc1cn(C(C)(C)C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c[nH+]1 ZINC001303573402 956101005 /nfs/dbraw/zinc/10/10/05/956101005.db2.gz NJDJJXUEQLCMMW-UHFFFAOYSA-N 1 2 278.272 1.197 20 5 CDBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331075648 956805178 /nfs/dbraw/zinc/80/51/78/956805178.db2.gz UQIAHMSERFPZRE-NSHDSACASA-N 1 2 279.296 1.517 20 5 CDBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331075648 956805193 /nfs/dbraw/zinc/80/51/93/956805193.db2.gz UQIAHMSERFPZRE-NSHDSACASA-N 1 2 279.296 1.517 20 5 CDBDLO Cn1cc[nH+]c1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001347352868 965484311 /nfs/dbraw/zinc/48/43/11/965484311.db2.gz GPEOTJOCYXPTDL-UHFFFAOYSA-N 1 2 288.307 1.577 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001354266183 968584580 /nfs/dbraw/zinc/58/45/80/968584580.db2.gz HLVQCUJJZUXJOW-JSGCOSHPSA-N 1 2 292.383 1.949 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001354266183 968584589 /nfs/dbraw/zinc/58/45/89/968584589.db2.gz HLVQCUJJZUXJOW-JSGCOSHPSA-N 1 2 292.383 1.949 20 5 CDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588070239 342492074 /nfs/dbraw/zinc/49/20/74/342492074.db2.gz UWVVCGUQFRKXPU-RYUDHWBXSA-N 1 2 292.339 1.289 20 5 CDBDLO Cc1c(C(=O)N2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000590378074 342540848 /nfs/dbraw/zinc/54/08/48/342540848.db2.gz DERYGSROETXKNG-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1c(C(=O)N2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000590378074 342540849 /nfs/dbraw/zinc/54/08/49/342540849.db2.gz DERYGSROETXKNG-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCn2cc[nH+]c2C1 ZINC000609507965 342556659 /nfs/dbraw/zinc/55/66/59/342556659.db2.gz FZZDQCZTGDUXOL-UHFFFAOYSA-N 1 2 259.269 1.515 20 5 CDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ncccc1O)CC2 ZINC000565488279 365660155 /nfs/dbraw/zinc/66/01/55/365660155.db2.gz CXFHPDWJANPASA-UHFFFAOYSA-N 1 2 286.291 1.649 20 5 CDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ncccc1O)CC2 ZINC000565488279 365660162 /nfs/dbraw/zinc/66/01/62/365660162.db2.gz 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CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609517010 345592515 /nfs/dbraw/zinc/59/25/15/345592515.db2.gz CMPNSNFDGHKSNF-VIFPVBQESA-N 1 2 270.358 1.314 20 5 CDBDLO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1[nH]cc[nH+]1 ZINC000611191222 346684593 /nfs/dbraw/zinc/68/45/93/346684593.db2.gz RGLIRTSDLMEILO-UHFFFAOYSA-N 1 2 289.295 1.388 20 5 CDBDLO C[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046058527 348783995 /nfs/dbraw/zinc/78/39/95/348783995.db2.gz HJESUNIGRZDYCP-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO C[C@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046058527 348783996 /nfs/dbraw/zinc/78/39/96/348783996.db2.gz HJESUNIGRZDYCP-NSHDSACASA-N 1 2 266.297 1.694 20 5 CDBDLO CC(=O)c1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000034090306 362979496 /nfs/dbraw/zinc/97/94/96/362979496.db2.gz DYJMPWBBHOXFHX-UHFFFAOYSA-N 1 2 263.297 1.549 20 5 CDBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000152393858 188015280 /nfs/dbraw/zinc/01/52/80/188015280.db2.gz 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CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N)[nH+]c1 ZINC000192885745 364059403 /nfs/dbraw/zinc/05/94/03/364059403.db2.gz LYNHBSVMCDLOBK-UHFFFAOYSA-N 1 2 276.300 1.709 20 5 CDBDLO Cc1noc([C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000582070631 364067356 /nfs/dbraw/zinc/06/73/56/364067356.db2.gz RAIKGTAAWDIFEM-MRVPVSSYSA-N 1 2 280.288 1.176 20 5 CDBDLO Cc1noc([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000582070631 364067362 /nfs/dbraw/zinc/06/73/62/364067362.db2.gz RAIKGTAAWDIFEM-MRVPVSSYSA-N 1 2 280.288 1.176 20 5 CDBDLO COC[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000563942204 365337242 /nfs/dbraw/zinc/33/72/42/365337242.db2.gz PHIPRAFWFAVVOB-AWEZNQCLSA-N 1 2 291.307 1.952 20 5 CDBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000548461096 366910661 /nfs/dbraw/zinc/91/06/61/366910661.db2.gz ZAQRNOSXPCQOEL-UHFFFAOYSA-N 1 2 280.309 1.362 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC000272335198 367682339 /nfs/dbraw/zinc/68/23/39/367682339.db2.gz 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CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1[nH]cc[nH+]1 ZINC000450466821 251299279 /nfs/dbraw/zinc/29/92/79/251299279.db2.gz JVFDHPRPNMKZGV-MRVPVSSYSA-N 1 2 262.273 1.980 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000134497552 390205656 /nfs/dbraw/zinc/20/56/56/390205656.db2.gz WLDWVTQDOHWOLE-UHFFFAOYSA-N 1 2 290.279 1.299 20 5 CDBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000371587047 392978267 /nfs/dbraw/zinc/97/82/67/392978267.db2.gz ZOXWQADBXQVNOY-LBPRGKRZSA-N 1 2 296.327 1.209 20 5 CDBDLO COC(=O)[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000371587047 392978272 /nfs/dbraw/zinc/97/82/72/392978272.db2.gz ZOXWQADBXQVNOY-LBPRGKRZSA-N 1 2 296.327 1.209 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1[nH+]ccn1C ZINC000430212775 393093569 /nfs/dbraw/zinc/09/35/69/393093569.db2.gz PTUXWMCWKWDNDT-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C(N)=O)C1 ZINC000426217235 393040618 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O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)nc2c1 ZINC000769792498 575384488 /nfs/dbraw/zinc/38/44/88/575384488.db2.gz YDCVHGCFRZIEBP-LKFCYVNXSA-N 1 2 288.307 1.285 20 5 CDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)nc2c1 ZINC000769792498 575384491 /nfs/dbraw/zinc/38/44/91/575384491.db2.gz YDCVHGCFRZIEBP-LKFCYVNXSA-N 1 2 288.307 1.285 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCNC1=O ZINC000747840303 576886820 /nfs/dbraw/zinc/88/68/20/576886820.db2.gz NGLXMAAUQQFNJT-CYBMUJFWSA-N 1 2 295.314 1.834 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCNC1=O ZINC000747840303 576886821 /nfs/dbraw/zinc/88/68/21/576886821.db2.gz NGLXMAAUQQFNJT-CYBMUJFWSA-N 1 2 295.314 1.834 20 5 CDBDLO COC1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000759049455 577149687 /nfs/dbraw/zinc/14/96/87/577149687.db2.gz LZNXVHWPNVMYRP-GFCCVEGCSA-N 1 2 266.297 1.349 20 5 CDBDLO Cc1nn(C[N@@H+]2CC[C@H]2CO)c2cc([N+](=O)[O-])ccc12 ZINC000902631424 625062857 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Cc1nn(C[N@H+](C)CCOCC2CC2)c(C)c1[N+](=O)[O-] ZINC000088507286 844407957 /nfs/dbraw/zinc/40/79/57/844407957.db2.gz OCBUJBSEYUVRKV-UHFFFAOYSA-N 1 2 282.344 1.724 20 5 CDBDLO Cc1nn(C[N@@H+](C)CCOCC2CC2)c(C)c1[N+](=O)[O-] ZINC000088507286 844407960 /nfs/dbraw/zinc/40/79/60/844407960.db2.gz OCBUJBSEYUVRKV-UHFFFAOYSA-N 1 2 282.344 1.724 20 5 CDBDLO COCC[N@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000929616988 843104524 /nfs/dbraw/zinc/10/45/24/843104524.db2.gz ADKWURRAITZUEL-UHFFFAOYSA-N 1 2 282.296 1.140 20 5 CDBDLO COCC[N@@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000929616988 843104534 /nfs/dbraw/zinc/10/45/34/843104534.db2.gz ADKWURRAITZUEL-UHFFFAOYSA-N 1 2 282.296 1.140 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000886228549 843845597 /nfs/dbraw/zinc/84/55/97/843845597.db2.gz AWUQRMBDXRCLFX-NSHDSACASA-N 1 2 273.239 1.192 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000886228549 843845598 /nfs/dbraw/zinc/84/55/98/843845598.db2.gz 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370718094 /nfs/dbraw/zinc/71/80/94/370718094.db2.gz MKNXFQLCODPFCD-UHFFFAOYSA-N 1 2 261.285 1.322 20 5 CDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000456351208 364251482 /nfs/dbraw/zinc/25/14/82/364251482.db2.gz MCIIMQLNTIRQLU-QMMMGPOBSA-N 1 2 278.268 1.895 20 5 CDBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000271072305 366965584 /nfs/dbraw/zinc/96/55/84/366965584.db2.gz FMKLMQXFORFQDQ-JTQLQIEISA-N 1 2 288.250 1.763 20 5 CDBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000271072305 366965589 /nfs/dbraw/zinc/96/55/89/366965589.db2.gz FMKLMQXFORFQDQ-JTQLQIEISA-N 1 2 288.250 1.763 20 5 CDBDLO CC[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000271190512 366982200 /nfs/dbraw/zinc/98/22/00/366982200.db2.gz MACPWNXIMKTJMQ-AWEZNQCLSA-N 1 2 296.323 1.905 20 5 CDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000274992517 367023726 /nfs/dbraw/zinc/02/37/26/367023726.db2.gz OFQVRULQJDKBEO-WDEREUQCSA-N 1 2 296.327 1.065 20 5 CDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000274992517 367023733 /nfs/dbraw/zinc/02/37/33/367023733.db2.gz OFQVRULQJDKBEO-WDEREUQCSA-N 1 2 296.327 1.065 20 5 CDBDLO COc1cc(C[N@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000274288715 367676857 /nfs/dbraw/zinc/67/68/57/367676857.db2.gz GBOTZHDORJYPNJ-JTQLQIEISA-N 1 2 284.287 1.963 20 5 CDBDLO COc1cc(C[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000274288715 367676862 /nfs/dbraw/zinc/67/68/62/367676862.db2.gz GBOTZHDORJYPNJ-JTQLQIEISA-N 1 2 284.287 1.963 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCNC(=O)CC1 ZINC000266750716 374953967 /nfs/dbraw/zinc/95/39/67/374953967.db2.gz PQTVZIWNQAYFAL-SNVBAGLBSA-N 1 2 263.297 1.478 20 5 CDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCNC(=O)CC1 ZINC000266750716 374953972 /nfs/dbraw/zinc/95/39/72/374953972.db2.gz PQTVZIWNQAYFAL-SNVBAGLBSA-N 1 2 263.297 1.478 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000353160885 375582130 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C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC[N@H+]1C ZINC000345325918 377935467 /nfs/dbraw/zinc/93/54/67/377935467.db2.gz SCAOVWJEZIKNHP-KOLCDFICSA-N 1 2 293.323 1.513 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccnn1C ZINC000430237693 393095203 /nfs/dbraw/zinc/09/52/03/393095203.db2.gz PHQKDCSNXVQWJJ-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccnn1C ZINC000430237693 393095205 /nfs/dbraw/zinc/09/52/05/393095205.db2.gz PHQKDCSNXVQWJJ-UHFFFAOYSA-N 1 2 290.323 1.969 20 5 CDBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])cc1C ZINC000431428579 393109523 /nfs/dbraw/zinc/10/95/23/393109523.db2.gz VGHNMUFWRQFRED-UHFFFAOYSA-N 1 2 274.280 1.736 20 5 CDBDLO CC(C)OC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000530925587 393057409 /nfs/dbraw/zinc/05/74/09/393057409.db2.gz CGBHTIAKRKRBOW-UHFFFAOYSA-N 1 2 282.344 1.718 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(N2CC(n3cc[nH+]c3)C2)n1 ZINC000532218816 393069675 /nfs/dbraw/zinc/06/96/75/393069675.db2.gz HPLCLSSZPMWWAW-UHFFFAOYSA-N 1 2 259.269 1.556 20 5 CDBDLO C[N@H+](Cc1cc(=O)c(O)co1)Cc1ccccc1[N+](=O)[O-] ZINC000346434788 153185317 /nfs/dbraw/zinc/18/53/17/153185317.db2.gz JSGGQKZGPCSHSX-UHFFFAOYSA-N 1 2 290.275 1.886 20 5 CDBDLO C[N@@H+](Cc1cc(=O)c(O)co1)Cc1ccccc1[N+](=O)[O-] ZINC000346434788 153185319 /nfs/dbraw/zinc/18/53/19/153185319.db2.gz JSGGQKZGPCSHSX-UHFFFAOYSA-N 1 2 290.275 1.886 20 