smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(CO)c([N+](=O)[O-])cc1OCC(F)F 37756161 GRZXZYHUDCKDSP-UHFFFAOYSA-N 263.196 1.740 5 30 CDBC in-vitro O=C(O)COCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 93228779 DXBZNFDYWZIKSD-UHFFFAOYSA-N 285.212 1.016 5 30 CDBC CN(CC(=O)O)c1cc(Br)ccc1[N+](=O)[O-] 83730383 AFORJLZSRAFPSP-UHFFFAOYSA-N 289.085 1.878 5 30 CDBC O=c1[nH]cnc2cc(Br)c([N+](=O)[O-])cc12 144828671 HTNGXJGVBZFNIN-UHFFFAOYSA-N 270.042 1.594 5 30 CDBC COc1cc2c(C)[nH]c(=O)c([N+](=O)[O-])c2cc1OC 8647779 UXHUJNKOWBDSNR-UHFFFAOYSA-N 264.237 1.762 5 30 CDBC O=C(O[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 135985 MZUQHOMDMKXMHB-CYBMUJFWSA-N 276.292 1.846 5 30 CDBC Cc1c([N+](=O)[O-])c(C)c(S(=O)(=O)O)c(C)c1[N+](=O)[O-] 6068734 RGNRSPQQRBBORA-UHFFFAOYSA-N 290.253 1.675 5 30 CDBC COC[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 171590 FUOBBOVSRPOHSW-MRVPVSSYSA-N 277.280 1.841 5 30 CDBC COC[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 171588 FUOBBOVSRPOHSW-QMMMGPOBSA-N 277.280 1.841 5 30 CDBC CCOC(=O)c1nn(-c2ccccc2)cc1[N+](=O)[O-] 98177817 XVSPQFYKRDVSSR-UHFFFAOYSA-N 261.237 1.957 5 30 CDBC CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](O)C[N+](=O)[O-] 91352954 AWYKPQQEGGXZIY-IUCAKERBSA-N 260.290 1.024 5 30 CDBC CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](O)C[N+](=O)[O-] 91352950 AWYKPQQEGGXZIY-BDAKNGLRSA-N 260.290 1.024 5 30 CDBC COC(=O)c1cccc([N+](=O)[O-])c1N[C@H](C)C(=O)OC 238856192 VHXZLVZTZZPHMC-SSDOTTSWSA-N 282.252 1.355 5 30 CDBC CC(C)(C)OC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1 38534735 WFXHVZZCTZMYSA-LLVKDONJSA-N 266.297 1.806 5 30 CDBC CN(C)C=C(c1nncn1-c1ccccc1)[N+](=O)[O-] 2265269997 OGKJVYIAWGVBBE-UHFFFAOYSA-N 259.269 1.404 5 30 CDBC O=C(O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 6092945 DYDFGNHHYHDJLU-MRVPVSSYSA-N 253.210 1.313 5 30 CDBC in-vitro CN(C)C(Cl)=C(c1nnc(C(F)(F)F)n1C)[N+](=O)[O-] 2265270002 OZSDXPREAVOJON-UHFFFAOYSA-N 299.640 1.537 5 30 CDBC O=[N+]([O-])c1ccc(I)cc1CO 218154418 MGQQOIVBIUQZBS-UHFFFAOYSA-N 279.033 1.692 5 30 CDBC Cn1cnc([N+](=O)[O-])c1NCc1ccc2c(c1)OCO2 4302370 JENYUDZBWUBLIX-UHFFFAOYSA-N 276.252 1.669 5 30 CDBC COC(=O)c1cc(F)cc2[nH]cc(CC[N+](=O)[O-])c12 1774020945 DSWHKADQUUNGPI-UHFFFAOYSA-N 266.228 1.913 5 30 CDBC Nc1c(C=O)c2nc3c(C(=O)O)cccc3oc-2cc1=O 13397174 UBLBKPOVGFNTLW-UHFFFAOYSA-N 284.227 1.386 5 30 CDBC biogenic,in-vitro C[N+](C)(C)CC1(CO)COC(c2ccccc2)OC1 2040049 KNKUCWKUJVVFEO-UHFFFAOYSA-N 266.361 1.417 5 30 CDBC Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1C(N)=S 126778 WUSWHCJZDMHXJF-UHFFFAOYSA-N 277.309 1.305 5 30 CDBC NC(=O)c1ccc(I)cc1[N+](=O)[O-] 97054217 MSRRMIHJGQJADR-UHFFFAOYSA-N 292.032 1.298 5 30 CDBC in-vitro O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)cc1Br 1571172 ANWKXNJYDWQRGL-UHFFFAOYSA-N 290.025 1.754 5 30 CDBC CCOC(=O)C(C(=O)OCC)c1cc(F)ccc1[N+](=O)[O-] 95642518 JJESJQSSPORFPY-UHFFFAOYSA-N 299.254 1.944 5 30 CDBC COC(=O)[C@H](N)Cc1ccc(Cl)cc1[N+](=O)[O-] 44327458 LCJQUKSBKMHWQA-MRVPVSSYSA-N 258.661 1.291 5 30 CDBC O=[N+]([O-])c1ccc(SCCO)nc1SCCO 3467817 BBWPNXUCVAHUPG-UHFFFAOYSA-N 276.339 1.159 5 30 CDBC Cn1c(=O)/c(=N/O)c2ccccc2c2ccccc21 100092767 QVRCJTODZXUHRW-JQIJEIRASA-N 252.273 1.982 5 30 