smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000299558223 188395836 /nfs/dbraw/zinc/39/58/36/188395836.db2.gz MOBWRLDCTHHYHJ-JTQLQIEISA-N 0 2 237.215 0.361 20 5 BCBDLN O=C(Nc1nc[nH]n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000023141380 182397911 /nfs/dbraw/zinc/39/79/11/182397911.db2.gz GZRJUCGWFZXPAC-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000127373785 383979439 /nfs/dbraw/zinc/97/94/39/383979439.db2.gz ZZLDBRUWIGYHQF-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181873885 385843940 /nfs/dbraw/zinc/84/39/40/385843940.db2.gz ZETOVERINSBYKD-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN CN(CCO)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272403150 385900043 /nfs/dbraw/zinc/90/00/43/385900043.db2.gz XJILXIYSKJTGRC-UHFFFAOYSA-N 0 2 240.215 0.365 20 5 BCBDLN O=c1[nH]nc(CNc2ncccc2[N+](=O)[O-])[nH]1 ZINC000301585931 388596522 /nfs/dbraw/zinc/59/65/22/388596522.db2.gz VMXCGMVKWPGOSO-UHFFFAOYSA-N 0 2 236.191 0.013 20 5 BCBDLN C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nnc[nH]1 ZINC000853225381 588727244 /nfs/dbraw/zinc/72/72/44/588727244.db2.gz NUJDPHCLKIIQGT-KVQBGUIXSA-N 0 2 226.192 0.074 20 5 BCBDLN O=C(NOCC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856343801 588868334 /nfs/dbraw/zinc/86/83/34/588868334.db2.gz ADKPJRUYTJETAZ-HTQZYQBOSA-N 0 2 214.221 0.500 20 5 BCBDLN CONC(=O)CNc1ccc([N+](=O)[O-])s1 ZINC000896196094 583782202 /nfs/dbraw/zinc/78/22/02/583782202.db2.gz WMNOIDCOQNFGSN-UHFFFAOYSA-N 0 2 231.233 0.746 20 5 BCBDLN CONC(=O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000896195845 583782298 /nfs/dbraw/zinc/78/22/98/583782298.db2.gz UOWBCVOOQBNEHL-UHFFFAOYSA-N 0 2 239.231 0.993 20 5 BCBDLN CONC(=O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000896193912 583783060 /nfs/dbraw/zinc/78/30/60/583783060.db2.gz ILHFPMAWQMXNQJ-UHFFFAOYSA-N 0 2 239.231 0.993 20 5 BCBDLN CSc1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000839607791 585331796 /nfs/dbraw/zinc/33/17/96/585331796.db2.gz KCOIKGJIEMHSHJ-QWWZWVQMSA-N 0 2 243.248 0.130 20 5 BCBDLN CSc1n[nH]c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000839607791 585331797 /nfs/dbraw/zinc/33/17/97/585331797.db2.gz KCOIKGJIEMHSHJ-QWWZWVQMSA-N 0 2 243.248 0.130 20 5 BCBDLN O=C(Nc1nc(C2CC2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839685601 585334964 /nfs/dbraw/zinc/33/49/64/585334964.db2.gz RRACLPHVUBYNST-PHDIDXHHSA-N 0 2 238.203 0.551 20 5 BCBDLN O=C(Nc1cc2ccccn2n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839762672 585338991 /nfs/dbraw/zinc/33/89/91/585338991.db2.gz UNMKZUHWQIQUOZ-RKDXNWHRSA-N 0 2 246.226 0.938 20 5 BCBDLN Cc1cc(C)nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000841019888 587935156 /nfs/dbraw/zinc/93/51/56/587935156.db2.gz HGGMLPBECCFFGZ-HTQZYQBOSA-N 0 2 236.231 0.697 20 5 BCBDLN O=C(Nc1cccc(F)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841182754 587948230 /nfs/dbraw/zinc/94/82/30/587948230.db2.gz JAJCDDNDLCUFPZ-PHDIDXHHSA-N 0 2 225.179 0.824 20 5 BCBDLN CCONC(=O)CNc1cccnc1[N+](=O)[O-] ZINC000845715750 588242307 /nfs/dbraw/zinc/24/23/07/588242307.db2.gz PILHIDWWMUQTEW-UHFFFAOYSA-N 0 2 240.219 0.469 20 5 BCBDLN CONC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000049423325 643073869 /nfs/dbraw/zinc/07/38/69/643073869.db2.gz RSTVLTHVODYYKW-UHFFFAOYSA-N 0 2 225.204 0.684 20 5 BCBDLN CCS(=O)(CC)=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000925873023 646523786 /nfs/dbraw/zinc/52/37/86/646523786.db2.gz DOOYXKVBQONVIK-RNFRBKRXSA-N 0 2 234.277 0.686 20 5 BCBDLN CCS(=O)(CC)=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000925873023 646523788 /nfs/dbraw/zinc/52/37/88/646523788.db2.gz DOOYXKVBQONVIK-RNFRBKRXSA-N 0 2 234.277 0.686 20 5 BCBDLN Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000112703236 398147580 /nfs/dbraw/zinc/14/75/80/398147580.db2.gz LJGHYAYJNWEEQO-UHFFFAOYSA-N 0 2 236.191 0.602 20 5 BCBDLN O=C(NCCF)c1ccc([N+](=O)[O-])cc1O ZINC000437695113 201370266 /nfs/dbraw/zinc/37/02/66/201370266.db2.gz OLKIRYVLICWKPX-UHFFFAOYSA-N 0 2 228.179 1.000 20 5 BCBDLN Cn1cnc([N+](=O)[O-])c1Sc1n[nH]c(=O)[nH]1 ZINC000337945448 384153963 /nfs/dbraw/zinc/15/39/63/384153963.db2.gz SQFKHWLOIMAZRO-UHFFFAOYSA-N 0 2 242.220 0.303 20 5 BCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(O)C1 ZINC000188075564 384808732 /nfs/dbraw/zinc/80/87/32/384808732.db2.gz HKUJVDBIPFFERV-UHFFFAOYSA-N 0 2 238.199 0.117 20 5 BCBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn[nH]n1 ZINC000186016175 387494229 /nfs/dbraw/zinc/49/42/29/387494229.db2.gz HNSWKQKMNCCWMH-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN O=C(Nc1cc[nH]n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351590794 412358349 /nfs/dbraw/zinc/35/83/49/412358349.db2.gz ZAACZEJRKYTCAM-UHFFFAOYSA-N 0 2 248.198 1.276 20 5 BCBDLN CN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000127195171 172753026 /nfs/dbraw/zinc/75/30/26/172753026.db2.gz DKCBPADDYFCCFF-UHFFFAOYSA-N 0 2 240.215 0.365 20 5 BCBDLN CN1CC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000298783716 488075365 /nfs/dbraw/zinc/07/53/65/488075365.db2.gz MKZVSVPJOUXSDS-JTQLQIEISA-N 0 2 237.215 0.361 20 5 BCBDLN O=C(Nc1nc(C2CC2)c[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839763392 585339005 /nfs/dbraw/zinc/33/90/05/585339005.db2.gz OEFGLZVDAGRDDE-HTRCEHHLSA-N 0 2 236.231 0.891 20 5 BCBDLN CSCCONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839750211 585340475 /nfs/dbraw/zinc/34/04/75/585340475.db2.gz LPFNGXRCLANGTD-PHDIDXHHSA-N 0 2 220.250 0.062 20 5 BCBDLN CCc1cnccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840346894 586818227 /nfs/dbraw/zinc/81/82/27/586818227.db2.gz ODHAUQGWISADAR-PSASIEDQSA-N 0 2 235.243 0.670 20 5 BCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2ncccc21 ZINC000840379709 586951616 /nfs/dbraw/zinc/95/16/16/586951616.db2.gz PDSQWSVMNBZMTQ-VXNVDRBHSA-N 0 2 249.226 0.472 20 5 BCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccncc21 ZINC000840413909 587100096 /nfs/dbraw/zinc/10/00/96/587100096.db2.gz IJXIRSIGKVFGQZ-RKDXNWHRSA-N 0 2 233.227 0.636 20 5 BCBDLN CCc1coc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000847015709 588301428 /nfs/dbraw/zinc/30/14/28/588301428.db2.gz UHRAIAXEACRZLW-RNFRBKRXSA-N 0 2 225.204 0.841 20 5 BCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccon1 ZINC000892459247 632730369 /nfs/dbraw/zinc/73/03/69/632730369.db2.gz VVVWFGJSOBCNRE-PHDIDXHHSA-N 0 2 211.177 0.303 20 5 BCBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC1 ZINC000597724265 348792070 /nfs/dbraw/zinc/79/20/70/348792070.db2.gz QVKFRWVOQXQLOW-UHFFFAOYSA-N 0 2 238.199 0.730 20 5 BCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC1 ZINC000597725476 348792634 /nfs/dbraw/zinc/79/26/34/348792634.db2.gz WURROYWVSKBFBS-UHFFFAOYSA-N 0 2 238.199 0.730 20 5 BCBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000361656272 182359349 /nfs/dbraw/zinc/35/93/49/182359349.db2.gz RWTYFZKEZGYRHT-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129197282 385737502 /nfs/dbraw/zinc/73/75/02/385737502.db2.gz PNPIRDWOGZSRNW-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355710859 385803990 /nfs/dbraw/zinc/80/39/90/385803990.db2.gz FTDMFJRLTSHQMK-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN Cn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl ZINC000892964858 583022667 /nfs/dbraw/zinc/02/26/67/583022667.db2.gz GAUYCYINMFZGJI-INEUFUBQSA-N 0 2 244.638 0.677 20 5 BCBDLN Cc1[nH][nH]c(=O)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854633510 588798387 /nfs/dbraw/zinc/79/83/87/588798387.db2.gz VJAKOGVXLKGRFQ-RFZPGFLSSA-N 0 2 226.192 0.027 20 5 BCBDLN O=C(Nc1ccc(F)nc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841196741 583446393 /nfs/dbraw/zinc/44/63/93/583446393.db2.gz MMLOBYHCWVJJHC-INEUFUBQSA-N 0 2 243.169 0.964 20 5 BCBDLN Cn1cncc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000901988756 584509944 /nfs/dbraw/zinc/50/99/44/584509944.db2.gz TYMUTWGHQRMYNA-PHDIDXHHSA-N 0 2 235.203 0.603 20 5 BCBDLN CCCn1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839524070 585105648 /nfs/dbraw/zinc/10/56/48/585105648.db2.gz CRITVOWZLINOLQ-HTQZYQBOSA-N 0 2 238.247 0.897 20 5 BCBDLN O=C(Nc1cc(C2CC2)[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839573632 585330627 /nfs/dbraw/zinc/33/06/27/585330627.db2.gz DTAJKTZDTUXXKE-HTRCEHHLSA-N 0 2 236.231 0.891 20 5 BCBDLN COc1cccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839613688 585332252 /nfs/dbraw/zinc/33/22/52/585332252.db2.gz JGXIAHIDDSRLCA-RNFRBKRXSA-N 0 2 237.215 0.694 20 5 BCBDLN O=C(NN1CN=NC1=O)c1ccccc1[N+](=O)[O-] ZINC000777768136 585719906 /nfs/dbraw/zinc/71/99/06/585719906.db2.gz AGZDWNNDDROFPN-UHFFFAOYSA-N 0 2 249.186 0.276 20 5 BCBDLN CONC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788275511 585920527 /nfs/dbraw/zinc/92/05/27/585920527.db2.gz FWXNXHJZTUUOBI-UHFFFAOYSA-N 0 2 212.161 0.592 20 5 BCBDLN O=C(N=S1(=O)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000925904375 712709291 /nfs/dbraw/zinc/70/92/91/712709291.db2.gz RXYNNVKPDNTPLA-RNFRBKRXSA-N 0 2 232.261 0.440 20 5 BCBDLN O=C(N=S1(=O)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000925904375 712709293 /nfs/dbraw/zinc/70/92/93/712709293.db2.gz RXYNNVKPDNTPLA-RNFRBKRXSA-N 0 2 232.261 0.440 20 5 BCBDLN COCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000346838608 357161875 /nfs/dbraw/zinc/16/18/75/357161875.db2.gz ZHZCPFTYHFTKLP-UHFFFAOYSA-N 0 2 240.215 0.677 20 5 BCBDLN C[C@@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280837207 388786767 /nfs/dbraw/zinc/78/67/67/388786767.db2.gz UKKWNOZGYBQFEB-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN O=c1[nH]nc(CNc2sccc2[N+](=O)[O-])[nH]1 ZINC000302049174 388837012 /nfs/dbraw/zinc/83/70/12/388837012.db2.gz ZOLTUPMTLGOQBZ-UHFFFAOYSA-N 0 2 241.232 