5 CDBDLO Cc1ccn(Cc2[nH+]ccn2C(F)F)c(=O)c1[N+](=O)[O-] ZINC000348887971 154004093 /nfs/dbraw/zinc/00/40/93/154004093.db2.gz XZBWWFQKTMXXFK-UHFFFAOYSA-N 1 2 284.222 1.705 20 5 CDBDLO CC[C@@H]1C[N@H+](CCNc2c([N+](=O)[O-])c(C)nn2C)CCO1 ZINC000362661579 159206296 /nfs/dbraw/zinc/20/62/96/159206296.db2.gz FURMYUKNBLLFQE-LLVKDONJSA-N 1 2 297.359 1.159 20 5 CDBDLO CC[C@@H]1C[N@@H+](CCNc2c([N+](=O)[O-])c(C)nn2C)CCO1 ZINC000362661579 159206298 /nfs/dbraw/zinc/20/62/98/159206298.db2.gz FURMYUKNBLLFQE-LLVKDONJSA-N 1 2 297.359 1.159 20 5 CDBDLO C[C@@H](CO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285227000 196227248 /nfs/dbraw/zinc/22/72/48/196227248.db2.gz GVWISSANPCXFCY-ZETCQYMHSA-N 1 2 260.240 1.686 20 5 CDBDLO C[C@@H](CO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285227000 196227249 /nfs/dbraw/zinc/22/72/49/196227249.db2.gz GVWISSANPCXFCY-ZETCQYMHSA-N 1 2 260.240 1.686 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)n1 ZINC000285492076 196302072 /nfs/dbraw/zinc/30/20/72/196302072.db2.gz WUPMDBKJLGFNGW-GFCCVEGCSA-N 1 2 290.327 1.742 20 5 CDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)n1 ZINC000285492076 196302073 /nfs/dbraw/zinc/30/20/73/196302073.db2.gz WUPMDBKJLGFNGW-GFCCVEGCSA-N 1 2 290.327 1.742 20 5 CDBDLO Cn1cc[nH+]c1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000071276865 176107464 /nfs/dbraw/zinc/10/74/64/176107464.db2.gz JGDAGHNIRLXZJH-UHFFFAOYSA-N 1 2 267.676 1.989 20 5 CDBDLO Cc1c(C[NH2+][C@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000391958352 265031933 /nfs/dbraw/zinc/03/19/33/265031933.db2.gz KEENDEORRGLWGP-SNVBAGLBSA-N 1 2 275.312 1.883 20 5 CDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(n2cc[nH+]c2)C1 ZINC000524375399 281108006 /nfs/dbraw/zinc/10/80/06/281108006.db2.gz GUCOSBRALFFFGI-UHFFFAOYSA-N 1 2 286.291 1.417 20 5 CDBDLO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000182924961 289195169 /nfs/dbraw/zinc/19/51/69/289195169.db2.gz PPGFYKXICIXIAQ-JTQLQIEISA-N 1 2 293.323 1.324 20 5 CDBDLO C[NH+](C)Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000350593679 316183935 /nfs/dbraw/zinc/18/39/35/316183935.db2.gz INGXBNTWAXJFMP-UHFFFAOYSA-N 1 2 262.269 1.630 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413094174 482806094 /nfs/dbraw/zinc/80/60/94/482806094.db2.gz OYBDTOACXGBICS-QMMMGPOBSA-N 1 2 265.248 1.826 20 5 CDBDLO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184742339 522096227 /nfs/dbraw/zinc/09/62/27/522096227.db2.gz ZXHFDCHDCJVKQW-NSHDSACASA-N 1 2 293.323 1.467 20 5 CDBDLO C[NH+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000050697258 523881670 /nfs/dbraw/zinc/88/16/70/523881670.db2.gz HADXYUCMQOAUOS-UHFFFAOYSA-N 1 2 298.730 1.218 20 5 CDBDLO O=C(COc1cccc([N+](=O)[O-])c1)OCCn1cc[nH+]c1 ZINC000771905271 575634524 /nfs/dbraw/zinc/63/45/24/575634524.db2.gz OXANPRQGOXCEDP-UHFFFAOYSA-N 1 2 291.263 1.414 20 5 CDBDLO O=[N+]([O-])c1cnn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159444 576045019 /nfs/dbraw/zinc/04/50/19/576045019.db2.gz SRZLYIZVOXRJSN-LLVKDONJSA-N 1 2 276.300 1.282 20 5 CDBDLO Cn1c[nH+]cc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000753145593 577149141 /nfs/dbraw/zinc/14/91/41/577149141.db2.gz BNMCMDGEVMQFIJ-UHFFFAOYSA-N 1 2 261.237 1.685 20 5 CDBDLO CNc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc[nH+]1 ZINC000892996854 618041125 /nfs/dbraw/zinc/04/11/25/618041125.db2.gz CAMIAYKVCBDTGD-UHFFFAOYSA-N 1 2 285.307 1.989 20 5 CDBDLO CNc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]cn1 ZINC000892996854 618041135 /nfs/dbraw/zinc/04/11/35/618041135.db2.gz CAMIAYKVCBDTGD-UHFFFAOYSA-N 1 2 285.307 1.989 20 5 CDBDLO C[C@H](Cn1cc[nH+]c1)Nc1c([N+](=O)[O-])cnn1C ZINC000891783406 617587291 /nfs/dbraw/zinc/58/72/91/617587291.db2.gz GGRJBZWLYHGHCC-MRVPVSSYSA-N 1 2 250.262 1.025 20 5 CDBDLO COc1c(O)ccc(C[NH+]2CC(C)C2)c1[N+](=O)[O-] ZINC000894158949 618637792 /nfs/dbraw/zinc/63/77/92/618637792.db2.gz RHPGQKKJPDBKJY-UHFFFAOYSA-N 1 2 252.270 1.761 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895246423 619491409 /nfs/dbraw/zinc/49/14/09/619491409.db2.gz OOTRGYCENRVFSG-AAEUAGOBSA-N 1 2 293.371 1.344 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895246423 619491411 /nfs/dbraw/zinc/49/14/11/619491411.db2.gz OOTRGYCENRVFSG-AAEUAGOBSA-N 1 2 293.371 1.344 20 5 CDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000895804612 619853311 /nfs/dbraw/zinc/85/33/11/619853311.db2.gz LPKZAYASOUVYAV-LBPRGKRZSA-N 1 2 294.355 1.821 20 5 CDBDLO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)cn1 ZINC000905407602 626800306 /nfs/dbraw/zinc/80/03/06/626800306.db2.gz DSWWSHHLXBUXCT-UHFFFAOYSA-N 1 2 260.091 1.210 20 5 CDBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449363 630556787 /nfs/dbraw/zinc/55/67/87/630556787.db2.gz ZNLSFJMKOBPOFX-QWRGUYRKSA-N 1 2 282.344 1.884 20 5 CDBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000156449363 630556794 /nfs/dbraw/zinc/55/67/94/630556794.db2.gz ZNLSFJMKOBPOFX-QWRGUYRKSA-N 1 2 282.344 1.884 20 5 CDBDLO COC(=O)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000918736931 632435266 /nfs/dbraw/zinc/43/52/66/632435266.db2.gz YJEXJAZMGWPQIY-UHFFFAOYSA-N 1 2 282.300 1.024 20 5 CDBDLO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329799 1162338532 /nfs/dbraw/zinc/33/85/32/1162338532.db2.gz UUAIRTCBKFFUAU-LJWDBELGSA-N 1 2 298.314 1.549 20 5 CDBDLO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329799 1162338534 /nfs/dbraw/zinc/33/85/34/1162338534.db2.gz UUAIRTCBKFFUAU-LJWDBELGSA-N 1 2 298.314 1.549 20 5 CDBDLO Nc1cc(CNc2cc([N+](=O)[O-])c3nccn3c2)cc[nH+]1 ZINC001167617476 1159160576 /nfs/dbraw/zinc/16/05/76/1159160576.db2.gz OECYHWIJMFKIEM-UHFFFAOYSA-N 1 2 284.279 1.832 20 5 CDBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)(CO)CC2)cs1 ZINC000877798049 697790024 /nfs/dbraw/zinc/79/00/24/697790024.db2.gz WCXMZUKOCLYHJO-UHFFFAOYSA-N 1 2 286.353 1.223 20 5 CDBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929953069 698024335 /nfs/dbraw/zinc/02/43/35/698024335.db2.gz LCGQNEIEJYNZMF-LBPRGKRZSA-N 1 2 296.302 1.298 20 5 CDBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929953069 698024340 /nfs/dbraw/zinc/02/43/40/698024340.db2.gz LCGQNEIEJYNZMF-LBPRGKRZSA-N 1 2 296.302 1.298 20 5 CDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000784517785 698387779 /nfs/dbraw/zinc/38/77/79/698387779.db2.gz OEGBXBNADDJNEC-UHFFFAOYSA-N 1 2 291.267 1.016 20 5 CDBDLO C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000780563660 698780084 /nfs/dbraw/zinc/78/00/84/698780084.db2.gz UHMXLAIRHRMGLJ-VIFPVBQESA-N 1 2 279.296 1.077 20 5 CDBDLO C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000780563660 698780090 /nfs/dbraw/zinc/78/00/90/698780090.db2.gz UHMXLAIRHRMGLJ-VIFPVBQESA-N 1 2 279.296 1.077 20 5 CDBDLO CC[C@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCCO1 ZINC000799164592 848183972 /nfs/dbraw/zinc/18/39/72/848183972.db2.gz SVIVBQPOQSFMCX-LBPRGKRZSA-N 1 2 282.344 1.867 20 5 CDBDLO CC[C@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCCO1 ZINC000799164592 848183993 /nfs/dbraw/zinc/18/39/93/848183993.db2.gz SVIVBQPOQSFMCX-LBPRGKRZSA-N 1 2 282.344 1.867 20 5 CDBDLO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509882 848201023 /nfs/dbraw/zinc/20/10/23/848201023.db2.gz WFMAHJRCDZIOOB-AAEUAGOBSA-N 1 2 280.328 1.701 20 5 CDBDLO Cc1nn(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509882 848201027 /nfs/dbraw/zinc/20/10/27/848201027.db2.gz WFMAHJRCDZIOOB-AAEUAGOBSA-N 1 2 280.328 1.701 20 5 CDBDLO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597414 849571616 /nfs/dbraw/zinc/57/16/16/849571616.db2.gz LFYKCLCWSOSTQL-AWEZNQCLSA-N 1 2 293.367 1.654 20 5 CDBDLO CN1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597414 849571619 /nfs/dbraw/zinc/57/16/19/849571619.db2.gz LFYKCLCWSOSTQL-AWEZNQCLSA-N 1 2 293.367 1.654 20 5 CDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133992742 849748778 /nfs/dbraw/zinc/74/87/78/849748778.db2.gz FTKKBAWTRMFLHI-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133992742 849748787 /nfs/dbraw/zinc/74/87/87/849748787.db2.gz FTKKBAWTRMFLHI-NSHDSACASA-N 1 2 297.742 1.959 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931997624 850150877 /nfs/dbraw/zinc/15/08/77/850150877.db2.gz LPIRDUIQHZEXHG-JTQLQIEISA-N 1 2 294.307 1.495 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000931997624 850150882 /nfs/dbraw/zinc/15/08/82/850150882.db2.gz LPIRDUIQHZEXHG-JTQLQIEISA-N 1 2 294.307 1.495 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC(F)(F)CC[C@H]2CO)C1 ZINC001169007430 927612342 /nfs/dbraw/zinc/61/23/42/927612342.db2.gz NRQVWISQGTXINE-MXWKQRLJSA-N 1 2 278.299 1.524 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC(F)(F)CC[C@H]2CO)C1 ZINC001169007430 927612344 /nfs/dbraw/zinc/61/23/44/927612344.db2.gz NRQVWISQGTXINE-MXWKQRLJSA-N 1 2 278.299 1.524 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2Cc3ncsc3C2)C1 ZINC001169042137 927656340 /nfs/dbraw/zinc/65/63/40/927656340.db2.gz DBLAQCPLQYDUKW-DTWKUNHWSA-N 1 2 253.327 1.904 20 5 CDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3ncsc3C2)C1 ZINC001169042137 927656344 /nfs/dbraw/zinc/65/63/44/927656344.db2.gz DBLAQCPLQYDUKW-DTWKUNHWSA-N 1 2 253.327 1.904 20 5 CDBDLO CCOCC[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326467498 932244171 /nfs/dbraw/zinc/24/41/71/932244171.db2.gz XQTPFNVVETWKPF-AWEZNQCLSA-N 1 2 280.324 1.698 20 5 CDBDLO CCOCC[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326467498 932244178 /nfs/dbraw/zinc/24/41/78/932244178.db2.gz XQTPFNVVETWKPF-AWEZNQCLSA-N 1 2 280.324 1.698 20 5 CDBDLO Nc1cc(NCCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC001158145998 938587056 /nfs/dbraw/zinc/58/70/56/938587056.db2.gz VMSYMIDABUGWCW-UHFFFAOYSA-N 1 2 298.306 1.874 20 5 CDBDLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001164488279 939478248 /nfs/dbraw/zinc/47/82/48/939478248.db2.gz CGOVWQDMSJPLLF-UHFFFAOYSA-N 1 2 272.255 1.343 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1[N+](=O)[O-] ZINC001206140341 939985756 /nfs/dbraw/zinc/98/57/56/939985756.db2.gz QWNCHLZSTNRXQF-UHFFFAOYSA-N 1 2 276.252 1.539 20 5 CDBDLO C[N@@H+]1CCO[C@H](COc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001247 942254943 /nfs/dbraw/zinc/25/49/43/942254943.db2.gz UMLFIVCYPQMXBK-VIFPVBQESA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@H](COc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001247 942254950 /nfs/dbraw/zinc/25/49/50/942254950.db2.gz UMLFIVCYPQMXBK-VIFPVBQESA-N 1 2 286.715 1.958 20 5 CDBDLO COC1C[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550594 947522487 /nfs/dbraw/zinc/52/24/87/947522487.db2.gz MRTHLUGGQPFNPB-JTQLQIEISA-N 1 2 250.298 1.856 20 5 CDBDLO CC(C)(NC(=O)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001328543860 955336828 /nfs/dbraw/zinc/33/68/28/955336828.db2.gz