CDBC in-vitro O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 6883312 FRTPHDWLQSBFKN-RKDXNWHRSA-N 250.210 1.254 5 30 CDBC CCN(C[C@H](O)C[N+](C)(C)C)c1ccccc1C 38615315 DIXROAMGSVHZKQ-AWEZNQCLSA-N 251.394 1.888 5 30 CDBC CN1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 35677756 MBLWNALJEFWODX-UHFFFAOYSA-N 263.341 1.821 5 30 CDBC NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 98095768 ZRLUOYFSJJILOO-UHFFFAOYSA-N 299.077 1.144 5 30 CDBC CO[C@@H]1C[C@H](C(=O)O)N(c2ccccc2[N+](=O)[O-])C1 19505961 SMFDPJLOTPZNTH-LDYMZIIASA-N 266.253 1.273 5 30 CDBC N=C1SCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 38635209 HUXFDEDCBFPIJQ-SNVBAGLBSA-N 267.310 1.612 5 30 CDBC O=C(NCc1cccc([N+](=O)[O-])c1)O[C@H]1CCOC1 201276418 YTCZNSBZOWKONT-NSHDSACASA-N 266.253 1.610 5 30 CDBC N[C@H](CC(=O)O)c1cc(Br)ccc1[N+](=O)[O-] 309313772 MYRARXQLHKBBPP-SSDOTTSWSA-N 289.085 1.832 5 30 CDBC CO[C@H]1C[C@H](C(=O)O)N(c2ccccc2[N+](=O)[O-])C1 19505963 SMFDPJLOTPZNTH-GZMMTYOYSA-N 266.253 1.273 5 30 CDBC O=C(NC(=O)N1CCCCC1)c1csc([N+](=O)[O-])c1 143356 PPMZJLHEXDDHKY-UHFFFAOYSA-N 283.309 1.992 5 30 CDBC CC1(C)C[C@@H](NC(=O)c2coc([N+](=O)[O-])c2)C(=O)O1 1852805 LVFNBLBWBSMCHK-SSDOTTSWSA-N 268.225 1.012 5 30 CDBC NCCOc1ncc(Br)cc1[N+](=O)[O-] 51870346 OYIXMFDFKGZHDK-UHFFFAOYSA-N 262.063 1.090 5 30 CDBC CCOC(=O)CNc1ccc(OC)cc1[N+](=O)[O-] 21003636 RWYHVGNATMSJDE-UHFFFAOYSA-N 254.242 1.578 5 30 CDBC O=C1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])CN1 687746593 OCHKPVLPPYVAIR-LURJTMIESA-N 285.097 1.961 5 30 CDBC Cc1nc(N)c(I)cc1[N+](=O)[O-] 42689437 RYVJHBZIFBAFRX-UHFFFAOYSA-N 279.037 1.485 5 30 CDBC COc1c([N+](=O)[O-])c(=O)n2c3c(cccc13)CCC2 132716 HNCZLZQMFXAVSS-UHFFFAOYSA-N 260.249 1.865 5 30 CDBC Cn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 116659 GLNHJEFZYREVRR-UHFFFAOYSA-N 282.281 1.129 5 30 CDBC Cc1nn(Cc2n[nH]c(=S)n2C)c(C)c1[N+](=O)[O-] 126332 UOPLTWUTAHZHFO-UHFFFAOYSA-N 268.302 1.248 5 30 CDBC O=[N+]([O-])c1cccc(C2=NN[C@@](O)(C(F)(F)F)C2)c1 146937 LMCTXRWYCBBHOS-VIFPVBQESA-N 275.186 1.543 5 30 CDBC COc1cc(O)c([N+](=O)[O-])cc1I 1774020963 SFMDLWABHJVEMW-UHFFFAOYSA-N 295.032 1.914 5 30 CDBC Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N 36277948 RQXDRDPUZQZFDZ-UHFFFAOYSA-N 260.253 1.768 5 30 CDBC Cc1nc(N)nc(N)c1Cc1ccc([N+](=O)[O-])cc1 3633586 SLGQNHYYIRHGIG-UHFFFAOYSA-N 259.269 1.448 5 30 CDBC CO[C@H]1C[C@@H](C(=O)O)N(c2ccccc2[N+](=O)[O-])C1 19505959 SMFDPJLOTPZNTH-KWQFWETISA-N 266.253 1.273 5 30 CDBC Cc1cc(Cl)c(S(N)(=O)=O)cc1[N+](=O)[O-] 175851261 AGZVJKFFFCZEIC-UHFFFAOYSA-N 250.663 1.204 5 30 CDBC Cc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C 161540 VEAHLOKWQPAIHN-UHFFFAOYSA-N 255.277 1.094 5 30 CDBC Nc1c(I)ccc(F)c1[N+](=O)[O-] 575727957 WYXIWLUMYMXFNK-UHFFFAOYSA-N 282.012 1.921 5 30 CDBC CCc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C 88256 WAHQCVIKEUUHID-UHFFFAOYSA-N 269.304 1.348 5 30 CDBC Cc1nn(-c2ccc([N+](=O)[O-])cc2)[n+](-c2ccccc2)n1 44075758 HNNYUQIVFDBCGI-UHFFFAOYSA-N 282.283 1.761 5 30 CDBC O=[N+]([O-])c1cc(Br)cc2c1OCCNC2 2265385650 XHWMJWZVSSOKBX-UHFFFAOYSA-N 273.086 1.839 5 30 CDBC CCCS(=O)(=O)[C@@H](C#N)c1ccccc1[N+](=O)[O-] 170056 YNSNFLUSJIZAKQ-NSHDSACASA-N 268.294 1.984 5 30 CDBC CCOC(=O)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 