0.680 20 5 BCBDLN CCc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC000839688719 585335307 /nfs/dbraw/zinc/33/53/07/585335307.db2.gz SCWUKWQACSDLHM-RNFRBKRXSA-N 0 2 225.204 0.841 20 5 BCBDLN CCc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 ZINC000839683846 585336950 /nfs/dbraw/zinc/33/69/50/585336950.db2.gz QAQUCRZFJAQEAE-HTQZYQBOSA-N 0 2 238.247 0.586 20 5 BCBDLN O=C(Nc1nc2cc[nH]cc-2n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713498 585338130 /nfs/dbraw/zinc/33/81/30/585338130.db2.gz CAVVHWGNNZVFIB-SVGQVSJJSA-N 0 2 247.214 0.562 20 5 BCBDLN O=C(Nc1cnsn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000823849376 587242931 /nfs/dbraw/zinc/24/29/31/587242931.db2.gz UGMCSOVUKRIZHO-QWWZWVQMSA-N 0 2 214.206 0.142 20 5 BCBDLN O=C(Nc1ccn(CCF)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000828877870 587468340 /nfs/dbraw/zinc/46/83/40/587468340.db2.gz CPUAGNDKJGCCAH-RNFRBKRXSA-N 0 2 242.210 0.456 20 5 BCBDLN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 ZINC000841162430 587948053 /nfs/dbraw/zinc/94/80/53/587948053.db2.gz GUJBCIQXKANIFV-RKDXNWHRSA-N 0 2 249.226 0.888 20 5 BCBDLN CC(C)n1cnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000844735347 588215510 /nfs/dbraw/zinc/21/55/10/588215510.db2.gz GQLPMLMTMHXOTP-RNFRBKRXSA-N 0 2 239.235 0.463 20 5 BCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn(C)c1 ZINC000848344645 588373274 /nfs/dbraw/zinc/37/32/74/588373274.db2.gz LLKKNNNDUPMJIU-RKDXNWHRSA-N 0 2 238.247 0.438 20 5 BCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccn1C ZINC000935665297 641455806 /nfs/dbraw/zinc/45/58/06/641455806.db2.gz RRXKMTDJHBGGAZ-RNFRBKRXSA-N 0 2 224.220 0.048 20 5 BCBDLN CC[S@](C)(=O)=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000925819155 646493481 /nfs/dbraw/zinc/49/34/81/646493481.db2.gz GDILUDDVQHZEQT-PRGXOLQISA-N 0 2 220.250 0.296 20 5 BCBDLN CC[S@](C)(=O)=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000925819155 646493484 /nfs/dbraw/zinc/49/34/84/646493484.db2.gz GDILUDDVQHZEQT-PRGXOLQISA-N 0 2 220.250 0.296 20 5 BCBDLN CC(C)[S@@](C)(=O)=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000926052097 646565228 /nfs/dbraw/zinc/56/52/28/646565228.db2.gz XLBQAYVDPYZLNT-PDDYSYKVSA-N 0 2 234.277 0.684 20 5 BCBDLN CC(C)[S@@](C)(=O)=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000926052097 646565231 /nfs/dbraw/zinc/56/52/31/646565231.db2.gz XLBQAYVDPYZLNT-PDDYSYKVSA-N 0 2 234.277 0.684 20 5 BCBDLN Cc1n[nH]c(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000294743139 180007837 /nfs/dbraw/zinc/00/78/37/180007837.db2.gz YIQRXSRYFOOYTM-UHFFFAOYSA-N 0 2 241.251 0.887 20 5 BCBDLN O=c1[nH]nc(Sc2cccnc2[N+](=O)[O-])[nH]1 ZINC000619745529 370590476 /nfs/dbraw/zinc/59/04/76/370590476.db2.gz VWVLLCTYWAVMGV-UHFFFAOYSA-N 0 2 239.216 0.965 20 5 BCBDLN O=C(NCCCO)c1cc([N+](=O)[O-])ccc1O ZINC000179420035 182171278 /nfs/dbraw/zinc/17/12/78/182171278.db2.gz HLOMIYGQFHRWTL-UHFFFAOYSA-N 0 2 240.215 0.413 20 5 BCBDLN O=C(NCCCO)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128330148 182172957 /nfs/dbraw/zinc/17/29/57/182172957.db2.gz LZYNQGHYEIMKOA-UHFFFAOYSA-N 0 2 240.215 0.413 20 5 BCBDLN Cn1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000893931054 583251659 /nfs/dbraw/zinc/25/16/59/583251659.db2.gz CLWVUDPMPCTFBJ-INEUFUBQSA-N 0 2 244.638 0.677 20 5 BCBDLN Cc1c[nH]c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000839704289 585337573 /nfs/dbraw/zinc/33/75/73/585337573.db2.gz VJQHJKWJXAEXFA-PHDIDXHHSA-N 0 2 210.193 0.322 20 5 BCBDLN Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl ZINC000839746870 585339974 /nfs/dbraw/zinc/33/99/74/585339974.db2.gz NCMLYTSNRCELKL-RFZPGFLSSA-N 0 2 244.638 0.975 20 5 BCBDLN CC[C@H](C)CONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839776666 585341225 /nfs/dbraw/zinc/34/12/25/585341225.db2.gz MYFUMUQUSWMLEN-XLPZGREQSA-N 0 2 216.237 0.746 20 5 BCBDLN O=C(Nn1cnnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000802994119 586331622 /nfs/dbraw/zinc/33/16/22/586331622.db2.gz SEWUYXSPDVPKAE-UHFFFAOYSA-N 0 2 249.186 0.276 20 5 BCBDLN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC000841130048 587946992 /nfs/dbraw/zinc/94/69/92/587946992.db2.gz KOANGSWIVWSNEV-RNFRBKRXSA-N 0 2 222.204 0.389 20 5 BCBDLN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC000841159826 587948071 /nfs/dbraw/zinc/94/80/71/587948071.db2.gz NDIMFUGGERRXKR-PHDIDXHHSA-N 0 2 238.203 0.089 20 5 BCBDLN O=C(Nc1ccc(F)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857693510 645650324 /nfs/dbraw/zinc/65/03/24/645650324.db2.gz OWFPRMMTYRXZBP-RFZPGFLSSA-N 0 2 226.167 0.219 20 5 BCBDLN C[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000282857490 385184451 /nfs/dbraw/zinc/18/44/51/385184451.db2.gz CKGINDDJMRJXOS-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN CN(CCO)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280671073 388785963 /nfs/dbraw/zinc/78/59/63/388785963.db2.gz BLZVIQJJRSWOCO-UHFFFAOYSA-N 0 2 240.215 0.365 20 5 BCBDLN C[C@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280837205 388786958 /nfs/dbraw/zinc/78/69/58/388786958.db2.gz UKKWNOZGYBQFEB-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN O=[N+]([O-])c1cccnc1Nc1ccn(CCO)n1 ZINC000610210580 411685098 /nfs/dbraw/zinc/68/50/98/411685098.db2.gz JSLSKHBHKRFQKB-UHFFFAOYSA-N 0 2 249.230 0.922 20 5 BCBDLN Cc1cn(C)nc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856413326 588872218 /nfs/dbraw/zinc/87/22/18/588872218.db2.gz CHADJASNFNAWNI-RNFRBKRXSA-N 0 2 224.220 0.332 20 5 BCBDLN CONC(=O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000896194826 583783196 /nfs/dbraw/zinc/78/31/96/583783196.db2.gz SATCKKPECCXKKV-UHFFFAOYSA-N 0 2 239.231 0.993 20 5 BCBDLN O=C(Nn1cnc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839472201 585105142 /nfs/dbraw/zinc/10/51/42/585105142.db2.gz QYUQCKGCYWKILU-GMSGAONNSA-N 0 2 246.226 0.772 20 5 BCBDLN O=C(Nc1ccnc2ccnn21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839673568 585336139 /nfs/dbraw/zinc/33/61/39/585336139.db2.gz LBALUNAPDZPOIN-RNFRBKRXSA-N 0 2 247.214 0.333 20 5 BCBDLN CC(C)OCCONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839775871 585341069 /nfs/dbraw/zinc/34/10/69/585341069.db2.gz HUORFDCYWFDTHM-HTQZYQBOSA-N 0 2 232.236 0.124 20 5 BCBDLN O=C(Nc1cn[nH]n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000789927531 585953828 /nfs/dbraw/zinc/95/38/28/585953828.db2.gz RWBRYPFRWGAJDS-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN O=C(Nc1cn[nH]n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000816317352 586717166 /nfs/dbraw/zinc/71/71/66/586717166.db2.gz OZNVFPPIXJPWJY-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN O=C(Nc1c[nH]nn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000816317352 586717167 /nfs/dbraw/zinc/71/71/67/586717167.db2.gz OZNVFPPIXJPWJY-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cn1 ZINC000841250536 587950003 /nfs/dbraw/zinc/95/00/03/587950003.db2.gz JDEKGCKRVYHFQR-HTQZYQBOSA-N 0 2 239.206 0.849 20 5 BCBDLN CCn1nc(C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000863380393 589285069 /nfs/dbraw/zinc/28/50/69/589285069.db2.gz CKHFBAWXEITWGC-HTQZYQBOSA-N 0 2 238.247 0.815 20 5 BCBDLN O=C(Nc1ccnn1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000889684013 592643910 /nfs/dbraw/zinc/64/39/10/592643910.db2.gz QVYJKEMSIQARJU-HTQZYQBOSA-N 0 2 236.231 0.822 20 5 BCBDLN CONC(=O)CNc1ccc([N+](=O)[O-])cc1C ZINC000857586916 645621907 /nfs/dbraw/zinc/62/19/07/645621907.db2.gz UOABVOMPPLZNGZ-UHFFFAOYSA-N 0 2 239.231 0.993 20 5 BCBDLN O=c1[nH]nc(CNc2ccsc2[N+](=O)[O-])[nH]1 ZINC000309476559 347074395 /nfs/dbraw/zinc/07/43/95/347074395.db2.gz CCGPGPHEGFRYSI-UHFFFAOYSA-N 0 2 241.232 0.680 20 5 BCBDLN C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355710860 385803864 /nfs/dbraw/zinc/80/38/64/385803864.db2.gz FTDMFJRLTSHQMK-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128623747 385851600 /nfs/dbraw/zinc/85/16/00/385851600.db2.gz MAWRUZLSHWLVPR-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN CC(C)[S@](C)(=O)=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000926052098 646566000 /nfs/dbraw/zinc/56/60/00/646566000.db2.gz XLBQAYVDPYZLNT-YRRYFFEDSA-N 0 2 234.277 0.684 20 5 BCBDLN CC(C)[S@](C)(=O)=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000926052098 646566006 /nfs/dbraw/zinc/56/60/06/646566006.db2.gz XLBQAYVDPYZLNT-YRRYFFEDSA-N 0 2 234.277 0.684 20 5 BCBDLN Cn1nccc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000896853240 583839899 /nfs/dbraw/zinc/83/98/99/583839899.db2.gz MPBAFTVKNDVKSV-IYSWYEEDSA-N 0 2 235.203 0.603 20 5 BCBDLN CONC(=O)CNc1ccc([N+](=O)[O-])cc1 ZINC000309920811 633941832 /nfs/dbraw/zinc/94/18/32/633941832.db2.gz RYBBNORDOSEDLB-UHFFFAOYSA-N 0 2 225.204 0.684 20 5 BCBDLN Cc1cc(NCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000301756335 178176743 /nfs/dbraw/zinc/17/67/43/178176743.db2.gz DPRRGTXGJKIWBV-UHFFFAOYSA-N 0 2 249.230 0.927 20 5 BCBDLN CN(CCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234288488 343936114 /nfs/dbraw/zinc/93/61/14/343936114.db2.gz DNWGIMVNZFMINR-UHFFFAOYSA-N 0 2 240.215 0.365 20 5 BCBDLN O=C(NCCCO)c1cccc(O)c1[N+](=O)[O-] ZINC000280691244 182172566 /nfs/dbraw/zinc/17/25/66/182172566.db2.gz DJBNSDWRCKSSDY-UHFFFAOYSA-N 0 2 240.215 0.413 20 5 BCBDLN COCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194738178 206108890 /nfs/dbraw/zinc/10/88/90/206108890.db2.gz JRZJPJYYFMJVCY-UHFFFAOYSA-N 0 2 240.215 0.677 20 5 BCBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(O)C1 ZINC000353827388 182650831 /nfs/dbraw/zinc/65/08/31/182650831.db2.gz QAVCXEKEAFIEAB-UHFFFAOYSA-N 0 2 238.199 0.117 20 5 BCBDLN C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184641471 386222147 /nfs/dbraw/zinc/22/21/47/386222147.db2.gz IITURKQPOGDHEY-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN C[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354399209 387371601 /nfs/dbraw/zinc/37/16/01/387371601.db2.gz YMICXXYJCUJZQA-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN Cc1ccc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000301784179 388678643 /nfs/dbraw/zinc/67/86/43/388678643.db2.gz OTGRMAFXYBFJPQ-UHFFFAOYSA-N 0 2 249.230 0.927 20 5 BCBDLN C[C@H](CCO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000123391868 388732287 /nfs/dbraw/zinc/73/22/87/388732287.db2.gz FNUOIDYOGDCSRT-ZCFIWIBFSA-N 0 2 227.220 0.424 20 5 BCBDLN O=c1[nH]nc(CNc2ccc([N+](=O)[O-])nc2)[nH]1 ZINC000392454653 388806724 /nfs/dbraw/zinc/80/67/24/388806724.db2.gz GFZHPIKWQBZPTN-UHFFFAOYSA-N 0 2 236.191 0.426 20 5 BCBDLN O=C(NCCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000348512767 136084334 /nfs/dbraw/zinc/08/43/34/136084334.db2.gz ZZDTWVGDXHLIJP-UHFFFAOYSA-N 0 2 226.188 0.023 20 5 BCBDLN C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nnc[nH]1 ZINC000853225380 588727459 /nfs/dbraw/zinc/72/74/59/588727459.db2.gz NUJDPHCLKIIQGT-HSUXUTPPSA-N 0 2 226.192 0.074 20 5 BCBDLN CCONC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000798154930 586138398 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Cc1nocc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000880446156 591045990 /nfs/dbraw/zinc/04/59/90/591045990.db2.gz RMNLGMSDWNDYPN-IYSWYEEDSA-N 0 2 211.177 0.587 20 5 BCBDLN CC[S@@](C)(=O)=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000925819153 646493945 /nfs/dbraw/zinc/49/39/45/646493945.db2.gz GDILUDDVQHZEQT-HNPCCYBCSA-N 0 2 220.250 0.296 20 5 BCBDLN CC[S@@](C)(=O)=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000925819153 646493947 /nfs/dbraw/zinc/49/39/47/646493947.db2.gz GDILUDDVQHZEQT-HNPCCYBCSA-N 0 2 220.250 0.296 20 5 BCBDLN O=C(Nc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1O ZINC000182128554 398137033 /nfs/dbraw/zinc/13/70/33/398137033.db2.gz BQBZNLUBZLBHGI-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN O=C(CO)Nc1cc([N+](=O)[O-])ccc1O ZINC000036342674 342909735 /nfs/dbraw/zinc/90/97/35/342909735.db2.gz XQDUAWNGZCRPPR-UHFFFAOYSA-N 0 2 212.161 0.231 20 5 BCBDLN C[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354399213 398323556 /nfs/dbraw/zinc/32/35/56/398323556.db2.gz YMICXXYJCUJZQA-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN O=[N+]([O-])c1cnc(Nc2c[nH]cn2)nc1 ZINC000581408164 367446264 /nfs/dbraw/zinc/44/62/64/367446264.db2.gz VUDWLCCZYAWOEY-UHFFFAOYSA-N 0 2 206.165 0.852 20 5 BCBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1CCO ZINC000603875797 371937547 /nfs/dbraw/zinc/93/75/47/371937547.db2.gz PNZFUMWJOUJJDZ-UHFFFAOYSA-N 0 2 249.226 0.524 20 5 BCBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1CCO ZINC000603875797 371937549 /nfs/dbraw/zinc/93/75/49/371937549.db2.gz PNZFUMWJOUJJDZ-UHFFFAOYSA-N 0 2 249.226 0.524 20 5 BCBDLN O=c1[nH]nc(Sc2ccncc2[N+](=O)[O-])[nH]1 ZINC000340866365 384732127 /nfs/dbraw/zinc/73/21/27/384732127.db2.gz YQUVRABGJWOFAO-UHFFFAOYSA-N 0 2 239.216 0.965 20 5 BCBDLN C[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280879047 388788262 /nfs/dbraw/zinc/78/82/62/388788262.db2.gz CKGINDDJMRJXOS-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000531628526 411773452 /nfs/dbraw/zinc/77/34/52/411773452.db2.gz CHBRDDKQYSIHBH-UHFFFAOYSA-N 0 2 248.202 0.669 20 5 BCBDLN COCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000300271918 174328067 /nfs/dbraw/zinc/32/80/67/174328067.db2.gz KCQNDLRGMVAIQH-UHFFFAOYSA-N 0 2 240.215 0.677 20 5 BCBDLN COc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000855138705 588823105 /nfs/dbraw/zinc/82/31/05/588823105.db2.gz GELBLYJVWHXEHK-RNFRBKRXSA-N 0 2 237.215 0.694 20 5 BCBDLN Cc1nccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000841121008 583341052 /nfs/dbraw/zinc/34/10/52/583341052.db2.gz NKJXYQKLEBWWOB-RNFRBKRXSA-N 0 2 222.204 0.389 20 5 BCBDLN CCCc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000839679669 585337131 /nfs/dbraw/zinc/33/71/31/585337131.db2.gz OSEDVJMAVHWIBQ-HTQZYQBOSA-N 0 2 238.247 0.966 20 5 BCBDLN O=C(NOC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839717297 585338391 /nfs/dbraw/zinc/33/83/91/585338391.db2.gz DMNMGHPAGWQYLK-HTQZYQBOSA-N 0 2 214.221 0.642 20 5 BCBDLN O=C(NN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000770547008 585576296 /nfs/dbraw/zinc/57/62/96/585576296.db2.gz NGIUYJGBJYSBFQ-UHFFFAOYSA-N 0 2 249.226 0.862 20 5 BCBDLN O=C(Nc1cn[nH]n1)c1ccc([N+](=O)[O-])cc1O ZINC000788163620 585918827 /nfs/dbraw/zinc/91/88/27/585918827.db2.gz FMOBJTITWAYSJC-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1O ZINC000788163620 585918828 /nfs/dbraw/zinc/91/88/28/585918828.db2.gz FMOBJTITWAYSJC-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN CCONC(=O)CNc1ncc([N+](=O)[O-])s1 ZINC000845714170 588242285 /nfs/dbraw/zinc/24/22/85/588242285.db2.gz