RXQOZGVOECDVSM-UHFFFAOYSA-N 1 2 288.307 1.912 20 5 CDBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000601191767 342488465 /nfs/dbraw/zinc/48/84/65/342488465.db2.gz NKOYBEOQGCAGPW-MRVPVSSYSA-N 1 2 262.273 1.774 20 5 CDBDLO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000285895277 342004561 /nfs/dbraw/zinc/00/45/61/342004561.db2.gz CQPUWFBQXUHRQM-UWVGGRQHSA-N 1 2 279.296 1.300 20 5 CDBDLO CC[C@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000616487722 342110943 /nfs/dbraw/zinc/11/09/43/342110943.db2.gz QIRJRJBPECPZJW-ZDUSSCGKSA-N 1 2 266.297 1.959 20 5 CDBDLO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000058848617 342153652 /nfs/dbraw/zinc/15/36/52/342153652.db2.gz BSETVOPWAWMMLU-UHFFFAOYSA-N 1 2 283.353 1.824 20 5 CDBDLO Cc1ccnc(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000070496113 361983336 /nfs/dbraw/zinc/98/33/36/361983336.db2.gz OXMSXYIUWCMYHG-SNVBAGLBSA-N 1 2 261.285 1.995 20 5 CDBDLO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000595289948 343024370 /nfs/dbraw/zinc/02/43/70/343024370.db2.gz RPSVMHBBMDIYJY-CYBMUJFWSA-N 1 2 277.324 1.647 20 5 CDBDLO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000595289948 343024372 /nfs/dbraw/zinc/02/43/72/343024372.db2.gz RPSVMHBBMDIYJY-CYBMUJFWSA-N 1 2 277.324 1.647 20 5 CDBDLO Cc1noc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595430183 343058490 /nfs/dbraw/zinc/05/84/90/343058490.db2.gz LPMXNGMDHOKZIW-LLVKDONJSA-N 1 2 295.270 1.854 20 5 CDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595406224 343049716 /nfs/dbraw/zinc/04/97/16/343049716.db2.gz BIZZLYRNWJFTPF-UHFFFAOYSA-N 1 2 298.318 1.437 20 5 CDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595406224 343049719 /nfs/dbraw/zinc/04/97/19/343049719.db2.gz BIZZLYRNWJFTPF-UHFFFAOYSA-N 1 2 298.318 1.437 20 5 CDBDLO COCC[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596063635 343223743 /nfs/dbraw/zinc/22/37/43/343223743.db2.gz XNBCNDNAUWCHKX-UHFFFAOYSA-N 1 2 285.369 1.733 20 5 CDBDLO CN(CCCn1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596166620 343257534 /nfs/dbraw/zinc/25/75/34/343257534.db2.gz WVDPJKOJMXUILY-UHFFFAOYSA-N 1 2 276.300 1.295 20 5 CDBDLO O=[N+]([O-])c1ncccc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596247913 343273751 /nfs/dbraw/zinc/27/37/51/343273751.db2.gz SFOWEPBBFQACMT-GFCCVEGCSA-N 1 2 292.339 1.291 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1[nH+]ccn1C ZINC000598459003 343804456 /nfs/dbraw/zinc/80/44/56/343804456.db2.gz BVVJBAKXGDIKAU-SSDOTTSWSA-N 1 2 263.257 1.147 20 5 CDBDLO CC(C)C(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000042979203 343834937 /nfs/dbraw/zinc/83/49/37/343834937.db2.gz KKRGCJKTXSFTNP-UHFFFAOYSA-N 1 2 291.351 1.895 20 5 CDBDLO Cc1c(C[N@H+](C)CC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000051589264 344781670 /nfs/dbraw/zinc/78/16/70/344781670.db2.gz AKHCFBHFRCZWPE-UHFFFAOYSA-N 1 2 277.324 1.614 20 5 CDBDLO Cc1c(C[N@@H+](C)CC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000051589264 344781672 /nfs/dbraw/zinc/78/16/72/344781672.db2.gz AKHCFBHFRCZWPE-UHFFFAOYSA-N 1 2 277.324 1.614 20 5 CDBDLO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000028799480 345256681 /nfs/dbraw/zinc/25/66/81/345256681.db2.gz MQKQGSIRCNPLDC-WCQYABFASA-N 1 2 296.323 1.055 20 5 CDBDLO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000028799480 345256684 /nfs/dbraw/zinc/25/66/84/345256684.db2.gz MQKQGSIRCNPLDC-WCQYABFASA-N 1 2 296.323 1.055 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000266063762 362712301 /nfs/dbraw/zinc/71/23/01/362712301.db2.gz CVGSWCIBHHZYDQ-UHFFFAOYSA-N 1 2 288.307 1.909 20 5 CDBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000092026961 180308480 /nfs/dbraw/zinc/30/84/80/180308480.db2.gz CFDVZJPUOQDAMF-JTQLQIEISA-N 1 2 261.285 1.995 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000619693854 350835274 /nfs/dbraw/zinc/83/52/74/350835274.db2.gz JHWCEQZWKDKQEY-SNVBAGLBSA-N 1 2 298.368 1.352 20 5 CDBDLO Cn1nncc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154276834 188133784 /nfs/dbraw/zinc/13/37/84/188133784.db2.gz SRJXKDIKRDHEGS-UHFFFAOYSA-N 1 2 287.323 1.888 20 5 CDBDLO Cn1nncc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154276834 188133786 /nfs/dbraw/zinc/13/37/86/188133786.db2.gz SRJXKDIKRDHEGS-UHFFFAOYSA-N 1 2 287.323 1.888 20 5 CDBDLO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262231945 357556136 /nfs/dbraw/zinc/55/61/36/357556136.db2.gz QMUXIRCRTDMWRM-JTQLQIEISA-N 1 2 293.323 1.372 20 5 CDBDLO CCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000135252123 357815729 /nfs/dbraw/zinc/81/57/29/357815729.db2.gz NVQSVWCOCNZHBA-LLVKDONJSA-N 1 2 284.316 1.113 20 5 CDBDLO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159191169 358803616 /nfs/dbraw/zinc/80/36/16/358803616.db2.gz AENXTYSAFASQLB-UHFFFAOYSA-N 1 2 295.339 1.618 20 5 CDBDLO CN1CCC[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000538708635 358892799 /nfs/dbraw/zinc/89/27/99/358892799.db2.gz AKMAYAJUQLASOM-CQSZACIVSA-N 1 2 289.335 1.574 20 5 CDBDLO CN1CCC[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000538708635 358892802 /nfs/dbraw/zinc/89/28/02/358892802.db2.gz AKMAYAJUQLASOM-CQSZACIVSA-N 1 2 289.335 1.574 20 5 CDBDLO C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000298310556 200391497 /nfs/dbraw/zinc/39/14/97/200391497.db2.gz PCGGKJGGTUTJTQ-NSHDSACASA-N 1 2 265.313 1.727 20 5 CDBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345632362 361280509 /nfs/dbraw/zinc/28/05/09/361280509.db2.gz LSPORUOEQJSWIC-UHFFFAOYSA-N 1 2 297.274 1.796 20 5 CDBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345632362 361280511 /nfs/dbraw/zinc/28/05/11/361280511.db2.gz LSPORUOEQJSWIC-UHFFFAOYSA-N 1 2 297.274 1.796 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000129672982 361382000 /nfs/dbraw/zinc/38/20/00/361382000.db2.gz XJWNHXZJHWDUKU-ZYHUDNBSSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000129672982 361382003 /nfs/dbraw/zinc/38/20/03/361382003.db2.gz XJWNHXZJHWDUKU-ZYHUDNBSSA-N 1 2 266.297 1.176 20 5 CDBDLO Cc1[nH]nc(C(=O)Nc2ccc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000268007547 364049360 /nfs/dbraw/zinc/04/93/60/364049360.db2.gz PUYVAYWQLIWTSZ-UHFFFAOYSA-N 1 2 275.268 1.890 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000271204377 366984096 /nfs/dbraw/zinc/98/40/96/366984096.db2.gz XNYSWYZYLDTWMT-VIFPVBQESA-N 1 2 290.283 1.397 20 5 CDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774693 369048233 /nfs/dbraw/zinc/04/82/33/369048233.db2.gz FGDQXNNHCHAGPR-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774693 369048239 /nfs/dbraw/zinc/04/82/39/369048239.db2.gz FGDQXNNHCHAGPR-NSHDSACASA-N 1 2 293.323 1.644 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296394071 371740818 /nfs/dbraw/zinc/74/08/18/371740818.db2.gz YZQNMCQGWHTJOB-MNOVXSKESA-N 1 2 277.324 1.785 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296394071 371740820 /nfs/dbraw/zinc/74/08/20/371740820.db2.gz YZQNMCQGWHTJOB-MNOVXSKESA-N 1 2 277.324 1.785 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269593606 373022262 /nfs/dbraw/zinc/02/22/62/373022262.db2.gz FDUJRPZSCAYWPT-UHFFFAOYSA-N 1 2 288.307 1.794 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369422553 374352833 /nfs/dbraw/zinc/35/28/33/374352833.db2.gz YCNBOGXBSLFDIA-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369422553 374352835 /nfs/dbraw/zinc/35/28/35/374352835.db2.gz YCNBOGXBSLFDIA-VIFPVBQESA-N 1 2 281.287 1.444 20 5 CDBDLO Cc1c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000282123485 375068002 /nfs/dbraw/zinc/06/80/02/375068002.db2.gz JQADSUZHYJWYLO-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1c(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000282123485 375068006 /nfs/dbraw/zinc/06/80/06/375068006.db2.gz JQADSUZHYJWYLO-GFCCVEGCSA-N 1 2 298.364 1.522 20 5 CDBDLO CN(CC[NH+]1CCOCC1)c1sccc1[N+](=O)[O-] ZINC000302011588 375160216 /nfs/dbraw/zinc/16/02/16/375160216.db2.gz YSNXREPTXDQBQT-UHFFFAOYSA-N 1 2 271.342 1.425 20 5 CDBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)nc1 ZINC000354392463 375704989 /nfs/dbraw/zinc/70/49/89/375704989.db2.gz PKZSOEUUTAWLLK-UHFFFAOYSA-N 1 2 269.264 1.672 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355089580 375774749 /nfs/dbraw/zinc/77/47/49/375774749.db2.gz QOBQHBDZFOGPNY-LLVKDONJSA-N 1 2 293.323 1.045 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355089580 375774756 /nfs/dbraw/zinc/77/47/56/375774756.db2.gz QOBQHBDZFOGPNY-LLVKDONJSA-N 1 2 293.323 1.045 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000175065129 379631186 /nfs/dbraw/zinc/63/11/86/379631186.db2.gz LIRIILHYTVKSRB-LBPRGKRZSA-N 1 2 293.323 1.443 20 5 CDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000175065129 379631193 /nfs/dbraw/zinc/63/11/93/379631193.db2.gz LIRIILHYTVKSRB-LBPRGKRZSA-N 1 2 293.323 1.443 20 5 CDBDLO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286084367 390191716 /nfs/dbraw/zinc/19/17/16/390191716.db2.gz MUJQMJWDJZSBQR-KKFJDGPESA-N 1 2 293.323 1.417 20 5 CDBDLO Cn1c[nH+]cc1CCCn1cc([N+](=O)[O-])ccc1=O ZINC000574413063 391154423 /nfs/dbraw/zinc/15/44/23/391154423.db2.gz FXKYRUHIHPYQMW-UHFFFAOYSA-N 1 2 262.269 1.123 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000413265439 391188979 /nfs/dbraw/zinc/18/89/79/391188979.db2.gz LFTPZFKZRWAWBW-JTQLQIEISA-N 1 2 298.318 1.286 20 5 CDBDLO C[C@H](CC(=O)N(C)c1ccc([N+](=O)[O-])nc1)n1cc[nH+]c1 ZINC000573925021 391615644 /nfs/dbraw/zinc/61/56/44/391615644.db2.gz MAEDSMOZVFJAGI-SNVBAGLBSA-N 1 2 289.295 1.800 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000190300650 130086352 /nfs/dbraw/zinc/08/63/52/130086352.db2.gz RBTFLHQOLQOFAV-UHFFFAOYSA-N 1 2 291.336 1.773 20 5 CDBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449645456 393137451 /nfs/dbraw/zinc/13/74/51/393137451.db2.gz KAWPSTMLCMMBKG-SNVBAGLBSA-N 1 2 299.277 1.569 20 5 CDBDLO COc1cc[nH+]c(Cn2cc([N+](=O)[O-])cn2)c1OC ZINC000191070325 140134179 /nfs/dbraw/zinc/13/41/79/140134179.db2.gz OEBLJEITTYDURP-UHFFFAOYSA-N 1 2 264.241 1.252 20 5 CDBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000349561955 154140487 /nfs/dbraw/zinc/14/04/87/154140487.db2.gz CNSJENSLZHQWKB-UHFFFAOYSA-N 1 2 288.311 1.281 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000355272020 156950017 /nfs/dbraw/zinc/95/00/17/156950017.db2.gz UQERGSSHFLHRJF-UHFFFAOYSA-N 1 2 288.307 1.577 20 5 CDBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000519073768 265310911 /nfs/dbraw/zinc/31/09/11/265310911.db2.gz CLTHGEJWDJBZQN-UHFFFAOYSA-N 1 2 289.295 1.647 20 5 CDBDLO CCc1nn(C)c(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091560859 279286942 /nfs/dbraw/zinc/28/69/42/279286942.db2.gz FZUZNKBLUAKAEO-UHFFFAOYSA-N 1 2 292.343 1.980 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1c[nH+]cn1C