5650612 OLVPQVSSWREGQN-UHFFFAOYSA-N 288.281 1.338 5 30 CDBC O=[N+]([O-])c1c(SCCO)ccc2nsnc12 4362002 VZWTTZJYSHWEOR-UHFFFAOYSA-N 257.296 1.684 5 30 CDBC N[C@@H](CC(=O)O)c1cc(Br)ccc1[N+](=O)[O-] 309313773 MYRARXQLHKBBPP-ZETCQYMHSA-N 289.085 1.832 5 30 CDBC CC(C)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1 36949034 FVTYVCCGZZUEHP-LLVKDONJSA-N 254.286 1.333 5 30 CDBC CCN(C[C@@H](O)C[N+](C)(C)C)c1ccccc1C 38615318 DIXROAMGSVHZKQ-CQSZACIVSA-N 251.394 1.888 5 30 CDBC O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[C@@H]1C=NC=N1 575281402 RHOGWBSXVRJKJE-QMMMGPOBSA-N 273.208 1.103 5 30 CDBC COC(=O)N1CCc2ccc(F)c([N+](=O)[O-])c2C1 2265362272 HEBYYRXXWYLBNH-UHFFFAOYSA-N 254.217 1.858 5 30 CDBC COc1cc(N2C[C@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-] 104250568 PYAPEERBRXYYPN-UWVGGRQHSA-N 265.313 1.790 5 30 CDBC CCN(CC[N+](C)(C)C[C@@H](C)O)c1ccccc1 2243608 VFZFVRAFKDQIEZ-CQSZACIVSA-N 251.394 1.970 5 30 CDBC CC(=O)Nc1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1 98920 PHQWJMBKBMPLIH-DGCLKSJQSA-N 277.280 1.241 5 30 CDBC CS(=O)(=O)Nc1ccc2oc3ncccc3c(=O)c2c1 1042515 GWMCXQJBCVKPNJ-UHFFFAOYSA-N 290.300 1.713 5 30 CDBC COC(=O)CCCOc1cc([N+](=O)[O-])c(C=O)cc1OC 37286735 IAYUODHBFOOQCA-UHFFFAOYSA-N 297.263 1.748 5 30 CDBC CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1 1605439 KGVQFUIYBAPYSK-UHFFFAOYSA-N 254.227 1.665 5 30 CDBC O=C(Cn1c(=O)oc2cccnc21)c1cccc([N+](=O)[O-])c1 4365752 CMHAJFVFONWJGC-UHFFFAOYSA-N 299.242 1.781 5 30 CDBC C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)N1 53711755 SGDDNVFDBUIQAT-DTORHVGOSA-N 253.277 1.921 5 30 CDBC CNC(=S)N1CCO[C@H]1c1ccc([N+](=O)[O-])s1 172644 YMDLZKGQILZIHX-QMMMGPOBSA-N 273.339 1.491 5 30 CDBC CCOC(=O)COc1ccc([N+](=O)[O-])c(C=O)c1 34143775 KXFQQSYKWNCRFW-UHFFFAOYSA-N 253.210 1.349 5 30 CDBC CCOC(=O)c1ccc(NC(=O)CC[N+](C)(C)C)cc1O 1855501 SAGOVCHVIPELNM-UHFFFAOYSA-O 295.359 1.604 5 30 CDBC CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100139903 CHAGGWKJBGUBBJ-UHFFFAOYSA-N 256.174 1.477 5 30 CDBC COc1cc([N+](=O)[O-])c(Br)nc1OC 95938317 FVBNYAYTCCNKSG-UHFFFAOYSA-N 263.047 1.770 5 30 CDBC COC(=O)N1CCc2ccc(N)c([N+](=O)[O-])c2C1 2265362286 ZUCKPPZTJOFWSK-UHFFFAOYSA-N 251.242 1.302 5 30 CDBC CO[C@@H]1C[C@@H](C(=O)O)N(c2ccccc2[N+](=O)[O-])C1 19505957 SMFDPJLOTPZNTH-KCJUWKMLSA-N 266.253 1.273 5 30 CDBC Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C 34064627 SEHIHXCTAZRBJE-UHFFFAOYSA-N 255.277 1.343 5 30 CDBC CC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)s1 4349723 ONTYHYAVSBKNQT-UHFFFAOYSA-N 256.283 1.696 5 30 CDBC CCc1nc(N)nc(N)c1-c1ccc(F)c([N+](=O)[O-])c1 3646527 WZOOFTLTBYMEDU-UHFFFAOYSA-N 277.259 1.918 5 30 CDBC O=[N+]([O-])c1ccc(OCCCS(=O)(=O)O)cc1 33605036 AJJHQLACRXQNLK-UHFFFAOYSA-N 261.255 1.252 5 30 CDBC CC1(C)C[C@H](NC(=O)c2coc([N+](=O)[O-])c2)C(=O)O1 1852807 LVFNBLBWBSMCHK-ZETCQYMHSA-N 268.225 1.012 5 30 CDBC COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)n1 132362 KDVGXXBOCUFNTQ-UHFFFAOYSA-N 294.288 1.831 5 30 CDBC COC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](C)C(=O)OC 238856193 VHXZLVZTZZPHMC-ZETCQYMHSA-N 282.252 1.355 5 30 CDBC Cc1nn(-c2ccccc2)c(N2CCOCC2)c1[N+](=O)[O-] 4301180 SKWIIQGKDQWVHN-UHFFFAOYSA-N 