QJRXHJRVYMUSOA-UHFFFAOYSA-N 0 2 246.248 0.531 20 5 BCBDLN Cc1cnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000876033503 590184049 /nfs/dbraw/zinc/18/40/49/590184049.db2.gz VNHLJUYLBVRTEJ-RNFRBKRXSA-N 0 2 222.204 0.389 20 5 BCBDLN CCn1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000855562477 645528836 /nfs/dbraw/zinc/52/88/36/645528836.db2.gz BYBYJBXVOKSOCE-RNFRBKRXSA-N 0 2 224.220 0.507 20 5 BCBDLN O=C(NCCO)c1ccc([N+](=O)[O-])cc1O ZINC000184580414 323090708 /nfs/dbraw/zinc/09/07/08/323090708.db2.gz OLXJGKDLSIDHMD-UHFFFAOYSA-N 0 2 226.188 0.023 20 5 BCBDLN COCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183898970 367057448 /nfs/dbraw/zinc/05/74/48/367057448.db2.gz WWSJPZCZNOLPOJ-UHFFFAOYSA-N 0 2 226.188 0.885 20 5 BCBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC(O)C1 ZINC000295004331 387047934 /nfs/dbraw/zinc/04/79/34/387047934.db2.gz QDOSCOISDAPJCB-UHFFFAOYSA-N 0 2 238.199 0.117 20 5 BCBDLN O=c1[nH]nc(Sc2ncc([N+](=O)[O-])cn2)[nH]1 ZINC000193532524 388708834 /nfs/dbraw/zinc/70/88/34/388708834.db2.gz QYBCZYMGYBSJGI-UHFFFAOYSA-N 0 2 240.204 0.360 20 5 BCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nc[nH]n1 ZINC000221010279 582821631 /nfs/dbraw/zinc/82/16/31/582821631.db2.gz ZKQIHSKCHWSUKU-UHFFFAOYSA-N 0 2 249.186 0.671 20 5 BCBDLN O=C(Nc1ncccc1O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839470481 585104988 /nfs/dbraw/zinc/10/49/88/585104988.db2.gz SBGACBHJBBPNNH-PHDIDXHHSA-N 0 2 223.188 0.391 20 5 BCBDLN O=C(Nc1ccc(F)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839549592 585330258 /nfs/dbraw/zinc/33/02/58/585330258.db2.gz XTLOZIMSYSQPOG-RNFRBKRXSA-N 0 2 225.179 0.824 20 5 BCBDLN O=C(Nc1ccc2nccn2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679095 585337154 /nfs/dbraw/zinc/33/71/54/585337154.db2.gz FZJLJVVXVRMXTL-RKDXNWHRSA-N 0 2 246.226 0.938 20 5 BCBDLN O=C(NOC/C=C/Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774049 585340912 /nfs/dbraw/zinc/34/09/12/585340912.db2.gz KUMQUANZVXDPFI-IYTQHBPKSA-N 0 2 220.612 0.452 20 5 BCBDLN CC[C@@H](C)CONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839776664 585341082 /nfs/dbraw/zinc/34/10/82/585341082.db2.gz MYFUMUQUSWMLEN-BWZBUEFSSA-N 0 2 216.237 0.746 20 5 BCBDLN CON(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788261739 585919872 /nfs/dbraw/zinc/91/98/72/585919872.db2.gz QJUAXNSIPRAHFW-UHFFFAOYSA-N 0 2 226.188 0.934 20 5 BCBDLN CCONC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788266512 585920208 /nfs/dbraw/zinc/92/02/08/585920208.db2.gz WKYZFEBDFDORPI-UHFFFAOYSA-N 0 2 226.188 0.982 20 5 BCBDLN O=C(Nc1ccc(C2CC2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841120718 587947068 /nfs/dbraw/zinc/94/70/68/587947068.db2.gz GZHLMLMJFWYHLO-VXNVDRBHSA-N 0 2 248.242 0.958 20 5 BCBDLN COc1cnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 ZINC000847008551 588301358 /nfs/dbraw/zinc/30/13/58/588301358.db2.gz LMWMGHDQXTYVAA-RNFRBKRXSA-N 0 2 238.203 0.089 20 5 BCBDLN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 ZINC000882945316 591481774 /nfs/dbraw/zinc/48/17/74/591481774.db2.gz PWMKNXZCIBDJKK-PHDIDXHHSA-N 0 2 240.219 0.032 20 5 BCBDLN C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179420241 384885094 /nfs/dbraw/zinc/88/50/94/384885094.db2.gz HZDBVBRUKWTSJC-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 ZINC000112702252 385856738 /nfs/dbraw/zinc/85/67/38/385856738.db2.gz WUSUGJXCLUYMOQ-UHFFFAOYSA-N 0 2 237.175 0.867 20 5 BCBDLN Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000112702252 385856743 /nfs/dbraw/zinc/85/67/43/385856743.db2.gz WUSUGJXCLUYMOQ-UHFFFAOYSA-N 0 2 237.175 0.867 20 5 BCBDLN O=c1[nH]nc(Sc2ncccc2[N+](=O)[O-])[nH]1 ZINC000192749596 387424007 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O=C(Nc1cc(Cl)[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839709975 585337886 /nfs/dbraw/zinc/33/78/86/585337886.db2.gz VZUZVYIUAQTCRR-QWWZWVQMSA-N 0 2 230.611 0.667 20 5 BCBDLN O=C(Nc1nc2ccccn2n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716172 585338237 /nfs/dbraw/zinc/33/82/37/585338237.db2.gz MIMOABPNBGXWKO-RNFRBKRXSA-N 0 2 247.214 0.333 20 5 BCBDLN O=C(Nn1cnnc1)c1ccc([N+](=O)[O-])cc1O ZINC000773590387 585641044 /nfs/dbraw/zinc/64/10/44/585641044.db2.gz UFFSCOGONZDXJW-UHFFFAOYSA-N 0 2 249.186 0.276 20 5 BCBDLN CCc1nnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC000107659340 588392698 /nfs/dbraw/zinc/39/26/98/588392698.db2.gz HUVUSHOVHHVDSW-RFZPGFLSSA-N 0 2 242.260 0.704 20 5 BCBDLN O=C(NCCCO)c1ccc([N+](=O)[O-])cc1O ZINC000184641172 182171877 /nfs/dbraw/zinc/17/18/77/182171877.db2.gz BIMFOCXRMSODQD-UHFFFAOYSA-N 0 2 240.215 0.413 20 5 BCBDLN O=C(NCCO)c1cc([N+](=O)[O-])ccc1O ZINC000179382084 384870763 /nfs/dbraw/zinc/87/07/63/384870763.db2.gz ZFZMDDMOGVOLLB-UHFFFAOYSA-N 0 2 226.188 0.023 20 5 BCBDLN COCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184574484 385982729 /nfs/dbraw/zinc/98/27/29/385982729.db2.gz