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-])c1cc(Nc2ccc(F)nc2)ccc1[O-] ZINC001210392243 957739218 /nfs/dbraw/zinc/73/92/18/957739218.db2.gz AVEVTMJVNJXYGA-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2C=CCCC2)c1 ZINC001229395042 964118461 /nfs/dbraw/zinc/11/84/61/964118461.db2.gz DSCRQICSVYBYST-SNVBAGLBSA-N -1 1 235.239 2.788 20 5 BFBDMM O=[N+]([O-])c1cccc([N-]c2nonc2C2CC2)c1 ZINC001204449578 966999437 /nfs/dbraw/zinc/99/94/37/966999437.db2.gz AUDIMWIIHQLBGV-UHFFFAOYSA-N -1 1 246.226 2.599 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2ccc(F)cn2)ccc1[O-] ZINC001210392576 969881955 /nfs/dbraw/zinc/88/19/55/969881955.db2.gz GTZQATAMEGMMKN-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cnccc2F)ccc1[O-] ZINC001210396742 969884263 /nfs/dbraw/zinc/88/42/63/969884263.db2.gz YLBBBISSCYBBKU-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001225489934 974527403 /nfs/dbraw/zinc/52/74/03/974527403.db2.gz DMIXKJYSSUEAEI-VIFPVBQESA-N -1 1 246.242 2.768 20 5 BFBDMM CCC[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666378 974635565 /nfs/dbraw/zinc/63/55/65/974635565.db2.gz HPELHXNNTNNOAE-MRVPVSSYSA-N -1 1 240.259 2.653 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC001229400271 976860500 /nfs/dbraw/zinc/86/05/00/976860500.db2.gz TYSRMXXAWYUPFC-VDDIYKPWSA-N -1 1 249.266 2.868 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cncs2)ccc1[O-] ZINC001210393782 969883283 /nfs/dbraw/zinc/88/32/83/969883283.db2.gz ZCOWCHCNVQAUQV-UHFFFAOYSA-N -1 1 237.240 2.501 20 5 BFBDMM Cc1cc([O-])c(O[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC001229749838 976981114 /nfs/dbraw/zinc/98/11/14/976981114.db2.gz HYKONJZIMLQIPP-QMMMGPOBSA-N -1 1 237.255 2.786 20 5 BFBDMM O=[N+]([O-])c1ccc(-c2nc(C3CCCC3)no2)[n-]1 ZINC000265054617 385913728 /nfs/dbraw/zinc/91/37/28/385913728.db2.gz UBLCSFYIEWWLIY-UHFFFAOYSA-N -1 1 248.242 2.631 20 5 BFBDMM Cc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210392130 957739793 /nfs/dbraw/zinc/73/97/93/957739793.db2.gz CBECFKZCIQXCBS-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2C=CCCC2)c1 ZINC001229395037 964120670 /nfs/dbraw/zinc/12/06/70/964120670.db2.gz DSCRQICSVYBYST-JTQLQIEISA-N -1 1 235.239 2.788 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cncc(F)c2)ccc1[O-] ZINC001210392739 969881367 /nfs/dbraw/zinc/88/13/67/969881367.db2.gz IVYKCOXNWIDPGY-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001225489933 974527274 /nfs/dbraw/zinc/52/72/74/974527274.db2.gz DMIXKJYSSUEAEI-SECBINFHSA-N -1 1 246.242 2.768 20 5 BFBDMM CCC[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666380 974633965 /nfs/dbraw/zinc/63/39/65/974633965.db2.gz HPELHXNNTNNOAE-QMMMGPOBSA-N -1 1 240.259 2.653 20 5 BFBDMM CC[C@H](C)[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666493 974635341 /nfs/dbraw/zinc/63/53/41/974635341.db2.gz JQASBOKFAPTJIE-JGVFFNPUSA-N -1 1 240.259 2.509 20 5 BFBDMM CCC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395948 976859339 /nfs/dbraw/zinc/85/93/39/976859339.db2.gz