ZINC000517842854 281012070 /nfs/dbraw/zinc/01/20/70/281012070.db2.gz JFFYSFLQEZPFPS-UHFFFAOYSA-N 1 2 288.307 1.609 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255723980 289384580 /nfs/dbraw/zinc/38/45/80/289384580.db2.gz YMTKGUHMDVEMRP-RJNRQISESA-N 1 2 275.308 1.558 20 5 CDBDLO NC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255723980 289384583 /nfs/dbraw/zinc/38/45/83/289384583.db2.gz YMTKGUHMDVEMRP-RJNRQISESA-N 1 2 275.308 1.558 20 5 CDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000555140223 290205112 /nfs/dbraw/zinc/20/51/12/290205112.db2.gz RVRZJKFFOLSGFU-UHFFFAOYSA-N 1 2 296.308 1.681 20 5 CDBDLO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000557048390 290325148 /nfs/dbraw/zinc/32/51/48/290325148.db2.gz YQVDVTQIBAPELF-ZCFIWIBFSA-N 1 2 266.282 1.870 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000561984088 293108855 /nfs/dbraw/zinc/10/88/55/293108855.db2.gz VRTFXKJWYYYJQU-SWLSCSKDSA-N 1 2 294.351 1.875 20 5 CDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000561984088 293108857 /nfs/dbraw/zinc/10/88/57/293108857.db2.gz VRTFXKJWYYYJQU-SWLSCSKDSA-N 1 2 294.351 1.875 20 5 CDBDLO CCOc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338586208 520698586 /nfs/dbraw/zinc/69/85/86/520698586.db2.gz ADTOUDXUNXNXGK-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO CCOc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338586208 520698590 /nfs/dbraw/zinc/69/85/90/520698590.db2.gz ADTOUDXUNXNXGK-AWEZNQCLSA-N 1 2 298.314 1.900 20 5 CDBDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]1 ZINC000340698761 522204610 /nfs/dbraw/zinc/20/46/10/522204610.db2.gz ZCUSJAFRJBRSLN-UHFFFAOYSA-N 1 2 289.295 1.314 20 5 CDBDLO COCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000732799393 575096938 /nfs/dbraw/zinc/09/69/38/575096938.db2.gz SLLURQMMNSYOPI-UHFFFAOYSA-N 1 2 254.290 1.107 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)OCCn1cc[nH+]c1 ZINC000763113185 576713866 /nfs/dbraw/zinc/71/38/66/576713866.db2.gz VWNOEQZXIPDEAY-UHFFFAOYSA-N 1 2 275.264 1.957 20 5 CDBDLO COc1c(O)ccc(C[NH2+]C2(C)COC2)c1[N+](=O)[O-] ZINC000895758908 619831030 /nfs/dbraw/zinc/83/10/30/619831030.db2.gz PCOSNTGJWUOEOM-UHFFFAOYSA-N 1 2 268.269 1.188 20 5 CDBDLO Cn1c(C[NH2+]CC[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000905220135 626698568 /nfs/dbraw/zinc/69/85/68/626698568.db2.gz PRKMKTOZOCHFRB-UHFFFAOYSA-N 1 2 268.704 1.593 20 5 CDBDLO Cn1ccnc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776594014 705461815 /nfs/dbraw/zinc/46/18/15/705461815.db2.gz QZIISYWMXNFMMC-ZDUSSCGKSA-N 1 2 290.323 1.494 20 5 CDBDLO Cn1ccnc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776594014 705461817 /nfs/dbraw/zinc/46/18/17/705461817.db2.gz QZIISYWMXNFMMC-ZDUSSCGKSA-N 1 2 290.323 1.494 20 5 CDBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840283100 705566287 /nfs/dbraw/zinc/56/62/87/705566287.db2.gz SAMUYEBDNOKJOW-GMTAPVOTSA-N 1 2 280.328 1.079 20 5 CDBDLO COc1cccc(N2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000791053382 710255105 /nfs/dbraw/zinc/25/51/05/710255105.db2.gz LNRWOZFQRZEHPV-UHFFFAOYSA-N 1 2 265.313 1.094 20 5 CDBDLO C[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N+](=O)[O-] ZINC000813102786 710857442 /nfs/dbraw/zinc/85/74/42/710857442.db2.gz VNWUYFICVURCKR-JTQLQIEISA-N 1 2 275.264 1.694 20 5 CDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000793251821 711679864 /nfs/dbraw/zinc/67/98/64/711679864.db2.gz IRSAWICZGFLVRJ-UHFFFAOYSA-N 1 2 290.279 1.310 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800848877 711818824 /nfs/dbraw/zinc/81/88/24/711818824.db2.gz JLRUBPMFGACSEC-SNVBAGLBSA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800848877 711818825 /nfs/dbraw/zinc/81/88/25/711818825.db2.gz JLRUBPMFGACSEC-SNVBAGLBSA-N 1 2 280.328 1.310 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](CO)CC(F)(F)C2)C1 ZINC001169010914 927617818 /nfs/dbraw/zinc/61/78/18/927617818.db2.gz GCTRNCLEOTTZKM-VWYCJHECSA-N 1 2 278.299 1.381 20 5 CDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H](CO)CC(F)(F)C2)C1 ZINC001169010914 927617825 /nfs/dbraw/zinc/61/78/25/927617825.db2.gz GCTRNCLEOTTZKM-VWYCJHECSA-N 1 2 278.299 1.381 20 5 CDBDLO CC(=O)NCCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116487186 937451213 /nfs/dbraw/zinc/45/12/13/937451213.db2.gz VYJAQMGHDLVGPH-UHFFFAOYSA-N 1 2 263.297 1.437 20 5 CDBDLO CC(=O)NCCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116487186 937451215 /nfs/dbraw/zinc/45/12/15/937451215.db2.gz VYJAQMGHDLVGPH-UHFFFAOYSA-N 1 2 263.297 1.437 20 5 CDBDLO Cc1c(CNC(=O)[C@@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001116763645 937470289 /nfs/dbraw/zinc/47/02/89/937470289.db2.gz HUYCIXCYCLJYGO-LLVKDONJSA-N 1 2 288.307 1.977 20 5 CDBDLO C[N@@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001162688696 939118131 /nfs/dbraw/zinc/11/81/31/939118131.db2.gz SHVPMQQBAJMBRZ-SNVBAGLBSA-N 1 2 285.731 1.991 20 5 CDBDLO C[N@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001162688696 939118134 /nfs/dbraw/zinc/11/81/34/939118134.db2.gz SHVPMQQBAJMBRZ-SNVBAGLBSA-N 1 2 285.731 1.991 20 5 CDBDLO CC[NH+]1CC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227740968 942215985 /nfs/dbraw/zinc/21/59/85/942215985.db2.gz FFMKFYHAWGHBDP-UHFFFAOYSA-N 1 2 262.269 1.554 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015368 942258573 /nfs/dbraw/zinc/25/85/73/942258573.db2.gz CPYBAOIJWLIHDR-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015368 942258576 /nfs/dbraw/zinc/25/85/76/942258576.db2.gz CPYBAOIJWLIHDR-SECBINFHSA-N 1 2 288.250 1.582 20 5 CDBDLO C[N@@H+]1CCO[C@@H](COc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378831 942460698 /nfs/dbraw/zinc/46/06/98/942460698.db2.gz ABVIMWHJCRSQIJ-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO C[N@H+]1CCO[C@@H](COc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378831 942460699 /nfs/dbraw/zinc/46/06/99/942460699.db2.gz ABVIMWHJCRSQIJ-SNVBAGLBSA-N 1 2 286.715 1.958 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC001230477065 942620804 /nfs/dbraw/zinc/62/08/04/942620804.db2.gz IQJBAYCLQUNFLV-ZDUSSCGKSA-N 1 2 280.324 1.921 20 5 CDBDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC001230477065 942620810 /nfs/dbraw/zinc/62/08/10/942620810.db2.gz IQJBAYCLQUNFLV-ZDUSSCGKSA-N 1 2 280.324 1.921 20 5 CDBDLO O=[N+]([O-])CCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247521350 948661794 /nfs/dbraw/zinc/66/17/94/948661794.db2.gz OJYBRGZHZRKQCO-UHFFFAOYSA-N 1 2 285.263 1.742 20 5 CDBDLO O=C(CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001326787570 954549915 /nfs/dbraw/zinc/54/99/15/954549915.db2.gz RKZHYOHLOSTNMD-UHFFFAOYSA-N 1 2 289.335 1.923 20 5 CDBDLO O=C(CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001326787570 954549904 /nfs/dbraw/zinc/54/99/04/954549904.db2.gz RKZHYOHLOSTNMD-UHFFFAOYSA-N 1 2 289.335 1.923 20 5 CDBDLO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001333697872 958524828 /nfs/dbraw/zinc/52/48/28/958524828.db2.gz RRGXUNUXYNVGJM-JTQLQIEISA-N 1 2 276.300 1.366 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001334031084 958782169 /nfs/dbraw/zinc/78/21/69/958782169.db2.gz BROTXNPJQXDONB-SNVBAGLBSA-N 1 2 287.266 1.439 20 5 CDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001334031084 958782187 /nfs/dbraw/zinc/78/21/87/958782187.db2.gz BROTXNPJQXDONB-SNVBAGLBSA-N 1 2 287.266 1.439 20 5 CDBDLO CCOC(=O)CC[N@H+](CC[N+](=O)[O-])Cc1cccnc1 ZINC001335733956 959996744 /nfs/dbraw/zinc/99/67/44/959996744.db2.gz OHJYNMDZOGEEMF-UHFFFAOYSA-N 1 2 281.312 1.114 20 5 CDBDLO CCOC(=O)CC[N@@H+](CC[N+](=O)[O-])Cc1cccnc1 ZINC001335733956 959996754 /nfs/dbraw/zinc/99/67/54/959996754.db2.gz OHJYNMDZOGEEMF-UHFFFAOYSA-N 1 2 281.312 1.114 20 5 CDBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001341265145 963343188 /nfs/dbraw/zinc/34/31/88/963343188.db2.gz HRXSVDCXUBTJCO-QMMMGPOBSA-N 1 2 256.224 1.306 20 5 CDBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001341265145 963343202 /nfs/dbraw/zinc/34/32/02/963343202.db2.gz HRXSVDCXUBTJCO-QMMMGPOBSA-N 1 2 256.224 1.306 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590377581 342540968 /nfs/dbraw/zinc/54/09/68/342540968.db2.gz JTTGJYQLDGEGOI-UHFFFAOYSA-N 1 2 286.291 1.445 20 5 CDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590377581 342540969 /nfs/dbraw/zinc/54/09/69/342540969.db2.gz JTTGJYQLDGEGOI-UHFFFAOYSA-N 1 2 286.291 1.445 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590379222 342541140 /nfs/dbraw/zinc/54/11/40/342541140.db2.gz MUWOGUMCGSIKEL-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590379222 342541141 /nfs/dbraw/zinc/54/11/41/342541141.db2.gz MUWOGUMCGSIKEL-UHFFFAOYSA-N 1 2 286.291 1.825 20 5 CDBDLO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140771288 342071658 /nfs/dbraw/zinc/07/16/58/342071658.db2.gz VQFDQRGQUVWVQC-SECBINFHSA-N 1 2 290.279 1.574 20 5 CDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1[NH3+] ZINC000592331745 342685451 /nfs/dbraw/zinc/68/54/51/342685451.db2.gz PEIUIGNVFKULBM-KOLCDFICSA-N 1 2 293.323 1.500 20 5 CDBDLO CCC[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000048231525 361840467 /nfs/dbraw/zinc/84/04/67/361840467.db2.gz BCLDQXXMOVJIPJ-UHFFFAOYSA-N 1 2 266.297 1.980 20 5 CDBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000048231525 361840474 /nfs/dbraw/zinc/84/04/74/361840474.db2.gz BCLDQXXMOVJIPJ-UHFFFAOYSA-N 1 2 266.297 1.980 20 5 CDBDLO C[C@H](O)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000594067199 342870133 /nfs/dbraw/zinc/87/01/33/342870133.db2.gz ZPLXXMBNCFRADC-VIFPVBQESA-N 1 2 266.297 1.646 20 5 CDBDLO C[C@H](O)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000594067199 342870135 /nfs/dbraw/zinc/87/01/35/342870135.db2.gz ZPLXXMBNCFRADC-VIFPVBQESA-N 1 2 266.297 1.646 20 5 CDBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1n[nH]c(=O)o1 ZINC000595545972 343083898 /nfs/dbraw/zinc/08/38/98/343083898.db2.gz CBUZZKSRTPPKEZ-UHFFFAOYSA-N 1 2 278.268 1.358 20 5 CDBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1n[nH]c(=O)o1 ZINC000595545972 343083899 /nfs/dbraw/zinc/08/38/99/343083899.db2.gz CBUZZKSRTPPKEZ-UHFFFAOYSA-N 1 2 278.268 1.358 20 5 CDBDLO Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000595523301 343088930 /nfs/dbraw/zinc/08/89/30/343088930.db2.gz QXFNQZLBDDKYMV-ZJUUUORDSA-N 1 2 281.312 1.748 20 5 CDBDLO Cc1noc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000595523301 343088931 /nfs/dbraw/zinc/08/89/31/343088931.db2.gz QXFNQZLBDDKYMV-ZJUUUORDSA-N 1 2 281.312 1.748 20 5 CDBDLO Cc1cnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078660049 342339334 /nfs/dbraw/zinc/33/93/34/342339334.db2.gz XQSWOKDTWBPVDP-NWDGAFQWSA-N 1 2 294.355 1.819 20 5 CDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc[nH+]c1N ZINC000596252234 