BVTVWXSWUQUXSQ-UHFFFAOYSA-N 0 2 240.215 0.677 20 5 BCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(O)C1 ZINC000182102062 386203173 /nfs/dbraw/zinc/20/31/73/386203173.db2.gz VHBKDZJKAVKIMZ-UHFFFAOYSA-N 0 2 238.199 0.117 20 5 BCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(O)C1 ZINC000089512329 388010556 /nfs/dbraw/zinc/01/05/56/388010556.db2.gz KFHKZKCNILSXBM-UHFFFAOYSA-N 0 2 238.199 0.117 20 5 BCBDLN CN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000299558224 388840769 /nfs/dbraw/zinc/84/07/69/388840769.db2.gz MOBWRLDCTHHYHJ-SNVBAGLBSA-N 0 2 237.215 0.361 20 5 BCBDLN CONC(=O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000896196369 583782591 /nfs/dbraw/zinc/78/25/91/583782591.db2.gz YUTORRCQLMIYAB-UHFFFAOYSA-N 0 2 239.231 0.993 20 5 BCBDLN O=C(Nc1ccc2n[nH]nc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839701273 585335845 /nfs/dbraw/zinc/33/58/45/585335845.db2.gz OHESRQDKERGDPZ-HZGVNTEJSA-N 0 2 247.214 0.562 20 5 BCBDLN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839701273 585335846 /nfs/dbraw/zinc/33/58/46/585335846.db2.gz OHESRQDKERGDPZ-HZGVNTEJSA-N 0 2 247.214 0.562 20 5 BCBDLN O=C(Nc1nccn1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839936757 586259516 /nfs/dbraw/zinc/25/95/16/586259516.db2.gz CDOCLTJERLHNBI-HTQZYQBOSA-N 0 2 236.231 0.822 20 5 BCBDLN Cc1ccc(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC000846894207 588295814 /nfs/dbraw/zinc/29/58/14/588295814.db2.gz TZTVGFZYKYOVPX-HTQZYQBOSA-N 0 2 236.231 0.413 20 5 BCBDLN O=C(Nc1nccc(C2CC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000875887301 590175671 /nfs/dbraw/zinc/17/56/71/590175671.db2.gz UGTACQOBMZEFIY-VXNVDRBHSA-N 0 2 248.242 0.958 20 5 BCBDLN Cc1cc([N+](=O)[O-])ccc1NCc1n[nH]c(=O)[nH]1 ZINC000301750142 178273195 /nfs/dbraw/zinc/27/31/95/178273195.db2.gz APHRCVYEYAVQQC-UHFFFAOYSA-N 0 2 249.230 0.927 20 5 BCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC1 ZINC000597720994 348790757 /nfs/dbraw/zinc/79/07/57/348790757.db2.gz 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MGIHAFPKHCPEFJ-UHFFFAOYSA-N 0 2 239.231 0.993 20 5 BCBDLN CCn1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839489328 585105340 /nfs/dbraw/zinc/10/53/40/585105340.db2.gz LDPPXARQCTWBIO-RNFRBKRXSA-N 0 2 224.220 0.507 20 5 BCBDLN Cc1cnccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839666201 585334752 /nfs/dbraw/zinc/33/47/52/585334752.db2.gz MOYQPOFISALZDR-VXNVDRBHSA-N 0 2 221.216 0.416 20 5 BCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ncccc21 ZINC000839709143 585337634 /nfs/dbraw/zinc/33/76/34/585337634.db2.gz PPXYLLGXESAUSK-GMSGAONNSA-N 0 2 233.227 0.636 20 5 BCBDLN O=C(NOCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839776952 585341395 /nfs/dbraw/zinc/34/13/95/585341395.db2.gz DWLFVFOAVWWLPT-RNFRBKRXSA-N 0 2 200.194 0.109 20 5 BCBDLN CON(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000798151105 586138207 /nfs/dbraw/zinc/13/82/07/586138207.db2.gz YWHNLVSGZWLGQB-UHFFFAOYSA-N 0 2 226.188 0.934 20 5 BCBDLN C[N@H+](CC(=O)[O-])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593289604 347878493 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585338716 /nfs/dbraw/zinc/33/87/16/585338716.db2.gz ZZLTZRFZHMIQHI-RNFRBKRXSA-N 0 2 237.215 0.699 20 5 BCBDLN CCn1ccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839902755 586220339 /nfs/dbraw/zinc/22/03/39/586220339.db2.gz SVOHVBSHRARUFE-RNFRBKRXSA-N 0 2 224.220 0.507 20 5 BCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2ccncc21 ZINC000840381873 586958211 /nfs/dbraw/zinc/95/82/11/586958211.db2.gz IMIVEGIBJUBEPT-HTQZYQBOSA-N 0 2 249.226 0.472 20 5 BCBDLN COc1nnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC000841193842 587949014 /nfs/dbraw/zinc/94/90/14/587949014.db2.gz FTRJOQONFMQCGH-QWWZWVQMSA-N 0 2 244.232 0.150 20 5 BCBDLN COc1cnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC000841219735 587949225 /nfs/dbraw/zinc/94/92/25/587949225.db2.gz FSTHMQMTLZECPY-RFZPGFLSSA-N 0 2 243.244 0.755 20 5 BCBDLN CCONC(=O)CNc1ccc([N+](=O)[O-])nc1 ZINC000845714827 588242416 /nfs/dbraw/zinc/24/24/16/588242416.db2.gz HJTDAXGANQOKKO-UHFFFAOYSA-N 0 2 240.219 0.469 20 5 BCBDLN CCONC(=O)CNc1ccc([N+](=O)[O-])cn1 ZINC000845714991 588242503 /nfs/dbraw/zinc/24/25/03/588242503.db2.gz JQHPZCLBGRUJIF-UHFFFAOYSA-N 0 2 240.219 0.469 20 5 BCBDLN Cc1cnn(C)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855250127 645522011 /nfs/dbraw/zinc/52/20/11/645522011.db2.gz JHQKJLCWNINYAO-RNFRBKRXSA-N 0 2 224.220 0.332 20 5 BCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC1 ZINC000597722660 348791173 /nfs/dbraw/zinc/79/11/73/348791173.db2.gz GUZLBPRWSDUUTL-UHFFFAOYSA-N 0 2 238.199 0.730 20 5 BCBDLN O=C(NCCF)c1cc([N+](=O)[O-])ccc1O ZINC000437682688 201366101 /nfs/dbraw/zinc/36/61/01/201366101.db2.gz XUMZWOJRAUODED-UHFFFAOYSA-N 0 2 228.179 1.000 20 5 BCBDLN