NSGUPPCZRROUMB-QMMMGPOBSA-N -1 1 225.244 2.868 20 5 BFBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC001229397469 976858026 /nfs/dbraw/zinc/85/80/26/976858026.db2.gz IIPSQFHYXXEIGS-MRVPVSSYSA-N -1 1 237.255 2.868 20 5 BFBDMM Cc1ccnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210392591 969881524 /nfs/dbraw/zinc/88/15/24/969881524.db2.gz HODOKKHKZRLHBX-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)nc1 ZINC001210392787 969882134 /nfs/dbraw/zinc/88/21/34/969882134.db2.gz NMVMLQDVWBFISI-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM CC[C@H](C)[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666495 974634213 /nfs/dbraw/zinc/63/42/13/974634213.db2.gz JQASBOKFAPTJIE-YUMQZZPRSA-N -1 1 240.259 2.509 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC001229394758 976857475 /nfs/dbraw/zinc/85/74/75/976857475.db2.gz BSYHEGMQLCKBND-YGOYTEALSA-N -1 1 247.250 2.644 20 5 BFBDMM CC[C@@H](C)CON=c1[n-]ccc(C)c1[N+](=O)[O-] ZINC000291837923 386054828 /nfs/dbraw/zinc/05/48/28/386054828.db2.gz LOGVJIIGYPEQNB-MRVPVSSYSA-N -1 1 239.275 2.688 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCCC2)c1 ZINC001229396837 976856866 /nfs/dbraw/zinc/85/68/66/976856866.db2.gz ZMEUCAGGZVQTPE-UHFFFAOYSA-N -1 1 223.228 2.622 20 5 BFBDMM O=[N+]([O-])c1ccccc1Nc1ncc(F)cc1[O-] ZINC001206150560 968090285 /nfs/dbraw/zinc/09/02/85/968090285.db2.gz ZXRXRHPJOXXUPB-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225665424 974634250 /nfs/dbraw/zinc/63/42/50/974634250.db2.gz ZCVOSRNLKATXLT-SECBINFHSA-N -1 1 240.259 2.509 20 5 BFBDMM CC[C@@H](C)[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666494 974634952 /nfs/dbraw/zinc/63/49/52/974634952.db2.gz JQASBOKFAPTJIE-SFYZADRCSA-N -1 1 240.259 2.509 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cccnc2F)ccc1[O-] ZINC001210393045 957742404 /nfs/dbraw/zinc/74/24/04/957742404.db2.gz LYMLUCYLKKQRGY-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cc(F)ccn2)ccc1[O-] ZINC001210392127 969882337 /nfs/dbraw/zinc/88/23/37/969882337.db2.gz BWDMNLGWVDNELB-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2ccoc2)ccc1[O-] ZINC001210395675 969883517 /nfs/dbraw/zinc/88/35/17/969883517.db2.gz ATGPRUQZOVJOOX-UHFFFAOYSA-N -1 1 220.184 2.637 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cccc(F)n2)ccc1[O-] ZINC001210393750 969883727 /nfs/dbraw/zinc/88/37/27/969883727.db2.gz YRWRSFOPHRIMIB-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(OC(C2CC2)C2CC2)c1 ZINC001229394999 976858996 /nfs/dbraw/zinc/85/89/96/976858996.db2.gz DLJUJAMCLMOBSN-UHFFFAOYSA-N -1 1 249.266 2.868 20 5 BFBDMM Cc1cc([O-])c(O[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC001229749835 976980179 /nfs/dbraw/zinc/98/01/79/976980179.db2.gz HYKONJZIMLQIPP-MRVPVSSYSA-N -1 1 237.255 2.786 20 5 BFBDMM CC(C)C[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664953 974635970 /nfs/dbraw/zinc/63/59/70/974635970.db2.gz VFOPIGLKEPWWML-MRVPVSSYSA-N -1 1 240.259 2.509 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2ncccc2F)ccc1[O-] ZINC001210392656 