288.307 1.926 5 30 CDBC COC(=O)c1cc([N+](=O)[O-])cnc1Br 238367214 UCNZBIHVYFGKAW-UHFFFAOYSA-N 261.031 1.539 5 30 CDBC O=[N+]([O-])c1cc(S(=O)(=O)O)c2ccccc2c1O 33606139 XSXPMEFGYQQBHC-UHFFFAOYSA-N 269.234 1.700 5 30 CDBC O=C(O)/C=C/c1ccnc(Br)c1[N+](=O)[O-] 396151436 LNDYALGZAHVUDK-OWOJBTEDSA-N 273.042 1.850 5 30 CDBC Cc1ccc([N+](=O)[O-])cc1B(O)OC(C)(C)C(C)(C)O 261361147 RKIAXIUQUJFFIK-UHFFFAOYSA-N 281.117 1.157 5 30 CDBC Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2[nH]cnc12 95902521 LNLVLKGOVNENAN-UHFFFAOYSA-N 256.225 1.510 5 30 CDBC COC(=O)c1ccc([N+](=O)[O-])c(Br)n1 306607699 USAHSBLHKLEHCK-UHFFFAOYSA-N 261.031 1.539 5 30 CDBC CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O 50649778 OYFSZLRULIWKME-UHFFFAOYSA-N 259.287 1.064 5 30 CDBC in-vitro COC(=O)c1ccnc(Br)c1[N+](=O)[O-] 238410800 QRJJWDZQRDIOSE-UHFFFAOYSA-N 261.031 1.539 5 30 CDBC CN(C)/C=C/c1cc(S(C)(=O)=O)ccc1[N+](=O)[O-] 95642754 VRBBFBCVGJDZMW-VOTSOKGWSA-N 270.310 1.531 5 30 CDBC CCOC(=O)c1c(C)nn(-c2ncccc2[N+](=O)[O-])c1C 110353 IQLIOQQDNDZKPZ-UHFFFAOYSA-N 290.279 1.969 5 30 CDBC COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(OC)c1C(=O)O 3139054 MCXWCHWYDUPCIT-UHFFFAOYSA-N 272.169 1.218 5 30 CDBC CC(=O)Nc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1 98916 PHQWJMBKBMPLIH-YPMHNXCESA-N 277.280 1.241 5 30 CDBC Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] 200324103 NWCHINZPEWKSLE-UHFFFAOYSA-N 281.117 1.157 5 30 CDBC O=[N+]([O-])c1cc(Cl)cc(S(=O)(=O)O)c1O 2562562 BBEOLFRJEBVKDW-UHFFFAOYSA-N 253.619 1.201 5 30 CDBC CCOC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])o2)o1 161591 CVZRZRSPVVJOLS-UHFFFAOYSA-N 299.264 1.893 5 30 CDBC O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1Cl 6091135 CMKHZJCLDSYCNP-UHFFFAOYSA-N 282.617 1.403 5 30 CDBC CCOC(=N)[C@H](O)c1cc([N+](=O)[O-])ccc1OC 39135031 ACOCUZDWRQNDJH-SNVBAGLBSA-N 254.242 1.651 5 30 CDBC CC(=O)Nc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1 98910 PHQWJMBKBMPLIH-AAEUAGOBSA-N 277.280 1.241 5 30 CDBC COc1cc([N+](=O)[O-])c(C(=O)O)c(Cl)c1OC 39953790 MAPUDOAYRIZUCU-UHFFFAOYSA-N 261.617 1.964 5 30 CDBC COc1ccc2c3cc[n+]([O-])c4ccc(=O)n(c2c1)c34 14445205 IADUHWGVUSHTRQ-UHFFFAOYSA-N 266.256 1.686 5 30 CDBC biogenic,in-vitro COC(=O)c1cc2c(cc1[N+](=O)[O-])OC(F)(F)O2 575141515 CUQBFUWRBDUPHF-UHFFFAOYSA-N 261.136 1.703 5 30 CDBC Nc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cc1 1748410 CUQVCKJPCJQAMP-UHFFFAOYSA-N 256.225 1.306 5 30 CDBC CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](O)C[N+](=O)[O-] 91352948 AWYKPQQEGGXZIY-DTWKUNHWSA-N 260.290 1.024 5 30 CDBC CS(=O)(=O)c1cc([N+](=O)[O-])c(Br)s1 90225762 ZTBILLQOENEBFP-UHFFFAOYSA-N 286.128 1.822 5 30 CDBC Cc1ccc(OCCCS(=O)(=O)O)c([N+](=O)[O-])c1 33606890 USOXFCZQOCMJEH-UHFFFAOYSA-N 275.282 1.560 5 30 CDBC O=C(O[C@H]1CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 135975 RAIALHYEHNJLIA-ZDUSSCGKSA-N 276.292 1.846 5 30 CDBC CC(C)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1 36949033 FVTYVCCGZZUEHP-NSHDSACASA-N 254.286 1.333 5 30 CDBC CCOC(=N)[C@@H](O)c1cc([N+](=O)[O-])ccc1OC 39135032 ACOCUZDWRQNDJH-JTQLQIEISA-N 254.242 1.651 5 30 CDBC CN(C)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 71097 YVSBLAPUSBPZKE-UHFFFAOYSA-N 285.259 