343274773 /nfs/dbraw/zinc/27/47/73/343274773.db2.gz APFUSZBAAWYTFT-UHFFFAOYSA-N 1 2 276.300 1.709 20 5 CDBDLO Cn1cc[nH+]c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606396 342386849 /nfs/dbraw/zinc/38/68/49/342386849.db2.gz NLESHQLTNMMBNU-UHFFFAOYSA-N 1 2 272.308 1.887 20 5 CDBDLO COC[C@@](C)(CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000602930762 344661966 /nfs/dbraw/zinc/66/19/66/344661966.db2.gz DCQGXVBVFQKPNM-GFCCVEGCSA-N 1 2 290.266 1.360 20 5 CDBDLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000053149545 345663247 /nfs/dbraw/zinc/66/32/47/345663247.db2.gz HVANFUKUYBVGFK-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000053149545 345663249 /nfs/dbraw/zinc/66/32/49/345663249.db2.gz HVANFUKUYBVGFK-UHFFFAOYSA-N 1 2 277.324 1.649 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(F)c1 ZINC000614420474 348106909 /nfs/dbraw/zinc/10/69/09/348106909.db2.gz VVDRTIZPJPDDCJ-GFCCVEGCSA-N 1 2 291.286 1.772 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(F)c1 ZINC000614420474 348106912 /nfs/dbraw/zinc/10/69/12/348106912.db2.gz VVDRTIZPJPDDCJ-GFCCVEGCSA-N 1 2 291.286 1.772 20 5 CDBDLO Cn1cc[nH+]c1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000074392704 349216207 /nfs/dbraw/zinc/21/62/07/349216207.db2.gz AKWWBCRLEJPXDQ-UHFFFAOYSA-N 1 2 286.247 1.125 20 5 CDBDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271614502 191239452 /nfs/dbraw/zinc/23/94/52/191239452.db2.gz VRTPKWOLLQOKRY-SNVBAGLBSA-N 1 2 265.269 1.333 20 5 CDBDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271614502 191239462 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O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193664890 358314013 /nfs/dbraw/zinc/31/40/13/358314013.db2.gz PXIVNBIIJPKUFU-AWEZNQCLSA-N 1 2 278.308 1.586 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193664890 358314015 /nfs/dbraw/zinc/31/40/15/358314015.db2.gz PXIVNBIIJPKUFU-AWEZNQCLSA-N 1 2 278.308 1.586 20 5 CDBDLO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C ZINC000262413829 358821116 /nfs/dbraw/zinc/82/11/16/358821116.db2.gz QUTSUXQAZOYGJK-IUCAKERBSA-N 1 2 279.296 1.123 20 5 CDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](C)[NH+]1CCOCC1 ZINC000104591006 358960177 /nfs/dbraw/zinc/96/01/77/358960177.db2.gz VAMXJGNMAHKVSL-ZJUUUORDSA-N 1 2 297.311 1.027 20 5 CDBDLO CC(=O)NCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000569600633 359251127 /nfs/dbraw/zinc/25/11/27/359251127.db2.gz HGSRAKNYLVUCJT-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CC(=O)NCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000569600633 359251134 /nfs/dbraw/zinc/25/11/34/359251134.db2.gz HGSRAKNYLVUCJT-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000129673231 361382027 /nfs/dbraw/zinc/38/20/27/361382027.db2.gz XJWNHXZJHWDUKU-CMPLNLGQSA-N 1 2 266.297 1.176 20 5 CDBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000129673231 361382028 /nfs/dbraw/zinc/38/20/28/361382028.db2.gz XJWNHXZJHWDUKU-CMPLNLGQSA-N 1 2 266.297 1.176 20 5 CDBDLO CNC(=O)N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000271200222 366983772 /nfs/dbraw/zinc/98/37/72/366983772.db2.gz WNHQBEFGJVIROB-UHFFFAOYSA-N 1 2 292.339 1.360 20 5 CDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCNC1=O ZINC000440969562 367338670 /nfs/dbraw/zinc/33/86/70/367338670.db2.gz YCOITKCWHLCPHA-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCNC1=O ZINC000440969562 367338673 /nfs/dbraw/zinc/33/86/73/367338673.db2.gz YCOITKCWHLCPHA-GFCCVEGCSA-N 1 2 293.323 1.314 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(N)=O ZINC000272320008 367677908 /nfs/dbraw/zinc/67/79/08/367677908.db2.gz KDHKJDOUQAPXRT-VIFPVBQESA-N 1 2 251.286 1.381 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(N)=O ZINC000272320008 367677914 /nfs/dbraw/zinc/67/79/14/367677914.db2.gz KDHKJDOUQAPXRT-VIFPVBQESA-N 1 2 251.286 1.381 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436546 367747429 /nfs/dbraw/zinc/74/74/29/367747429.db2.gz RFOQPGHGDZTRBH-CYBMUJFWSA-N 1 2 293.323 1.401 20 5 CDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436546 367747436 /nfs/dbraw/zinc/74/74/36/367747436.db2.gz RFOQPGHGDZTRBH-CYBMUJFWSA-N 1 2 293.323 1.401 20 5 CDBDLO CCc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000081821097 374555857 /nfs/dbraw/zinc/55/58/57/374555857.db2.gz MNIOIMVAQIRBDD-UHFFFAOYSA-N 1 2 288.307 1.784 20 5 CDBDLO COc1ccnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000424175586 246371171 /nfs/dbraw/zinc/37/11/71/246371171.db2.gz 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/nfs/dbraw/zinc/45/31/60/956453160.db2.gz NPRIDTMBUDHTGY-UHFFFAOYSA-N 1 2 288.307 1.816 20 5 CDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2nccc2C1 ZINC001307958034 956453171 /nfs/dbraw/zinc/45/31/71/956453171.db2.gz NPRIDTMBUDHTGY-UHFFFAOYSA-N 1 2 288.307 1.816 20 5 CDBDLO C[NH+](C)Cc1nnc(CCc2cccc([N+](=O)[O-])c2)o1 ZINC001341625116 963486470 /nfs/dbraw/zinc/48/64/70/963486470.db2.gz FFFLYWGBZIOLOG-UHFFFAOYSA-N 1 2 276.296 1.825 20 5 CDBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])s2)CCO1 ZINC000608779203 342037562 /nfs/dbraw/zinc/03/75/62/342037562.db2.gz XJWOEGUBLAQIHX-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])s2)CCO1 ZINC000608779203 342037563 /nfs/dbraw/zinc/03/75/63/342037563.db2.gz XJWOEGUBLAQIHX-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1O ZINC000592357240 342688271 /nfs/dbraw/zinc/68/82/71/342688271.db2.gz XXQJETTYSSVUMH-MRVPVSSYSA-N 1 2 276.252 1.775 20 5 CDBDLO C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000070262943 361874089 /nfs/dbraw/zinc/87/40/89/361874089.db2.gz JHXSNQWESHNQMI-UHFFFAOYSA-N 1 2 267.260 1.122 20 5 CDBDLO CN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312503 343033299 /nfs/dbraw/zinc/03/32/99/343033299.db2.gz YPDOEVVAIUVLRO-UHFFFAOYSA-N 1 2 297.330 1.498 20 5 CDBDLO Cc1cnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078660056 342339315 /nfs/dbraw/zinc/33/93/15/342339315.db2.gz XQSWOKDTWBPVDP-VXGBXAGGSA-N 1 2 294.355 1.819 20 5 CDBDLO O=[N+]([O-])c1cncc(Cl)c1NCC[NH+]1CCC1 ZINC000596174215 343260180 /nfs/dbraw/zinc/26/01/80/343260180.db2.gz CPYWJEGQXYEFBJ-UHFFFAOYSA-N 1 2 256.693 1.183 20 5 CDBDLO O=C(Cn1cc[nH+]c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000073180329 346223683 /nfs/dbraw/zinc/22/36/83/346223683.db2.gz QEYIRKGTYVQZRW-UHFFFAOYSA-N 1 2 289.295 1.020 20 5 CDBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ncc[nH]1 ZINC000611191068 346685761 /nfs/dbraw/zinc/68/57/61/346685761.db2.gz GDNMIYDQVFBDFH-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ncc[nH]1 ZINC000611191068 346685765 /nfs/dbraw/zinc/68/57/65/346685765.db2.gz GDNMIYDQVFBDFH-UHFFFAOYSA-N 1 2 276.296 1.829 20 5 CDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1sccc1[N+](=O)[O-] ZINC000611290039 346737238 /nfs/dbraw/zinc/73/72/38/346737238.db2.gz YFSCTUWVRZUWEZ-VIFPVBQESA-N 1 2 271.342 1.789 20 5 CDBDLO Cc1ccc([C@H](C)[NH2+]Cc2nncn2C)cc1[N+](=O)[O-] ZINC000038007680 362832798 /nfs/dbraw/zinc/83/27/98/362832798.db2.gz SBPYFUOZIJZUAL-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO COc1cc(C[N@@H+]2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000365572624 365912100 /nfs/dbraw/zinc/91/21/00/365912100.db2.gz DQVNJZMFOWBZSU-UHFFFAOYSA-N 1 2 284.287 1.965 20 5 CDBDLO COc1cc(C[N@H+]2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000365572624 365912110 /nfs/dbraw/zinc/91/21/10/365912110.db2.gz DQVNJZMFOWBZSU-UHFFFAOYSA-N 1 2 284.287 1.965 20 5 CDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C)CC1 ZINC000070249225 363193760 /nfs/dbraw/zinc/19/37/60/363193760.db2.gz ZAUBRQHYOKUVGG-UHFFFAOYSA-N 1 2 263.297 1.291 20 5 CDBDLO Cn1cc[nH+]c1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336831054 356287120 /nfs/dbraw/zinc/28/71/20/356287120.db2.gz CLRAFJAUWOEZKB-UHFFFAOYSA-N 1 2 290.308 1.945 20 5 CDBDLO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189433192 358011472 /nfs/dbraw/zinc/01/14/72/358011472.db2.gz QKHJIMCJIVBRHW-BXUZGUMPSA-N 1 2 280.324 1.831 20 5 CDBDLO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189433192 358011475 /nfs/dbraw/zinc/01/14/75/358011475.db2.gz QKHJIMCJIVBRHW-BXUZGUMPSA-N 1 2 280.324 1.831 20 5 CDBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000361370460 358171365 /nfs/dbraw/zinc/17/13/65/358171365.db2.gz AGBVVWAPNXQQPC-LLVKDONJSA-N 1 2 293.323 1.562 20 5 CDBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000361370460 358171368 /nfs/dbraw/zinc/17/13/68/358171368.db2.gz AGBVVWAPNXQQPC-LLVKDONJSA-N 1 2 293.323 1.562 20 5 CDBDLO Cc1nn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000567628247 358709828 /nfs/dbraw/zinc/70/98/28/358709828.db2.gz NHFMIVKUMSOJPT-AOOOYVTPSA-N 1 2 282.344 1.517 20 5 CDBDLO Cc1nn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000567628247 358709830 /nfs/dbraw/zinc/70/98/30/358709830.db2.gz NHFMIVKUMSOJPT-AOOOYVTPSA-N 1 2 282.344 1.517 20 5 CDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000103468616 358924515 /nfs/dbraw/zinc/92/45/15/358924515.db2.gz ONYMDSKENQLCIE-JTQLQIEISA-N 1 2 295.364 1.971 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CO)C1 ZINC000267333979 359907426 /nfs/dbraw/zinc/90/74/26/359907426.db2.gz ALSUZLKZCZZSHG-WDEREUQCSA-N 1 2 266.297 1.349 20 5 CDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CO)C1 ZINC000267333979 359907428 /nfs/dbraw/zinc/90/74/28/359907428.db2.gz ALSUZLKZCZZSHG-WDEREUQCSA-N 1 2 266.297 1.349 20 5 CDBDLO Cn1c(Cl)cnc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000179869763 189225242 /nfs/dbraw/zinc/22/52/42/189225242.db2.gz QDDPKRPIXPVVSI-UHFFFAOYSA-N 1 2 298.734 1.310 20 5 CDBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000179869763 189225243 /nfs/dbraw/zinc/22/52/43/189225243.db2.gz QDDPKRPIXPVVSI-UHFFFAOYSA-N 1 2 298.734 1.310 20 5 CDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000368859397 296073563 /nfs/dbraw/zinc/07/35/63/296073563.db2.gz NTBRDTNPNLKYIR-OPRDCNLKSA-N 1 2 264.285 1.129 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CO)CCSCC1 ZINC000459727688 366933704 /nfs/dbraw/zinc/93/37/04/366933704.db2.gz NACANOWYBCXHDR-UHFFFAOYSA-N 1 2 298.364 1.648 20 5 CDBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1n[nH]cc1[N+](=O)[O-] ZINC000135888811 369756352 /nfs/dbraw/zinc/75/63/52/369756352.db2.gz PUKKLIIHGUSHDZ-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO C[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669423 369786052 /nfs/dbraw/zinc/78/60/52/369786052.db2.gz SZDWVCREBUEZON-UHFFFAOYSA-N 1 2 267.260 1.122 20 5 CDBDLO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346632 370246414 /nfs/dbraw/zinc/24/64/14/370246414.db2.gz TWTBXPXYTBOIOH-NSHDSACASA-N 1 2 279.340 1.941 20 5 CDBDLO CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346632 370246420 /nfs/dbraw/zinc/24/64/20/370246420.db2.gz