969882069 /nfs/dbraw/zinc/88/20/69/969882069.db2.gz GEPDVFPWDBERSH-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM Cc1cccnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392587 969882771 /nfs/dbraw/zinc/88/27/71/969882771.db2.gz HIFGRVJWQLLENS-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM Cc1conc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214165333 970443574 /nfs/dbraw/zinc/44/35/74/970443574.db2.gz QYAVERBUISEUHE-UHFFFAOYSA-N -1 1 233.227 2.943 20 5 BFBDMM CC(C)C[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667648 974635847 /nfs/dbraw/zinc/63/58/47/974635847.db2.gz VFOPIGLKEPWWML-QMMMGPOBSA-N -1 1 240.259 2.509 20 5 BFBDMM C[C@H]1CCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397252 976858512 /nfs/dbraw/zinc/85/85/12/976858512.db2.gz FHDHENAFIJBRPI-KWQFWETISA-N -1 1 237.255 2.868 20 5 BFBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC001229750226 976978352 /nfs/dbraw/zinc/97/83/52/976978352.db2.gz LMZZGINXAWZLOC-ILWJIGKKSA-N -1 1 249.266 2.786 20 5 BFBDMM Cc1cc([O-])c(OC2CCC2)cc1[N+](=O)[O-] ZINC001229751249 976980518 /nfs/dbraw/zinc/98/05/18/976980518.db2.gz ULAMHJODVLXTLM-UHFFFAOYSA-N -1 1 223.228 2.540 20 5 BFBDMM CCC[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259185 977550960 /nfs/dbraw/zinc/55/09/60/977550960.db2.gz GRVJHBMIMORMAF-QMMMGPOBSA-N -1 1 240.259 2.571 20 5 BFBDMM CC[C@H](C)CON=c1[n-]cc(C)cc1[N+](=O)[O-] ZINC000291632538 171290772 /nfs/dbraw/zinc/29/07/72/171290772.db2.gz ANOFTUFFLPPFSQ-QMMMGPOBSA-N -1 1 239.275 2.688 20 5 BFBDMM Cc1noc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393633 969881695 /nfs/dbraw/zinc/88/16/95/969881695.db2.gz WZFKHGGDADCZMT-UHFFFAOYSA-N -1 1 249.226 2.649 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2ccnc(F)c2)ccc1[O-] ZINC001210392807 969881803 /nfs/dbraw/zinc/88/18/03/969881803.db2.gz KDLHVYJRFYCNDL-UHFFFAOYSA-N -1 1 249.201 2.578 20 5 BFBDMM C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396368 976857790 /nfs/dbraw/zinc/85/77/90/976857790.db2.gz SJTUQWCYNYXCNV-PSASIEDQSA-N -1 1 237.255 2.868 20 5 BFBDMM C[C@H]1CCC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397251 976859324 /nfs/dbraw/zinc/85/93/24/976859324.db2.gz FHDHENAFIJBRPI-GZMMTYOYSA-N -1 1 237.255 2.868 20 5 BFBDMM Cc1cc([O-])c(OC2CCCC2)cc1[N+](=O)[O-] ZINC001229749819 976980754 /nfs/dbraw/zinc/98/07/54/976980754.db2.gz HNIITBTVBYXESJ-UHFFFAOYSA-N -1 1 237.255 2.930 20 5 BFBDMM CCC[N@@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338935280 169130056 /nfs/dbraw/zinc/13/00/56/169130056.db2.gz WYHZYBVWIHFRRI-UHFFFAOYSA-N -1 1 238.287 2.532 20 5 BFBDMM CCCc1cc([N-]c2ccc([N+](=O)[O-])nc2)on1 ZINC001203561032 966690954 /nfs/dbraw/zinc/69/09/54/966690954.db2.gz TYCAPKDCORTWPU-UHFFFAOYSA-N -1 1 248.242 2.674 20 5 BFBDMM Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210392166 969882401 /nfs/dbraw/zinc/88/24/01/969882401.db2.gz CNFIVXVIAQNVBI-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM O=[N+]([O-])c1ccc(F)c([N-]c2ccno2)c1F ZINC001215287772 970698078 /nfs/dbraw/zinc/69/80/78/970698078.db2.gz VHDBEMGWVXHWMZ-UHFFFAOYSA-N -1 1 241.153 2.605 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC001229396431 976856663 /nfs/dbraw/zinc/85/66/63/976856663.db2.gz TYSRMXXAWYUPFC-YGOYTEALSA-N -1 1 249.266 2.868 20 5 BFBDMM C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396371 976857989 /nfs/dbraw/zinc/85/79/89/976857989.db2.gz SJTUQWCYNYXCNV-WPRPVWTQSA-N -1 1 237.255 2.868 20 5 BFBDMM CCC[C@@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259184 977546806 /nfs/dbraw/zinc/54/68/06/977546806.db2.gz GRVJHBMIMORMAF-MRVPVSSYSA-N -1 1 240.259 2.571 20 5 BFBDMM Cc1coc([N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC001175735624 977668762 /nfs/dbraw/zinc/66/87/62/977668762.db2.gz YKIQFSXFAQCUJP-UHFFFAOYSA-N -1 1 237.190 2.774 20 5 BFBDMM COc1cc([N-]c2ccc(C)cc2[N+](=O)[O-])no1 ZINC001214167658 964109609 /nfs/dbraw/zinc/10/96/09/964109609.db2.gz RWLQIMDRVMPBFA-UHFFFAOYSA-N -1 1 249.226 2.643 20 5 BFBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC001229397470 976857809 /nfs/dbraw/zinc/85/78/09/976857809.db2.gz IIPSQFHYXXEIGS-QMMMGPOBSA-N -1 1 237.255 2.868 20 5 BFBDMM C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396370 976858815 /nfs/dbraw/zinc/85/88/15/976858815.db2.gz SJTUQWCYNYXCNV-WCBMZHEXSA-N -1 1 237.255 2.868 20 5 BFBDMM CCC(CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231260752 977550475 /nfs/dbraw/zinc/55/04/75/977550475.db2.gz WMDLOMTVRJSQOB-UHFFFAOYSA-N -1 1 240.259 2.571 20 5 BFBDMM CCn1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000611411557 344607510 /nfs/dbraw/zinc/60/75/10/344607510.db2.gz BACDHKXWGPLWOM-UHFFFAOYSA-N -1 1 238.272 2.616 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2ccco2)ccc1[O-] ZINC001210396605 969883787 /nfs/dbraw/zinc/88/37/87/969883787.db2.gz VCSMAIAZZDSCQU-UHFFFAOYSA-N -1 1 220.184 2.637 20 5 BFBDMM CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225665425 974636019 /nfs/dbraw/zinc/63/60/19/974636019.db2.gz ZCVOSRNLKATXLT-VIFPVBQESA-N -1 1 240.259 2.509 20 5 BFBDMM CC(C)[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395882 976856911 /nfs/dbraw/zinc/85/69/11/976856911.db2.gz MUTGCCJHJAIJNL-MRVPVSSYSA-N -1 1 225.244 2.724 20 5 BFBDMM Cc1cc([O-])c(O[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC001229754404 976980162 /nfs/dbraw/zinc/98/01/62/976980162.db2.gz ONPMRROSTPPOKC-SECBINFHSA-N -1 1 235.239 2.706 20 5 BFBDMM O=[N+]([O-])c1cc(Nc2cnsc2)ccc1[O-] ZINC001210395855 969883032 /nfs/dbraw/zinc/88/30/32/969883032.db2.gz FWKRUWFRAGCFMT-UHFFFAOYSA-N -1 1 237.240 2.501 20 5 BFBDMM CCC(CC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398260 976856607 /nfs/dbraw/zinc/85/66/07/976856607.db2.gz SEWMWORPMNYHFU-UHFFFAOYSA-N -1 1 225.244 2.868 20 5 BFBDMM CCC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395947 976857094 /nfs/dbraw/zinc/85/70/94/976857094.db2.gz NSGUPPCZRROUMB-MRVPVSSYSA-N -1 1 225.244 2.868 20 5 BFBDMM