1.821 5 30 CDBC O=[N+]([O-])c1ccc2c3c(cccc13)S(=O)(=O)O2 1649495 LBUZGRSPGBLKCS-UHFFFAOYSA-N 251.219 1.829 5 30 CDBC Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2c(C)c1C 3648015 SNXWLADGMUSAQF-UHFFFAOYSA-N 284.319 1.057 5 30 CDBC CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 1040976 VSDNDBHGNUIWJT-UHFFFAOYSA-N 295.114 1.265 5 30 CDBC C[N+](C)([O-])CCc1c[nH]c2ccc(Cn3cncn3)cc12 22066457 DQTBNOJGXNZYDG-UHFFFAOYSA-N 285.351 1.924 5 30 CDBC in-vitro C=CC(=O)NCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16697715 SUVWVEQQAZBFCQ-UHFFFAOYSA-N 265.225 1.348 5 30 CDBC NCCCc1ncc(Br)cc1[N+](=O)[O-] 604934432 QQSGGAAWOXJCLR-UHFFFAOYSA-N 260.091 1.644 5 30 CDBC O=C(O)c1ccc2c(c1)[n+](=O)c1ccccc1n2O 585139002 QWNRBSBYKCMETA-UHFFFAOYSA-O 257.225 1.645 5 30 CDBC O=C1N[C@@H](c2ccccn2)Nc2ccc([N+](=O)[O-])cc21 4299778 WHXOFNBIVXUROP-LBPRGKRZSA-N 270.248 1.844 5 30 CDBC Cc1ccc2c(=O)n3nc(C(=O)O)ccc3nc2c1 21300095 PSXZNTKVVMANNS-UHFFFAOYSA-N 255.233 1.249 5 30 CDBC COc1cc(N)cc([N+](=O)[O-])c1I 575728075 NYAMJVRIZDMRMF-UHFFFAOYSA-N 294.048 1.790 5 30 CDBC Cn1nccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 116541 IOJFAOOESHEWSE-UHFFFAOYSA-N 261.241 1.972 5 30 CDBC CCCCOc1nnnn1-c1ccc([N+](=O)[O-])cc1 5792950 UDIWXIQZACMLBU-UHFFFAOYSA-N 263.257 1.749 5 30 CDBC Cc1cc([N+](=O)[O-])c(N2CCC[C@H]2C(=O)O)c([N+](=O)[O-])c1 6545684 VZDCWVDXVPXQSO-QMMMGPOBSA-N 295.251 1.865 5 30 CDBC NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)s1 4363503 LAGBFGPPUHMQRW-UHFFFAOYSA-N 291.354 1.294 5 30 CDBC O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCO 4323146 QKFCZKSDIIXNBZ-UHFFFAOYSA-N 251.160 1.985 5 30 CDBC O=C(O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 3750244 ZLOBQXWGARMELH-LLVKDONJSA-N 264.281 1.891 5 30 CDBC O=[N+]([O-])c1cnc(N2CCOCC2)c(C(F)(F)F)c1 19925041 METKZYKSUBQDFJ-UHFFFAOYSA-N 277.202 1.845 5 30 CDBC COC(=O)CSc1ccc([N+](=O)[O-])cc1C(=O)OC 29300977 PJPCSHBTNKBEBS-UHFFFAOYSA-N 285.277 1.647 5 30 CDBC O=C(O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2387198 DYDFGNHHYHDJLU-QMMMGPOBSA-N 253.210 1.313 5 30 CDBC in-vitro Cc1c(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)n(C)oc1=O 121841 QPSUWLOUVAMQKN-UHFFFAOYSA-N 292.207 1.505 5 30 CDBC CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C2 100247678 GIIYNQKTYHZSAK-KBPBESRZSA-N 289.335 1.950 5 30 CDBC O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CC[C@H]2CC(=O)N12 14619011 RANULWNCMYIEGJ-NSHDSACASA-N 288.259 1.527 5 30 CDBC O=C(O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 3750246 ZLOBQXWGARMELH-NSHDSACASA-N 264.281 1.891 5 30 CDBC NCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4305973 PGYPKWYXBKLRFP-UHFFFAOYSA-N 294.189 1.892 5 30 CDBC O=[N+]([O-])c1ccc2c(ccn2[C@H]2C[C@H](O)[C@@H](CO)O2)c1 43771738 ODPRBLIUAVWXNM-YNEHKIRRSA-N 278.264 1.190 5 30 CDBC COC(=O)c1c(NC(C)=O)sc([N+](=O)[O-])c1C 4344373 RRJJESGMINWAAK-UHFFFAOYSA-N 258.255 1.710 5 30 CDBC COc1cc(N2C[C@@H](C)N[C@H](C)C2)ccc1[N+](=O)[O-] 104250571 PYAPEERBRXYYPN-NXEZZACHSA-N 265.313 1.790 5 30 CDBC CCOC(=O)c1c(-n2nccn2)cccc1[N+](=O)[O-] 1857793004 CCGTTYWAGKLEMV-UHFFFAOYSA-N 262.225 1.352 5 30 CDBC COc1ccc2nc3c(C=O)cn(C)c(=O)c3cc2c1 3886836 FLRUDYCWVAOHTD-UHFFFAOYSA-N 268.272 1.908 5 