TWTBXPXYTBOIOH-NSHDSACASA-N 1 2 279.340 1.941 20 5 CDBDLO COC(=O)[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367965823 371212879 /nfs/dbraw/zinc/21/28/79/371212879.db2.gz VYNWGGNNZJLWPH-LLVKDONJSA-N 1 2 296.327 1.209 20 5 CDBDLO COC(=O)[C@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367965823 371212882 /nfs/dbraw/zinc/21/28/82/371212882.db2.gz VYNWGGNNZJLWPH-LLVKDONJSA-N 1 2 296.327 1.209 20 5 CDBDLO CC1(C)C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066528436 374344228 /nfs/dbraw/zinc/34/42/28/374344228.db2.gz OJZWOFSIEGQHFJ-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO CC1(C)C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066528436 374344231 /nfs/dbraw/zinc/34/42/31/374344231.db2.gz OJZWOFSIEGQHFJ-UHFFFAOYSA-N 1 2 293.323 1.184 20 5 CDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000275236527 374693490 /nfs/dbraw/zinc/69/34/90/374693490.db2.gz NGXAMCBNHRXAEU-UHFFFAOYSA-N 1 2 293.323 1.426 20 5 CDBDLO Cc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276709962 374743920 /nfs/dbraw/zinc/74/39/20/374743920.db2.gz ORHHDAZQVZIFJX-JTQLQIEISA-N 1 2 275.312 1.883 20 5 CDBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351938040 375343079 /nfs/dbraw/zinc/34/30/79/375343079.db2.gz WTNIJYUSUPFNAK-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351938040 375343084 /nfs/dbraw/zinc/34/30/84/375343084.db2.gz WTNIJYUSUPFNAK-STQMWFEESA-N 1 2 293.367 1.998 20 5 CDBDLO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000401672106 375464714 /nfs/dbraw/zinc/46/47/14/375464714.db2.gz VMXJAJPOBRUSRH-MNOVXSKESA-N 1 2 293.323 1.236 20 5 CDBDLO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000401672106 375464718 /nfs/dbraw/zinc/46/47/18/375464718.db2.gz VMXJAJPOBRUSRH-MNOVXSKESA-N 1 2 293.323 1.236 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354391837 375703887 /nfs/dbraw/zinc/70/38/87/375703887.db2.gz MQVZHUJIFLONRI-VIFPVBQESA-N 1 2 289.295 1.192 20 5 CDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000355275495 375786328 /nfs/dbraw/zinc/78/63/28/375786328.db2.gz YFKAGDHKLKXJQQ-UHFFFAOYSA-N 1 2 278.243 1.397 20 5 CDBDLO Cc1c(CNC(=O)CCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000357169681 375810672 /nfs/dbraw/zinc/81/06/72/375810672.db2.gz WXAZABJHDRROQK-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO Cc1c(CNC(=O)CCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000357169681 375810679 /nfs/dbraw/zinc/81/06/79/375810679.db2.gz WXAZABJHDRROQK-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO CCC1(O)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355335256 375791085 /nfs/dbraw/zinc/79/10/85/375791085.db2.gz BBNYTRHWHLBYEQ-UHFFFAOYSA-N 1 2 268.317 1.065 20 5 CDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000267032850 379580139 /nfs/dbraw/zinc/58/01/39/379580139.db2.gz NEHCVOLTIKPWLE-NSHDSACASA-N 1 2 254.261 1.955 20 5 CDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000267032850 379580147 /nfs/dbraw/zinc/58/01/47/379580147.db2.gz NEHCVOLTIKPWLE-NSHDSACASA-N 1 2 254.261 1.955 20 5 CDBDLO COC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000280868355 195008155 /nfs/dbraw/zinc/00/81/55/195008155.db2.gz ZJFVJQJOVSVEMI-SNVBAGLBSA-N 1 2 282.296 1.467 20 5 CDBDLO COC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000280868355 195008156 /nfs/dbraw/zinc/00/81/56/195008156.db2.gz ZJFVJQJOVSVEMI-SNVBAGLBSA-N 1 2 282.296 1.467 20 5 CDBDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491463934 253083587 /nfs/dbraw/zinc/08/35/87/253083587.db2.gz MAJDGTZVXQPFDS-VOTSOKGWSA-N 1 2 286.291 1.658 20 5 CDBDLO CCOc1cc(C[N@H+](C)[C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000492721775 253280406 /nfs/dbraw/zinc/28/04/06/253280406.db2.gz LBGITLDDJRJMIY-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO CCOc1cc(C[N@@H+](C)[C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000492721775 253280409 /nfs/dbraw/zinc/28/04/09/253280409.db2.gz LBGITLDDJRJMIY-LBPRGKRZSA-N 1 2 293.323 1.314 20 5 CDBDLO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000190331013 130091262 /nfs/dbraw/zinc/09/12/62/130091262.db2.gz LHSUIPDYQAECRU-JTQLQIEISA-N 1 2 298.368 1.210 20 5 CDBDLO Cc1nc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297274058 391858652 /nfs/dbraw/zinc/85/86/52/391858652.db2.gz WZCHBRVRZMVMFR-MWLCHTKSSA-N 1 2 295.343 1.214 20 5 CDBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC000270920503 392512588 /nfs/dbraw/zinc/51/25/88/392512588.db2.gz NVGJARADDWCCGG-UHFFFAOYSA-N 1 2 283.353 1.823 20 5 CDBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC000270920503 392512591 /nfs/dbraw/zinc/51/25/91/392512591.db2.gz NVGJARADDWCCGG-UHFFFAOYSA-N 1 2 283.353 1.823 20 5 CDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449643779 393135453 /nfs/dbraw/zinc/13/54/53/393135453.db2.gz CCZRSSMKJFNVSL-VIFPVBQESA-N 1 2 299.277 1.569 20 5 CDBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000332599883 393153587 /nfs/dbraw/zinc/15/35/87/393153587.db2.gz AOXYZYLKFHAKER-VIFPVBQESA-N 1 2 284.341 1.160 20 5 CDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000332599883 393153597 /nfs/dbraw/zinc/15/35/97/393153597.db2.gz AOXYZYLKFHAKER-VIFPVBQESA-N 1 2 284.341 1.160 20 5 CDBDLO Nc1cc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc[nH+]1 ZINC000487931146 393338679 /nfs/dbraw/zinc/33/86/79/393338679.db2.gz ONWGWOHWLDKLPZ-UHFFFAOYSA-N 1 2 296.286 1.766 20 5 CDBDLO Cn1cnnc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000286932890 397994402 /nfs/dbraw/zinc/99/44/02/397994402.db2.gz LHUMALSVURCAMO-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cn1cnnc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000286932890 397994407 /nfs/dbraw/zinc/99/44/07/397994407.db2.gz LHUMALSVURCAMO-UHFFFAOYSA-N 1 2 275.312 1.398 20 5 CDBDLO Cc1ccc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093641809 147058159 /nfs/dbraw/zinc/05/81/59/147058159.db2.gz YAWIKMNGZQYAJO-HUUCEWRRSA-N 1 2 291.351 1.418 20 5 CDBDLO Cc1ccc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093641809 147058161 /nfs/dbraw/zinc/05/81/61/147058161.db2.gz YAWIKMNGZQYAJO-HUUCEWRRSA-N 1 2 291.351 1.418 20 5 CDBDLO Cc1cc(C(=O)NCc2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000343296144 152108195 /nfs/dbraw/zinc/10/81/95/152108195.db2.gz DDUQAFJHXCLGFK-UHFFFAOYSA-N 1 2 274.280 1.567 20 5 CDBDLO COC[C@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352711227 155385599 /nfs/dbraw/zinc/38/55/99/155385599.db2.gz WDABQPPZDSWIMW-JTQLQIEISA-N 1 2 266.297 1.824 20 5 CDBDLO COC[C@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352711227 155385600 /nfs/dbraw/zinc/38/56/00/155385600.db2.gz WDABQPPZDSWIMW-JTQLQIEISA-N 1 2 266.297 1.824 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351667995 154641760 /nfs/dbraw/zinc/64/17/60/154641760.db2.gz PKGSHVKAZBYTMV-UHFFFAOYSA-N 1 2 293.258 1.752 20 5 CDBDLO Cc1[nH]c2ccc(Cn3ccc(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000358862092 158056480 /nfs/dbraw/zinc/05/64/80/158056480.db2.gz OLDZHAXFOOEDBT-UHFFFAOYSA-N 1 2 284.275 1.990 20 5 CDBDLO Cc1[nH]c2cc(Cn3ccc(=O)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000358862092 158056481 /nfs/dbraw/zinc/05/64/81/158056481.db2.gz OLDZHAXFOOEDBT-UHFFFAOYSA-N 1 2 284.275 1.990 20 5 CDBDLO CC(C)[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1[nH]cc[nH+]1 ZINC000285554931 196325484 /nfs/dbraw/zinc/32/54/84/196325484.db2.gz IUXMHCLVKJBRPZ-MRVPVSSYSA-N 1 2 277.288 1.499 20 5 CDBDLO CNC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000049459951 279176146 /nfs/dbraw/zinc/17/61/46/279176146.db2.gz OMAGPZBZGZSRLH-UHFFFAOYSA-N 1 2 278.312 1.052 20 5 CDBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1c[nH]nc1[N+](=O)[O-] ZINC000554836932 290194042 /nfs/dbraw/zinc/19/40/42/290194042.db2.gz BULBQFABCIYTGY-UHFFFAOYSA-N 1 2 298.262 1.756 20 5 CDBDLO CN1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000578903781 324055928 /nfs/dbraw/zinc/05/59/28/324055928.db2.gz ACQJAFITHQUUQJ-LLVKDONJSA-N 1 2 293.323 1.353 20 5 CDBDLO CN1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000578903781 324055932 /nfs/dbraw/zinc/05/59/32/324055932.db2.gz ACQJAFITHQUUQJ-LLVKDONJSA-N 1 2 293.323 1.353 20 5 CDBDLO O=[N+]([O-])CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000791053386 1162187334 /nfs/dbraw/zinc/18/73/34/1162187334.db2.gz LODBKHZROQDDKR-UHFFFAOYSA-N 1 2 269.732 1.739 20 5 CDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000067182086 527618158 /nfs/dbraw/zinc/61/81/58/527618158.db2.gz NMFYGIMZRJXTDI-ZZXKWVIFSA-N 1 2 286.291 1.621 20 5 CDBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[NH2+]C1 ZINC000262002023 535241675 /nfs/dbraw/zinc/24/16/75/535241675.db2.gz PXAOZXIOGWDALP-NSHDSACASA-N 1 2 293.323 1.515 20 5 CDBDLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(N)c([N+](=O)[O-])c1 ZINC000729533845 574815220 /nfs/dbraw/zinc/81/52/20/574815220.db2.gz TUHZLRSRYQSALP-UHFFFAOYSA-N 1 2 289.295 1.149 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000771920102 575634171 /nfs/dbraw/zinc/63/41/71/575634171.db2.gz TXVLYYMBSIZECI-UHFFFAOYSA-N 1 2 267.266 1.710 20 5 CDBDLO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCC1 ZINC000742172848 576584065 /nfs/dbraw/zinc/58/40/65/576584065.db2.gz HPMINLIWWGRZLG-UHFFFAOYSA-N 1 2 289.291 1.633 20 5 CDBDLO C[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCC1 ZINC000742172848 576584068 /nfs/dbraw/zinc/58/40/68/576584068.db2.gz HPMINLIWWGRZLG-UHFFFAOYSA-N 1 2 289.291 1.633 20 5 CDBDLO O=C(NCCn1cc[nH+]c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149148981 627267275 /nfs/dbraw/zinc/26/72/75/627267275.db2.gz UILQCBSWJPFKTH-UHFFFAOYSA-N 1 2 294.698 1.875 20 5 CDBDLO CO[C@H]1C[NH2+][C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001574001346 1167628173 /nfs/dbraw/zinc/62/81/73/1167628173.db2.gz WBVJYCCMHUWFJG-VXGBXAGGSA-N 1 2 280.280 1.015 20 5 CDBDLO Cc1cc(F)c(OC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001234060242 913221655 /nfs/dbraw/zinc/22/16/55/913221655.db2.gz OJOLMHGZYMVRMR-JTQLQIEISA-N 1 2 284.287 1.752 20 5 CDBDLO Cc1cc(F)c(OC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001234060242 913221674 /nfs/dbraw/zinc/22/16/74/913221674.db2.gz OJOLMHGZYMVRMR-JTQLQIEISA-N 1 2 284.287 1.752 20 5 CDBDLO Cn1c[nH+]cc1CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001222595321 900266988 /nfs/dbraw/zinc/26/69/88/900266988.db2.gz WPAZHPKMQKRPGS-GFCCVEGCSA-N 1 2 262.269 1.350 20 5 CDBDLO CCn1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)nn1 ZINC000850522303 927440822 /nfs/dbraw/zinc/44/08/22/927440822.db2.gz NEAOKDVXYBZPMM-SECBINFHSA-N 1 2 290.327 1.639 20 5 CDBDLO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000881923782 929918736 /nfs/dbraw/zinc/91/87/36/929918736.db2.gz NSYXYYZRYDALFC-ZJUUUORDSA-N 1 2 298.318 1.650 20 