C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179420250 384882944 /nfs/dbraw/zinc/88/29/44/384882944.db2.gz HZDBVBRUKWTSJC-ZCFIWIBFSA-N 0 2 240.215 0.411 20 5 BCBDLN C[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000084826281 384930514 /nfs/dbraw/zinc/93/05/14/384930514.db2.gz QATYBYADXGJKFC-YFKPBYRVSA-N 0 2 226.188 0.620 20 5 BCBDLN O=C(NCCF)c1cc(O)ccc1[N+](=O)[O-] ZINC000304234623 388357159 /nfs/dbraw/zinc/35/71/59/388357159.db2.gz BQHWJPIEZLGDKA-UHFFFAOYSA-N 0 2 228.179 1.000 20 5 BCBDLN CN1CC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000298783721 488075436 /nfs/dbraw/zinc/07/54/36/488075436.db2.gz MKZVSVPJOUXSDS-SNVBAGLBSA-N 0 2 237.215 0.361 20 5 BCBDLN Cc1nccnc1N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000893283215 583084646 /nfs/dbraw/zinc/08/46/46/583084646.db2.gz ZVUFYEKKRNOOTD-HTQZYQBOSA-N 0 2 236.231 0.413 20 5 BCBDLN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)cn1 ZINC000839707340 585337672 /nfs/dbraw/zinc/33/76/72/585337672.db2.gz CZZMSQXXWAFGNO-PSASIEDQSA-N 0 2 235.243 0.724 20 5 BCBDLN CC(C)CONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839710645 585338158 /nfs/dbraw/zinc/33/81/58/585338158.db2.gz OHSGCAMVRMELPG-RNFRBKRXSA-N 0 2 202.210 0.355 20 5 BCBDLN O=C(NOC/C=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774031 585340917 /nfs/dbraw/zinc/34/09/17/585340917.db2.gz KUMQUANZVXDPFI-CNUHJEEOSA-N 0 2 220.612 0.452 20 5 BCBDLN CCc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C ZINC000817491888 586808122 /nfs/dbraw/zinc/80/81/22/586808122.db2.gz PACCVJVCDCZNMU-HTQZYQBOSA-N 0 2 238.247 0.586 20 5 BCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCc2n[nH]cc21 ZINC000819948371 587004713 /nfs/dbraw/zinc/00/47/13/587004713.db2.gz DMHZQDQMWUFFNX-HTRCEHHLSA-N 0 2 236.231 0.354 20 5 BCBDLN O=c1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)nc[nH]1 ZINC000843026233 588075562 /nfs/dbraw/zinc/07/55/62/588075562.db2.gz JWMPYCXJDDPJBS-INEUFUBQSA-N 0 2 249.186 0.365 20 5 BCBDLN O=C(Nc1cccnc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000843688041 588133010 /nfs/dbraw/zinc/13/30/10/588133010.db2.gz ONPXWOMJNFNPLB-IYSWYEEDSA-N 0 2 225.179 0.824 20 5 BCBDLN O=C(Nc1n[nH]cc1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000843965886 588152105 /nfs/dbraw/zinc/15/21/05/588152105.db2.gz UIXGWGWXDGPJDA-HTRCEHHLSA-N 0 2 236.231 0.891 20 5 BCBDLN CCONC(=O)CNc1ncccc1[N+](=O)[O-] ZINC000845713389 588242059 /nfs/dbraw/zinc/24/20/59/588242059.db2.gz JORDTJZKXSZWKQ-UHFFFAOYSA-N 0 2 240.219 0.469 20 5 BCBDLN Cn1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)n1 ZINC000872014188 589855425 /nfs/dbraw/zinc/85/54/25/589855425.db2.gz GGSXBQKELXCIOM-IYSWYEEDSA-N 0 2 235.203 0.603 20 5 BCBDLN O=C(Nc1nccnc1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000906422433 638164566 /nfs/dbraw/zinc/16/45/66/638164566.db2.gz QZHYTAWXCYJDLE-HTQZYQBOSA-N 0 2 248.242 0.958 20 5 BCBDLN O=c1[nH]nc(CNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000301550382 398284497 /nfs/dbraw/zinc/28/44/97/398284497.db2.gz GQUXTJTXJNMQSX-UHFFFAOYSA-N 0 2 235.203 0.618 20 5 BCBDLN C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000118967994 384494714 /nfs/dbraw/zinc/49/47/14/384494714.db2.gz PNPIRDWOGZSRNW-LURJTMIESA-N 0 2 240.215 0.411 20 5 BCBDLN C[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000084826283 384930169 /nfs/dbraw/zinc/93/01/69/384930169.db2.gz QATYBYADXGJKFC-RXMQYKEDSA-N 0 2 226.188 0.620 20 5 BCBDLN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(=O)[nH]2)c1 ZINC000301618205 388639444 /nfs/dbraw/zinc/63/94/44/388639444.db2.gz KYGQNRVNVCHWSK-UHFFFAOYSA-N 0 2 249.230 0.927 20 5 BCBDLN CN(CCO)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128322406 397815677 /nfs/dbraw/zinc/81/56/77/397815677.db2.gz CVVWUBPDJPQAOJ-UHFFFAOYSA-N 0 2 240.215 0.365 20 5 BCBDLN CN(Cc1ccon1)c1c([N+](=O)[O-])ncn1C ZINC000265834710 172907933 /nfs/dbraw/zinc/90/79/33/172907933.db2.gz QTCWHXGMVIBONR-UHFFFAOYSA-N 0 2 237.219 0.953 20 5 BCBDLN O=C(Nc1cc(F)ccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857312499 588905686 /nfs/dbraw/zinc/90/56/86/588905686.db2.gz QWWIONGIAZUASH-RNFRBKRXSA-N 0 2 225.179 0.824 20 5 BCBDLN Cc1cnc2c(c1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000857870038 588916676 /nfs/dbraw/zinc/91/66/76/588916676.db2.gz KLRKDBSGSVTTCG-PSASIEDQSA-N 0 2 247.254 0.944 20 5 BCBDLN COc1ccncc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840305781 586610320 /nfs/dbraw/zinc/61/03/20/586610320.db2.gz PLAAEHXRSCWKJR-HTRCEHHLSA-N 0 2 237.215 0.694 20 5 BCBDLN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnc1C ZINC000841119436 587947006 /nfs/dbraw/zinc/94/70/06/587947006.db2.gz MBJIXBSGBGETBB-HTQZYQBOSA-N 0 2 236.231 0.697 20 5 BCBDLN O=C(Nc1ccnc(F)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857695996 645652010 /nfs/dbraw/zinc/65/20/10/645652010.db2.gz DRZVWANHNSSVTD-INEUFUBQSA-N 0 2 243.169 0.964 20 5 BCBDLN