30 CDBC N=C1SCCN1CC(=O)c1cccc([N+](=O)[O-])c1 33607386 FQZICXNEDHUJQD-UHFFFAOYSA-N 265.294 1.761 5 30 CDBC CCOC(=O)c1c(N)c2cc([N+](=O)[O-])ccc2n1C 4307554 AHXILCQFCOYUEH-UHFFFAOYSA-N 263.253 1.845 5 30 CDBC O=C1C[C@@H](c2ccc(Br)cc2[N+](=O)[O-])CN1 687746594 OCHKPVLPPYVAIR-ZCFIWIBFSA-N 285.097 1.961 5 30 CDBC O=[N+]([O-])c1cc2c(c(CSCCO)c1)OCOC2 4390119 MKNDTMCWOPHRLJ-UHFFFAOYSA-N 271.294 1.687 5 30 CDBC Cc1ccc(N2CCCS2(=O)=O)cc1[N+](=O)[O-] 2265385803 XAHIYTDGQKQGCL-UHFFFAOYSA-N 256.283 1.443 5 30 CDBC O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1 20373459 BWQSMAOIGFTADH-VIFPVBQESA-N 253.283 1.196 5 30 CDBC CS(=O)(=O)n1ccc(-c2cccc([N+](=O)[O-])c2)n1 125357 RCWMVOXZKRAPQA-UHFFFAOYSA-N 267.266 1.266 5 30 CDBC O=C(O)c1ccc2nc3ccc(Cl)cc3c(=O)n2n1 21300086 NKSPRSVGFIUOHW-UHFFFAOYSA-N 275.651 1.594 5 30 CDBC O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CC(=O)N12 96341743 PLSFYPSJISYVHT-NEPJUHHUSA-N 290.275 1.401 5 30 CDBC CCOC(=O)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 95496233 FNOPSUREKDPFEO-UHFFFAOYSA-N 270.197 1.314 5 30 CDBC COC(=O)C=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)OC 2265271899 CGQGMMOPLVKRTB-UHFFFAOYSA-N 280.236 1.237 5 30 CDBC O=[N+]([O-])c1cc(-c2n[nH]c(CO)n2)ccc1Br 2265385036 REAYEBFNEXWVTR-UHFFFAOYSA-N 299.084 1.635 5 30 CDBC CC(C)(C)OC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 34602168 WFXHVZZCTZMYSA-NSHDSACASA-N 266.297 1.806 5 30 CDBC CN(C)c1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-] 4300022 YVOWJOOLCCURTF-UHFFFAOYSA-N 269.276 1.637 5 30 CDBC CSc1nc(=O)[nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100400016 ODNXQRLUYNYHTN-UHFFFAOYSA-N 297.252 1.099 5 30 CDBC Nc1c(I)cncc1[N+](=O)[O-] 95626759 GJYGOVTVBJLGNE-UHFFFAOYSA-N 265.010 1.177 5 30 CDBC in-vitro NC(=O)c1cccc([N+](=O)[O-])c1I 34400971 NZBUMQONDVMPDO-UHFFFAOYSA-N 292.032 1.298 5 30 CDBC Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1 161545 SSVJNZOAOCJXRV-UHFFFAOYSA-N 255.277 1.094 5 30 CDBC O=C(O[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 135984 MZUQHOMDMKXMHB-ZDUSSCGKSA-N 276.292 1.846 5 30 CDBC O=C1CCCN1CCOc1ccc([N+](=O)[O-])cc1 71261347 MMZNWAYUIBMENR-UHFFFAOYSA-N 250.254 1.596 5 30 CDBC O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 6883310 FRTPHDWLQSBFKN-BDAKNGLRSA-N 250.210 1.254 5 30 CDBC Cc1cc2cc3c(=O)n(C)c(=O)n(C)c3nc2cc1C 135999 YFXOUTYVPCSYTR-UHFFFAOYSA-N 269.304 1.402 5 30 CDBC O=c1[nH]c2ccccc2c2nc3c(O)cccn3c(=O)c12 238790903 VZNUBSHDBLWKFM-UHFFFAOYSA-N 279.255 1.395 5 30 CDBC Cn1c(Br)nc(Br)c1[N+](=O)[O-] 95932277 XEJACQVJEGDLEY-UHFFFAOYSA-N 284.895 1.853 5 30 CDBC CN1Cc2c(Br)ccc([N+](=O)[O-])c2C1=O 98180696 XLPCFZWYPADLOO-UHFFFAOYSA-N 271.070 1.943 5 30 CDBC CN1CCN(c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 504817312 BHKSBPCQFNMIGJ-UHFFFAOYSA-N 265.269 1.045 5 30 CDBC C[N+]1(c2nc(O)nc([N+]3(C)CCCCC3)n2)CCCCC1 33986518 BTEJVXVQVGWZPU-UHFFFAOYSA-O 293.415 1.819 5 30 CDBC CN1CCN(c2ccc(C(=O)O)c([N+](=O)[O-])c2)CC1 72266168 CUPIQIZTPWFYOK-UHFFFAOYSA-N 265.269 1.045 5 30 CDBC Nc1ccc(C(=O)O)c2[nH]c3ccccc3c(=O)c12 5546035 FUOBYFDEHGFQDU-UHFFFAOYSA-N 254.245 1.962 5 30 CDBC O=C(O[C@@H]1CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 135977 RAIALHYEHNJLIA-CYBMUJFWSA-N 