5 CDBDLO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001117289616 937506514 /nfs/dbraw/zinc/50/65/14/937506514.db2.gz LHCLQUBWSXEHNS-RYUDHWBXSA-N 1 2 294.355 1.241 20 5 CDBDLO CCc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2N)c[nH+]1 ZINC001156538359 938381393 /nfs/dbraw/zinc/38/13/93/938381393.db2.gz RWTVLEBSIKHVPY-UHFFFAOYSA-N 1 2 289.295 1.393 20 5 CDBDLO CCc1[nH]cc(CNC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]1 ZINC001156538359 938381396 /nfs/dbraw/zinc/38/13/96/938381396.db2.gz RWTVLEBSIKHVPY-UHFFFAOYSA-N 1 2 289.295 1.393 20 5 CDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210949673 940723256 /nfs/dbraw/zinc/72/32/56/940723256.db2.gz LDDNUBAQKHMNNR-UHFFFAOYSA-N 1 2 294.242 1.679 20 5 CDBDLO C[N@@H+]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228971597 942402221 /nfs/dbraw/zinc/40/22/21/942402221.db2.gz QQBPGVYYFPVQLN-VIFPVBQESA-N 1 2 268.269 1.479 20 5 CDBDLO C[N@H+]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228971597 942402224 /nfs/dbraw/zinc/40/22/24/942402224.db2.gz QQBPGVYYFPVQLN-VIFPVBQESA-N 1 2 268.269 1.479 20 5 CDBDLO C[NH+]1CC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 ZINC001233500800 943603229 /nfs/dbraw/zinc/60/32/29/943603229.db2.gz UXMZTDWPZCKSKF-UHFFFAOYSA-N 1 2 282.687 1.817 20 5 CDBDLO CCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000150221088 342473705 /nfs/dbraw/zinc/47/37/05/342473705.db2.gz KCXFUDYLWGNLAZ-UHFFFAOYSA-N 1 2 263.341 1.775 20 5 CDBDLO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590776523 342595346 /nfs/dbraw/zinc/59/53/46/342595346.db2.gz NJKYJWZRUOCSHV-RNCFNFMXSA-N 1 2 293.298 1.510 20 5 CDBDLO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590776523 342595347 /nfs/dbraw/zinc/59/53/47/342595347.db2.gz NJKYJWZRUOCSHV-RNCFNFMXSA-N 1 2 293.298 1.510 20 5 CDBDLO NC(=O)C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000048609643 342098527 /nfs/dbraw/zinc/09/85/27/342098527.db2.gz DVVNJSZWBLSRJO-UHFFFAOYSA-N 1 2 283.353 1.886 20 5 CDBDLO NC(=O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000048609643 342098528 /nfs/dbraw/zinc/09/85/28/342098528.db2.gz DVVNJSZWBLSRJO-UHFFFAOYSA-N 1 2 283.353 1.886 20 5 CDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000573461435 361882373 /nfs/dbraw/zinc/88/23/73/361882373.db2.gz SHXDTFBCDNTGRL-GXTWGEPZSA-N 1 2 278.308 1.958 20 5 CDBDLO Cc1noc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595299923 343028051 /nfs/dbraw/zinc/02/80/51/343028051.db2.gz GUJFUHPBJWLNFZ-NSHDSACASA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1noc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595299923 343028053 /nfs/dbraw/zinc/02/80/53/343028053.db2.gz GUJFUHPBJWLNFZ-NSHDSACASA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1noc(C[N@H+]2CCSC[C@H]2C)c1[N+](=O)[O-] ZINC000595326811 343036091 /nfs/dbraw/zinc/03/60/91/343036091.db2.gz ADVWNDJDXUMRQZ-SSDOTTSWSA-N 1 2 257.315 1.829 20 5 CDBDLO Cc1noc(C[N@@H+]2CCSC[C@H]2C)c1[N+](=O)[O-] ZINC000595326811 343036094 /nfs/dbraw/zinc/03/60/94/343036094.db2.gz ADVWNDJDXUMRQZ-SSDOTTSWSA-N 1 2 257.315 1.829 20 5 CDBDLO Cc1noc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1[N+](=O)[O-] ZINC000595460031 343069920 /nfs/dbraw/zinc/06/99/20/343069920.db2.gz SRJXTZQCOKKULS-JTQLQIEISA-N 1 2 287.316 1.109 20 5 CDBDLO Cc1noc(C[N@H+](C)[C@@H](CO)COC(C)C)c1[N+](=O)[O-] ZINC000595460031 343069921 /nfs/dbraw/zinc/06/99/21/343069921.db2.gz SRJXTZQCOKKULS-JTQLQIEISA-N 1 2 287.316 1.109 20 5 CDBDLO CCc1nn(C)c(N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000596541340 343346485 /nfs/dbraw/zinc/34/64/85/343346485.db2.gz FLFPXDPJKZWHMH-QMMMGPOBSA-N 1 2 278.316 1.797 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092096595 342410772 /nfs/dbraw/zinc/41/07/72/342410772.db2.gz DUGYHDBRXJYTNL-LBPRGKRZSA-N 1 2 279.296 1.011 20 5 CDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092096595 342410773 /nfs/dbraw/zinc/41/07/73/342410773.db2.gz DUGYHDBRXJYTNL-LBPRGKRZSA-N 1 2 279.296 1.011 20 5 CDBDLO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[NH2+]1 ZINC000598576669 343833991 /nfs/dbraw/zinc/83/39/91/343833991.db2.gz YNYUQMJISGTWAN-GFCCVEGCSA-N 1 2 293.323 1.370 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000602821035 344609749 /nfs/dbraw/zinc/60/97/49/344609749.db2.gz JJYHXDCQMFBSHB-GFCCVEGCSA-N 1 2 290.327 1.660 20 5 CDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000602821035 344609751 /nfs/dbraw/zinc/60/97/51/344609751.db2.gz JJYHXDCQMFBSHB-GFCCVEGCSA-N 1 2 290.327 1.660 20 5 CDBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cn2c1 ZINC000056354652 345161265 /nfs/dbraw/zinc/16/12/65/345161265.db2.gz ZFVZTSLROGKXOS-UHFFFAOYSA-N 1 2 299.290 1.809 20 5 CDBDLO O=C(C1CC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000015304373 345486132 /nfs/dbraw/zinc/48/61/32/345486132.db2.gz IMQDHONWMZNXFJ-UHFFFAOYSA-N 1 2 289.335 1.649 20 5 CDBDLO Cc1cc(N2CC[NH+](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080530873 345616845 /nfs/dbraw/zinc/61/68/45/345616845.db2.gz ZKBXDXMJDASASI-UHFFFAOYSA-N 1 2 299.758 1.671 20 5 CDBDLO COCCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000053140845 346377763 /nfs/dbraw/zinc/37/77/63/346377763.db2.gz WORUDMXAPALZJF-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000053140845 346377767 /nfs/dbraw/zinc/37/77/67/346377767.db2.gz WORUDMXAPALZJF-UHFFFAOYSA-N 1 2 295.339 1.179 20 5 CDBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000610909418 346486494 /nfs/dbraw/zinc/48/64/94/346486494.db2.gz KJNQYBBFQQULDF-DTWKUNHWSA-N 1 2 271.342 1.787 20 5 CDBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCO1 ZINC000610909418 346486496 /nfs/dbraw/zinc/48/64/96/346486496.db2.gz KJNQYBBFQQULDF-DTWKUNHWSA-N 1 2 271.342 1.787 20 5 CDBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000612345375 347123660 /nfs/dbraw/zinc/12/36/60/347123660.db2.gz GRNWMALDSWIIDP-UHFFFAOYSA-N 1 2 275.268 1.636 20 5 CDBDLO COc1cc(C)[nH+]c(Cn2ncc([N+](=O)[O-])c2N)c1 ZINC000271197081 347629483 /nfs/dbraw/zinc/62/94/83/347629483.db2.gz HRGVICJRDQTMFB-UHFFFAOYSA-N 1 2 263.257 1.134 20 5 CDBDLO CC(C)CNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605543 365914673 /nfs/dbraw/zinc/91/46/73/365914673.db2.gz PADGGXUSNZAIIT-UHFFFAOYSA-N 1 2 291.351 1.725 20 5 CDBDLO CC(C)CNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605543 365914681 /nfs/dbraw/zinc/91/46/81/365914681.db2.gz PADGGXUSNZAIIT-UHFFFAOYSA-N 1 2 291.351 1.725 20 5 CDBDLO CC[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000271209466 191001730 /nfs/dbraw/zinc/00/17/30/191001730.db2.gz UADJCIZIIVEXKB-CQSZACIVSA-N 1 2 296.323 1.905 20 5 CDBDLO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236306191 363087968 /nfs/dbraw/zinc/08/79/68/363087968.db2.gz MTEYOSMIWBSMPD-DTWKUNHWSA-N 1 2 265.269 1.366 20 5 CDBDLO Cc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157581957 188325590 /nfs/dbraw/zinc/32/55/90/188325590.db2.gz AGLLDZINCFVSEF-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO Cc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157581957 188325591 /nfs/dbraw/zinc/32/55/91/188325591.db2.gz AGLLDZINCFVSEF-LBPRGKRZSA-N 1 2 298.364 1.522 20 5 CDBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000411868795 363368717 /nfs/dbraw/zinc/36/87/17/363368717.db2.gz XKMFWOBHNLMHTF-ZDUSSCGKSA-N 1 2 268.288 1.808 20 5 CDBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000411868795 363368726 /nfs/dbraw/zinc/36/87/26/363368726.db2.gz XKMFWOBHNLMHTF-ZDUSSCGKSA-N 1 2 268.288 1.808 20 5 CDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000047257383 356971753 /nfs/dbraw/zinc/97/17/53/356971753.db2.gz GTVGTQONWRQOQO-NSHDSACASA-N 1 2 288.307 1.539 20 5 CDBDLO CC(=O)NCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566185805 357426619 /nfs/dbraw/zinc/42/66/19/357426619.db2.gz SXIGIVYJAYTPMI-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO CC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566185805 357426621 /nfs/dbraw/zinc/42/66/21/357426621.db2.gz SXIGIVYJAYTPMI-UHFFFAOYSA-N 1 2 285.731 1.816 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287176572 358122631 /nfs/dbraw/zinc/12/26/31/358122631.db2.gz ZXIARCITBZBHJF-ZDUSSCGKSA-N 1 2 268.288 1.891 20 5 CDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287176572 358122633 /nfs/dbraw/zinc/12/26/33/358122633.db2.gz ZXIARCITBZBHJF-ZDUSSCGKSA-N 1 2 268.288 1.891 20 5 CDBDLO CC(C)(CCC(=O)NCCCNc1cccc[nH+]1)[N+](=O)[O-] ZINC000294757255 199169354 /nfs/dbraw/zinc/16/93/54/199169354.db2.gz AWHXHCPRMAQNOD-UHFFFAOYSA-N 1 2 294.355 1.835 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008846 358318005 /nfs/dbraw/zinc/31/80/05/358318005.db2.gz MEHYFSHCWHMBAH-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008846 358318006 /nfs/dbraw/zinc/31/80/06/358318006.db2.gz MEHYFSHCWHMBAH-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008846 358318007 /nfs/dbraw/zinc/31/80/07/358318007.db2.gz MEHYFSHCWHMBAH-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008846 358318008 /nfs/dbraw/zinc/31/80/08/358318008.db2.gz MEHYFSHCWHMBAH-UHFFFAOYSA-N 1 2 288.307 1.755 20 5 CDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000080624451 358983586 /nfs/dbraw/zinc/98/35/86/358983586.db2.gz ZYISRGFGZJJQDB-UHFFFAOYSA-N 1 2 296.308 1.105 20 5 CDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000297268746 200131267 /nfs/dbraw/zinc/13/12/67/200131267.db2.gz RUNYJXHQSASBDF-UHFFFAOYSA-N 1 2 264.241 1.334 20 5 CDBDLO O=C(CCn1cc[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347993020 360025358 /nfs/dbraw/zinc/02/53/58/360025358.db2.gz VTQFJSXOPLLARS-UHFFFAOYSA-N 1 2 278.243 1.959 20 5 CDBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000180489582 189258544 /nfs/dbraw/zinc/25/85/44/189258544.db2.gz JPNHJYHAGXWSIK-CYBMUJFWSA-N 1 2 293.367 1.747 20 5 CDBDLO Cc1ccnc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265191677 361351683 /nfs/dbraw/zinc/35/16/83/361351683.db2.gz LAKICGAHUDCABJ-RYUDHWBXSA-N 1 2 294.355 1.819 20 5 CDBDLO Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[N+](=O)[O-] ZINC000367627666 364008837 /nfs/dbraw/zinc/00/88/37/364008837.db2.gz BFCXJKSAANAPIT-TXEJJXNPSA-N 1 2 280.328 1.271 20 5 CDBDLO Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[N+](=O)[O-] ZINC000367627666 364008843 /nfs/dbraw/zinc/00/88/43/364008843.db2.gz BFCXJKSAANAPIT-TXEJJXNPSA-N 1 2 280.328 1.271 20 5 CDBDLO COc1cc(NCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000111047068 365389655 /nfs/dbraw/zinc/38/96/55/365389655.db2.gz FWDHIOJUSVTCOH-UHFFFAOYSA-N 1 2 294.355 1.263 20 5 CDBDLO Cc1nc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cs1 ZINC000348306255 367062845 /nfs/dbraw/zinc/06/28/45/367062845.db2.gz CXQMHUBKMFNIEU-SSDOTTSWSA-N 1 2 281.341 1.944 20 5 CDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000348398786 