Cc1ncccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393313 969881870 /nfs/dbraw/zinc/88/18/70/969881870.db2.gz YGLGGKQEAUCWPK-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM O=[N+]([O-])c1ccccc1[N-]c1nccs1 ZINC001206140315 974092296 /nfs/dbraw/zinc/09/22/96/974092296.db2.gz PXFQSQPEOXVCJI-UHFFFAOYSA-N -1 1 221.241 2.795 20 5 BFBDMM Cc1coc([N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001174475325 976793247 /nfs/dbraw/zinc/79/32/47/976793247.db2.gz HNRYJBLAZJAIQQ-UHFFFAOYSA-N -1 1 219.200 2.635 20 5 BFBDMM C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396369 976859022 /nfs/dbraw/zinc/85/90/22/976859022.db2.gz SJTUQWCYNYXCNV-SCZZXKLOSA-N -1 1 237.255 2.868 20 5 BFBDMM Cc1cc([O-])c(O[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC001229754405 976978764 /nfs/dbraw/zinc/97/87/64/976978764.db2.gz ONPMRROSTPPOKC-VIFPVBQESA-N -1 1 235.239 2.706 20 5 BFBDMM CC[C@@H](C)CON=c1[n-]cc(C)cc1[N+](=O)[O-] ZINC000291632537 385902142 /nfs/dbraw/zinc/90/21/42/385902142.db2.gz ANOFTUFFLPPFSQ-MRVPVSSYSA-N -1 1 239.275 2.688 20 5 BFBDMM CCCC[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667078 974635093 /nfs/dbraw/zinc/63/50/93/974635093.db2.gz OYLJLJVYPKCVPL-MRVPVSSYSA-N -1 1 240.259 2.653 20 5 BFBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC001229394756 976856981 /nfs/dbraw/zinc/85/69/81/976856981.db2.gz BSYHEGMQLCKBND-SBMIAAHKSA-N -1 1 247.250 2.644 20 5 BFBDMM CC[C@H](C)CON=c1[n-]ccc(C)c1[N+](=O)[O-] ZINC000291837927 171291480 /nfs/dbraw/zinc/29/14/80/171291480.db2.gz LOGVJIIGYPEQNB-QMMMGPOBSA-N -1 1 239.275 2.688 20 5 BFBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nccs1 ZINC001210949680 957956219 /nfs/dbraw/zinc/95/62/19/957956219.db2.gz LJADSXWLEUKVJN-UHFFFAOYSA-N -1 1 239.231 2.934 20 5 BFBDMM Cc1ccncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392599 969882586 /nfs/dbraw/zinc/88/25/86/969882586.db2.gz HTYVDGZEBKASPL-UHFFFAOYSA-N -1 1 245.238 2.747 20 5 BFBDMM CCCC[C@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664482 974630877 /nfs/dbraw/zinc/63/08/77/974630877.db2.gz OYLJLJVYPKCVPL-QMMMGPOBSA-N -1 1 240.259 2.653 20 5 BFBDMM CC[C@@H](C)[C@@H](C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225666492 974633560 /nfs/dbraw/zinc/63/35/60/974633560.db2.gz JQASBOKFAPTJIE-HTQZYQBOSA-N -1 1 240.259 2.509 20 5 BFBDMM CC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751239 976980600 /nfs/dbraw/zinc/98/06/00/976980600.db2.gz UAZGGSTWVWCHCQ-MRVPVSSYSA-N -1 1 225.244 2.786 20 5 BFBDMM Cc1cc([O-])c(OC2CC=CC2)cc1[N+](=O)[O-] ZINC001229750738 976981555 /nfs/dbraw/zinc/98/15/55/976981555.db2.gz RCVRZQIPQZUQTD-UHFFFAOYSA-N -1 1 235.239 2.706 20 5 BFBDMM CC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751240 976981708 /nfs/dbraw/zinc/98/17/08/976981708.db2.gz UAZGGSTWVWCHCQ-QMMMGPOBSA-N -1 1 225.244 2.786 20 5 BFBDMM CC(C)[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395883 976858358 /nfs/dbraw/zinc/85/83/58/976858358.db2.gz MUTGCCJHJAIJNL-QMMMGPOBSA-N -1 1 225.244 2.724 20 5 BFBDMM