276.292 1.846 5 30 CDBC COc1cc([N+](=O)[O-])c(NC(C)=O)cc1[N+](=O)[O-] 4321889 CMYGXBVASMFDBY-UHFFFAOYSA-N 255.186 1.470 5 30 CDBC CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 38039581 RFRBWWPKPMEFTI-UHFFFAOYSA-N 295.114 1.265 5 30 CDBC N=C1SCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 38635211 HUXFDEDCBFPIJQ-JTQLQIEISA-N 267.310 1.612 5 30 CDBC O=C(O)[C@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 6883317 FRTPHDWLQSBFKN-IUCAKERBSA-N 250.210 1.254 5 30 CDBC COC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 36532767 NDZYRKDQBWLBHP-SECBINFHSA-N 251.242 1.132 5 30 CDBC CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](O)C[N+](=O)[O-] 91352945 AWYKPQQEGGXZIY-RKDXNWHRSA-N 260.290 1.024 5 30 CDBC COc1nc(Br)cn2c([N+](=O)[O-])cnc12 39127407 MNPYUWJIERDNCF-UHFFFAOYSA-N 273.046 1.409 5 30 CDBC CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(F)(F)O2 22057459 CAEOZURPACAVKU-UHFFFAOYSA-N 260.152 1.875 5 30 CDBC in-vitro CCC(Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(=O)O 95348146 UCCITSTWEGGIML-UHFFFAOYSA-N 267.237 1.703 5 30 CDBC in-vitro Cc1ccc(S(=O)(=O)c2c([N+](=O)[O-])ncn2C)cc1 5634871 DWIFYVQUMRFIPP-UHFFFAOYSA-N 281.293 1.470 5 30 CDBC O=[N+]([O-])c1ccc(Cl)c(NC(=S)NCCO)c1 33606777 ZGUNZPSUOXRQQH-UHFFFAOYSA-N 275.717 1.527 5 30 CDBC COC(=O)CCCOc1cc([N+](=O)[O-])c(CO)cc1OC 34536276 UNUSEGQOHRKQGW-UHFFFAOYSA-N 299.279 1.428 5 30 CDBC CCOC(=O)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 5857981 RWGUGNHDBXRLSD-UHFFFAOYSA-N 263.205 1.878 5 30 CDBC O=C1N[C@H](c2ccccn2)Nc2ccc([N+](=O)[O-])cc21 4299777 WHXOFNBIVXUROP-GFCCVEGCSA-N 270.248 1.844 5 30 CDBC O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[C@H]1C=NC=N1 575281401 RHOGWBSXVRJKJE-MRVPVSSYSA-N 273.208 1.103 5 30 CDBC COCCOC(=O)CCNc1cc([N+](=O)[O-])ccc1OC 5141089 DYSWWFSUVZDAHO-UHFFFAOYSA-N 298.295 1.595 5 30 CDBC NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 216656609 DZBGGKPVHZIMQL-UHFFFAOYSA-N 254.626 1.035 5 30 CDBC CC(=O)Nc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-] 4299994 SAVUYXNZIAAXGX-UHFFFAOYSA-N 283.259 1.529 5 30 CDBC O=C(O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)o1 2564939 XLICFCSVTUOYFY-UHFFFAOYSA-N 285.237 1.805 5 30 CDBC Cn1c(=O)c2cc3ccc(Cl)cc3nc2n(C)c1=O 135994 CCTLAZHHHXZZNB-UHFFFAOYSA-N 275.695 1.439 5 30 CDBC COC(=O)[C@@H](N)Cc1ccc(Cl)cc1[N+](=O)[O-] 44327462 LCJQUKSBKMHWQA-QMMMGPOBSA-N 258.661 1.291 5 30 CDBC CCCS(=O)(=O)[C@H](C#N)c1ccccc1[N+](=O)[O-] 170059 YNSNFLUSJIZAKQ-LLVKDONJSA-N 268.294 1.984 5 30 CDBC CCOC(=O)c1cc(=O)n(C)c2c1c(=O)oc1ccccc12 174014 WWSGSJLRYYGJBS-UHFFFAOYSA-N 299.282 1.822 5 30 CDBC CS(=O)(=O)Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1 113093 SHDRSOIFRPHDIM-UHFFFAOYSA-N 283.265 1.189 5 30 CDBC CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100327805 JRLUWLIIVKSPPT-UHFFFAOYSA-N 256.174 1.843 5 30 CDBC O=C(O)CCNc1ccc([N+](=O)[O-])cc1C(=O)O 95934999 OBKBSPFLPJRKES-UHFFFAOYSA-N 254.198 1.180 5 30 CDBC CCOC(=O)NCc1ccc(Cl)nc1[N+](=O)[O-] 207187885 BWVSZUDTCOQLGN-UHFFFAOYSA-N 259.649 1.889 5 30 CDBC O=[N+]([O-])c1ccc(C2CCNCC2)c([N+](=O)[O-])c1 71603175 NZFXVQUVZFBRKL-UHFFFAOYSA-N 251.242 1.970 5 30 CDBC NC(=O)c1c(F)cc([N+](=O)[O-])cc1Br 307114549 