367254013 /nfs/dbraw/zinc/25/40/13/367254013.db2.gz KCILOCHQBKIXLN-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000170689755 368511741 /nfs/dbraw/zinc/51/17/41/368511741.db2.gz CXUOHMQWFGYSDC-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000170689755 368511750 /nfs/dbraw/zinc/51/17/50/368511750.db2.gz CXUOHMQWFGYSDC-CYBMUJFWSA-N 1 2 277.324 1.695 20 5 CDBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000129891792 370059523 /nfs/dbraw/zinc/05/95/23/370059523.db2.gz CVGVYNASKBRSTD-JTQLQIEISA-N 1 2 284.316 1.063 20 5 CDBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000129891792 370059533 /nfs/dbraw/zinc/05/95/33/370059533.db2.gz CVGVYNASKBRSTD-JTQLQIEISA-N 1 2 284.316 1.063 20 5 CDBDLO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423730845 246008608 /nfs/dbraw/zinc/00/86/08/246008608.db2.gz NROJLPGBPDVXDN-GWCFXTLKSA-N 1 2 293.323 1.873 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000449525355 374818372 /nfs/dbraw/zinc/81/83/72/374818372.db2.gz RIWUZJPAGQMTOM-BCMYLCSRSA-N 1 2 289.335 1.818 20 5 CDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000449525355 374818378 /nfs/dbraw/zinc/81/83/78/374818378.db2.gz RIWUZJPAGQMTOM-BCMYLCSRSA-N 1 2 289.335 1.818 20 5 CDBDLO COCC1=CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331108870 374890785 /nfs/dbraw/zinc/89/07/85/374890785.db2.gz HXEDDSJEPFUJMQ-UHFFFAOYSA-N 1 2 266.301 1.107 20 5 CDBDLO COCC1=CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331108870 374890788 /nfs/dbraw/zinc/89/07/88/374890788.db2.gz HXEDDSJEPFUJMQ-UHFFFAOYSA-N 1 2 266.301 1.107 20 5 CDBDLO CCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1=O ZINC000282485941 375090021 /nfs/dbraw/zinc/09/00/21/375090021.db2.gz MBXQCCCTPYUEIN-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO CCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1=O ZINC000282485941 375090029 /nfs/dbraw/zinc/09/00/29/375090029.db2.gz MBXQCCCTPYUEIN-UHFFFAOYSA-N 1 2 295.314 1.788 20 5 CDBDLO COc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000347336112 375558601 /nfs/dbraw/zinc/55/86/01/375558601.db2.gz KKMQAHZXGIXRCD-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO COc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000347336112 375558605 /nfs/dbraw/zinc/55/86/05/375558605.db2.gz KKMQAHZXGIXRCD-CQSZACIVSA-N 1 2 298.314 1.900 20 5 CDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354550343 375723619 /nfs/dbraw/zinc/72/36/19/375723619.db2.gz JLAPFSGUKOMKPZ-UHFFFAOYSA-N 1 2 275.268 1.139 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122213850 296234343 /nfs/dbraw/zinc/23/43/43/296234343.db2.gz VWVQYXQPPZGNNI-GBIKHYSHSA-N 1 2 293.323 1.230 20 5 CDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122213850 296234345 /nfs/dbraw/zinc/23/43/45/296234345.db2.gz VWVQYXQPPZGNNI-GBIKHYSHSA-N 1 2 293.323 1.230 20 5 CDBDLO C[C@@H]([NH2+]Cc1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000173456149 378430113 /nfs/dbraw/zinc/43/01/13/378430113.db2.gz UZFZIHBRUWSROL-SECBINFHSA-N 1 2 261.285 1.574 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000174830394 379587330 /nfs/dbraw/zinc/58/73/30/379587330.db2.gz VCBQHMBUZBEVIF-NSHDSACASA-N 1 2 290.327 1.394 20 5 CDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000174830394 379587332 /nfs/dbraw/zinc/58/73/32/379587332.db2.gz VCBQHMBUZBEVIF-NSHDSACASA-N 1 2 290.327 1.394 20 5 CDBDLO O=C1NCCCC[C@H]1[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000119422917 296366926 /nfs/dbraw/zinc/36/69/26/296366926.db2.gz XSIRTMODRKIKCP-CQSZACIVSA-N 1 2 289.335 1.622 20 5 CDBDLO O=C1NCCCC[C@H]1[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000119422917 296366928 /nfs/dbraw/zinc/36/69/28/296366928.db2.gz XSIRTMODRKIKCP-CQSZACIVSA-N 1 2 289.335 1.622 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000090360429 285113139 /nfs/dbraw/zinc/11/31/39/285113139.db2.gz WYUJTIBNFVOUMT-NSHDSACASA-N 1 2 281.268 1.460 20 5 CDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000090360429 285113141 /nfs/dbraw/zinc/11/31/41/285113141.db2.gz WYUJTIBNFVOUMT-NSHDSACASA-N 1 2 281.268 1.460 20 5 CDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492814046 253301524 /nfs/dbraw/zinc/30/15/24/253301524.db2.gz RWQCTVSCFDXUEF-DUXPYHPUSA-N 1 2 298.302 1.916 20 5 CDBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC000189855698 130030370 /nfs/dbraw/zinc/03/03/70/130030370.db2.gz VTRIDMHSGMVKKU-ZJUUUORDSA-N 1 2 290.327 1.839 20 5 CDBDLO CN1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000496536681 391923294 /nfs/dbraw/zinc/92/32/94/391923294.db2.gz VMHKAUOATMJDOL-LLVKDONJSA-N 1 2 279.296 1.477 20 5 CDBDLO CN1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000496536681 391923297 /nfs/dbraw/zinc/92/32/97/391923297.db2.gz VMHKAUOATMJDOL-LLVKDONJSA-N 1 2 279.296 1.477 20 5 CDBDLO CC[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000442803587 392495959 /nfs/dbraw/zinc/49/59/59/392495959.db2.gz USTSDWGMOCHPDU-QMMMGPOBSA-N 1 2 291.267 1.300 20 5 CDBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc(C)[nH+]1 ZINC000421562810 392939120 /nfs/dbraw/zinc/93/91/20/392939120.db2.gz WATSXRBWNQNXIX-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO COc1ccc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000343287932 152103047 /nfs/dbraw/zinc/10/30/47/152103047.db2.gz PMGHDAPPSIANCJ-UHFFFAOYSA-N 1 2 290.279 1.267 20 5 CDBDLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343644994 152254758 /nfs/dbraw/zinc/25/47/58/152254758.db2.gz RGXRGYBKUCTGEN-SECBINFHSA-N 1 2 284.316 1.102 20 5 CDBDLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343644994 152254759 /nfs/dbraw/zinc/25/47/59/152254759.db2.gz RGXRGYBKUCTGEN-SECBINFHSA-N 1 2 284.316 1.102 20 5 CDBDLO Cc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000373271496 160188084 /nfs/dbraw/zinc/18/80/84/160188084.db2.gz DNLHAQMFIPSIPY-UHFFFAOYSA-N 1 2 291.311 1.925 20 5 CDBDLO Cc1ccnc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000078835312 177396165 /nfs/dbraw/zinc/39/61/65/177396165.db2.gz RJABDCFUUIYYGJ-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO Cc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000078835312 177396167 /nfs/dbraw/zinc/39/61/67/177396167.db2.gz RJABDCFUUIYYGJ-JTQLQIEISA-N 1 2 266.301 1.041 20 5 CDBDLO CCC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298078347 278555842 /nfs/dbraw/zinc/55/58/42/278555842.db2.gz LOPPWVPYEVFHFG-UHFFFAOYSA-N 1 2 292.339 1.481 20 5 CDBDLO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000346454234 280258183 /nfs/dbraw/zinc/25/81/83/280258183.db2.gz LUJRFAKZDSNRDF-GFCCVEGCSA-N 1 2 275.308 1.401 20 5 CDBDLO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000346454234 280258187 /nfs/dbraw/zinc/25/81/87/280258187.db2.gz LUJRFAKZDSNRDF-GFCCVEGCSA-N 1 2 275.308 1.401 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156416735 289264456 /nfs/dbraw/zinc/26/44/56/289264456.db2.gz UPIRAFYSNXALGM-NSHDSACASA-N 1 2 293.323 1.184 20 5 CDBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156416735 289264459 /nfs/dbraw/zinc/26/44/59/289264459.db2.gz UPIRAFYSNXALGM-NSHDSACASA-N 1 2 293.323 1.184 20 5 CDBDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000567610255 293818722 /nfs/dbraw/zinc/81/87/22/293818722.db2.gz AMSSLIQQUNNWQV-VXGBXAGGSA-N 1 2 288.250 1.376 20 5 CDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293537702 304531028 /nfs/dbraw/zinc/53/10/28/304531028.db2.gz VOXXWORGDYYCTN-QWRGUYRKSA-N 1 2 291.307 1.124 20 5 CDBDLO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262025609 300794690 /nfs/dbraw/zinc/79/46/90/300794690.db2.gz AWZHPWLKMRKMNH-CYBMUJFWSA-N 1 2 279.296 1.111 20 5 CDBDLO C[N@@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351190066 316243519 /nfs/dbraw/zinc/24/35/19/316243519.db2.gz VGTJJQXSDFMFMJ-NSHDSACASA-N 1 2 290.279 1.648 20 5 CDBDLO C[N@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351190066 316243524 /nfs/dbraw/zinc/24/35/24/316243524.db2.gz VGTJJQXSDFMFMJ-NSHDSACASA-N 1 2 290.279 1.648 20 5 CDBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000575071386 316953901 /nfs/dbraw/zinc/95/39/01/316953901.db2.gz WXWOMUJWFWMCDX-JTQLQIEISA-N 1 2 292.339 1.915 20 5 CDBDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])s2)[nH+]1 ZINC000336915225 524353204 /nfs/dbraw/zinc/35/32/04/524353204.db2.gz AZGPWZLGXZPPCI-UHFFFAOYSA-N 1 2 264.310 1.831 20 5 CDBDLO O=C(C[NH2+]CC1CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581447 526880687 /nfs/dbraw/zinc/88/06/87/526880687.db2.gz VDNVNRVJPHKRIN-UHFFFAOYSA-N 1 2 265.269 1.239 20 5 CDBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000771948077 575640717 /nfs/dbraw/zinc/64/07/17/575640717.db2.gz GDZJXHDJAYIDSL-UHFFFAOYSA-N 1 2 279.227 1.787 20 5 CDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000773158617 575786415 /nfs/dbraw/zinc/78/64/15/575786415.db2.gz AWLDEDVRYJDYBP-VIFPVBQESA-N 1 2 279.296 1.077 20 5 CDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000773158617 575786418 /nfs/dbraw/zinc/78/64/18/575786418.db2.gz AWLDEDVRYJDYBP-VIFPVBQESA-N 1 2 279.296 1.077 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746663737 576788520 /nfs/dbraw/zinc/78/85/20/576788520.db2.gz VVQZWKJERGJMDB-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746663737 576788521 /nfs/dbraw/zinc/78/85/21/576788521.db2.gz VVQZWKJERGJMDB-GFCCVEGCSA-N 1 2 297.742 1.959 20 5 CDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]cn2C)c1C ZINC000890991162 617351587 /nfs/dbraw/zinc/35/15/87/617351587.db2.gz SVMQEVFNJYXFAE-UHFFFAOYSA-N 1 2 288.307 1.875 20 5 CDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C ZINC000895803781 619852802 /nfs/dbraw/zinc/85/28/02/619852802.db2.gz FLJVKXPGOSBDEX-GFCCVEGCSA-N 1 2 294.355 1.821 20 5 CDBDLO C[N@H+](CC[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000798193667 620588934 /nfs/dbraw/zinc/58/89/34/620588934.db2.gz NXPLSFAQNYTNEI-SNVBAGLBSA-N 1 2 252.270 1.035 20 5 CDBDLO C[N@@H+](CC[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000798193667 620588937 /nfs/dbraw/zinc/58/89/37/620588937.db2.gz NXPLSFAQNYTNEI-SNVBAGLBSA-N 1 2 252.270 1.035 20 5 CDBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C ZINC000905852603 627022369 /nfs/dbraw/zinc/02/23/69/627022369.db2.gz JQJIHMHQJPDGCV-DTWKUNHWSA-N 1 2 276.300 1.530 20 5 CDBDLO CC(=O)OC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000156831475 630574566 /nfs/dbraw/zinc/57/45/66/630574566.db2.gz KMXQKHQUAHFRHV-UHFFFAOYSA-N 1 2 296.327 1.393 20 5 CDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804431394 1162476311 /nfs/dbraw/zinc/47/63/11/1162476311.db2.gz QBSNLBMGYPXZOZ-SNVBAGLBSA-N 1 2 280.328 1.310 20 5 CDBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804431394 1162476314 /nfs/dbraw/zinc/47/63/14/1162476314.db2.gz QBSNLBMGYPXZOZ-SNVBAGLBSA-N 1 2 280.328 1.310 20 5 CDBDLO