SMUVCQQPKGRLIZ-UHFFFAOYSA-N 263.022 1.595 5 30 CDBC C[N+](C)(C)CCO[P@@](=O)(O)OCCCCCC(=O)O 22065877 QOEUIJHOOHSYPA-UHFFFAOYSA-O 298.296 1.471 5 30 CDBC in-vitro COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O 35160001 BCIFKXRNBNMXBH-UHFFFAOYSA-N 285.277 1.948 5 30 CDBC CNC(=S)N1CCO[C@@H]1c1ccc([N+](=O)[O-])s1 172645 YMDLZKGQILZIHX-MRVPVSSYSA-N 273.339 1.491 5 30 CDBC Cc1cc([N+](=O)[O-])c(Cl)c(S(N)(=O)=O)c1 82643159 PQMDQFNDBAAYBJ-UHFFFAOYSA-N 250.663 1.204 5 30 CDBC O=C(NCc1ccco1)NC(=O)c1csc([N+](=O)[O-])c1 4323496 HSOQMFBARXMOTD-UHFFFAOYSA-N 295.276 1.889 5 30 CDBC CC[N+](C)(C)CCOCCOCC[N+](C)(C)CC 1851692 WNKKNQXUJYMKQS-UHFFFAOYSA-N 262.438 1.212 5 30 CDBC O=[N+]([O-])c1cc2ccccc2c(S(=O)(=O)O)c1[N+](=O)[O-] 33606163 NMMHJWYKFNBEFR-UHFFFAOYSA-N 298.232 1.903 5 30 CDBC CC(=O)Nc1ccc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1 98912 PHQWJMBKBMPLIH-WCQYABFASA-N 277.280 1.241 5 30 CDBC Nc1cc(Br)cc([N+](=O)[O-])c1C(=O)O 44184908 LVSDQVYGRCBVCK-UHFFFAOYSA-N 261.031 1.638 5 30 CDBC in-vitro Cn1nncc1-c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 95842498 PVYDWLAWQPBHFH-UHFFFAOYSA-N 272.220 1.497 5 30 CDBC O=[N+]([O-])c1ccc2c(S(=O)(=O)O)cc3onnc3c2c1 1847738 SQHJNWIFJGDCQA-UHFFFAOYSA-N 295.232 1.531 5 30 CDBC CC(C)CNC(=S)NC(=O)c1csc([N+](=O)[O-])c1 4323509 MOUCKFMDANGNKQ-UHFFFAOYSA-N 287.366 1.917 5 30 CDBC CCOc1nc(OCC)nc([N+]2(C)CCCCC2)n1 33985963 QWHQSELIGATXJS-UHFFFAOYSA-N 267.353 1.790 5 30 CDBC Nc1cc(CC(=O)O)c(Br)cc1[N+](=O)[O-] 575714237 FXXBHAQWELVBSS-UHFFFAOYSA-N 275.058 1.567 5 30 CDBC CCN(CC[N+](C)(C)C[C@H](C)O)c1ccccc1 38635428 VFZFVRAFKDQIEZ-AWEZNQCLSA-N 251.394 1.970 5 30 CDBC O=C1CNC(=O)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 37403833 NXACJYGIFDHMBY-UHFFFAOYSA-N 269.644 1.300 5 30 CDBC in-vitro Cc1nn(C)c(Sc2ncccn2)c1[N+](=O)[O-] 142785 YKPXODHFHZBSBT-UHFFFAOYSA-N 251.271 1.578 5 30 CDBC O=[N+]([O-])c1cc(Br)cnc1N1CCC1 39325841 JSWZPSKOZMRRLS-UHFFFAOYSA-N 258.075 1.962 5 30 CDBC COc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1[N+](=O)[O-] 104250563 PYAPEERBRXYYPN-AOOOYVTPSA-N 265.313 1.790 5 30 CDBC Cn1cnc([N+](=O)[O-])c1NC1Cc2ccccc2C1 4302270 SVVXGHGLHFKJCD-UHFFFAOYSA-N 258.281 1.908 5 30 CDBC Nc1nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 17862001 LZVNQLGVJNAKHH-UHFFFAOYSA-N 282.241 1.355 5 30 CDBC Nc1ccc([N+](=O)[O-])c(I)c1 98095480 GPQHHZUJAXUAET-UHFFFAOYSA-N 264.022 1.782 5 30 CDBC Nc1nc(Br)c(Cl)cc1[N+](=O)[O-] 299889621 LWEOSQGKWLNBHG-UHFFFAOYSA-N 252.455 1.988 5 30 CDBC O=C1Cc2cc([N+](=O)[O-])c(Br)cc2N1 14985974 ODXRNFSDBWGNEG-UHFFFAOYSA-N 257.043 1.852 5 30 CDBC O=[N+]([O-])c1cccc(C2=NN[C@](O)(C(F)(F)F)C2)c1 146940 LMCTXRWYCBBHOS-SECBINFHSA-N 275.186 1.543 5 30 CDBC O=[N+]([O-])c1cc(S(=O)(=O)O)cc(Cl)c1O 2562563 VMHPZSMLWXYABA-UHFFFAOYSA-N 253.619 1.201 5 30 CDBC O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccn1 39136284 MXQMGCHGGQTRII-UHFFFAOYSA-N 272.216 1.919 5 30 CDBC COC(=O)c1nn(Cc2ccc(OC)cc2)cc1[N+](=O)[O-] 34789605 HZBPUYRYHAXMPC-UHFFFAOYSA-N 291.263 1.635 5 30 CDBC Cc1cc(NC(=O)/C=C\C(=O)O)c([N+](=O)[O-])cc1C 33363560 ONTMQGIJPCFGIS-ARJAWSKDSA-N 264.237 1.791 5 30 CDBC CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])o2)no1 118518 CXJAPNPWEFVZHT-UHFFFAOYSA-N 253.170 1.415 5 30 CDBC