smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000040590208 174346280 /nfs/dbraw/zinc/34/62/80/174346280.db2.gz XYGHXWJCKTXEPZ-UHFFFAOYSA-N -1 1 260.253 2.039 10 5 CEBEMM NN=c1nc[n-]c(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607696 174352977 /nfs/dbraw/zinc/35/29/77/174352977.db2.gz DTFLUSBUZPKCEH-UHFFFAOYSA-N -1 1 297.727 2.475 10 5 CEBEMM CCCOc1cc(N[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000111049040 186347819 /nfs/dbraw/zinc/34/78/19/186347819.db2.gz RPQLQUVYKUVDNR-MRVPVSSYSA-N -1 1 292.299 2.070 10 5 CEBEMM O=C(O)c1c[n-]c2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000006188124 170181418 /nfs/dbraw/zinc/18/14/18/170181418.db2.gz ASCPBNBFFZNVJH-UHFFFAOYSA-N -1 1 268.612 2.200 10 5 CEBEMM Cc1cc(Oc2[n-]cnc(=NN)c2[N+](=O)[O-])ccc1Cl ZINC000040656769 174365232 /nfs/dbraw/zinc/36/52/32/174365232.db2.gz TYUWUQQSCKCOBJ-UHFFFAOYSA-N -1 1 295.686 2.425 10 5 CEBEMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(CC(=O)[O-])C1 ZINC000086812350 179341950 /nfs/dbraw/zinc/34/19/50/179341950.db2.gz RQFXOXHMXBJWJL-SECBINFHSA-N -1 1 264.281 2.062 10 5 CEBEMM Cc1nn(C)cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000227285927 370365071 /nfs/dbraw/zinc/36/50/71/370365071.db2.gz KJQHAFDOOAFNAO-UHFFFAOYSA-N -1 1 267.676 2.429 10 5 CEBEMM Cc1cc(C)cc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000040583072 174345606 /nfs/dbraw/zinc/34/56/06/174345606.db2.gz SWYVVFDJXBNLBG-UHFFFAOYSA-N -1 1 260.253 2.039 10 5 CEBEMM Cc1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000040621238 174354770 /nfs/dbraw/zinc/35/47/70/174354770.db2.gz OMXBAFOWMWMPEV-UHFFFAOYSA-N -1 1 260.253 2.039 10 5 CEBEMM CCOC(=O)c1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC000575699638 366334191 /nfs/dbraw/zinc/33/41/91/366334191.db2.gz KYGDPFOKWYGUCG-UHFFFAOYSA-N -1 1 290.069 2.240 10 5 CEBEMM Nc1ccccc1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000040637946 174362248 /nfs/dbraw/zinc/36/22/48/174362248.db2.gz VIAUVSDWTLZIKK-UHFFFAOYSA-N -1 1 273.248 2.135 10 5 CEBEMM CCc1ccc(Oc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1 ZINC000040656830 174365367 /nfs/dbraw/zinc/36/53/67/174365367.db2.gz LCKXVCQMHJCORL-UHFFFAOYSA-N -1 1 275.268 2.025 10 5 CEBEMM O=[N+]([O-])c1cc(-c2nnc(-c3cccc(O)c3)[nH]2)ccc1[O-] ZINC000072237683 176346536 /nfs/dbraw/zinc/34/65/36/176346536.db2.gz COCSGGVRQQHGBV-UHFFFAOYSA-N -1 1 298.258 2.458 10 5 CEBEMM CC(C)Cc1nnc(-c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000072237767 176346804 /nfs/dbraw/zinc/34/68/04/176346804.db2.gz BIQGOHYRVWUGDU-UHFFFAOYSA-N -1 1 262.269 2.284 10 5 CEBEMM COc1ccc(OC)c2c(=O)c3c(O)cc([O-])cc3oc12 ZINC000014764478 361459766 /nfs/dbraw/zinc/45/97/66/361459766.db2.gz NZEMKDUWMYIOOL-UHFFFAOYSA-N -1 1 288.255 2.375 10 5 CEBEMM CCN(CCC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038024946 174009197 /nfs/dbraw/zinc/00/91/97/174009197.db2.gz ISNVHFFTTYCPQS-UHFFFAOYSA-N -1 1 270.260 2.031 10 5 CEBEMM CCCCS(=O)(=O)c1nc2cccc([N+](=O)[O-])c2[n-]1 ZINC000089195079 363947294 /nfs/dbraw/zinc/94/72/94/363947294.db2.gz UZVNLYAZXTZTCB-UHFFFAOYSA-N -1 1 283.309 2.045 10 5 CEBEMM COc1ccc(Cl)cc1Nc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC000040589766 174346264 /nfs/dbraw/zinc/34/62/64/174346264.db2.gz FOICXWPCYDRJTR-UHFFFAOYSA-N -1 1 296.670 2.084 10 5 CEBEMM Cc1ccc(N)c(C(=O)Nc2ccc([O-])cc2[N+](=O)[O-])c1 ZINC000071382955 176146106 /nfs/dbraw/zinc/14/61/06/176146106.db2.gz QGENFWCLQLBQSQ-UHFFFAOYSA-N -1 1 287.275 2.443 10 5 CEBEMM O=[N+]([O-])c1cc(-c2n[nH]c(-c3cccnc3)n2)ccc1[O-] ZINC000072237685 176346775 /nfs/dbraw/zinc/34/67/75/176346775.db2.gz PRZBMCWUKPGGRG-UHFFFAOYSA-N -1 1 283.247 2.148 10 5 CEBEMM Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC000125065231 187168010 /nfs/dbraw/zinc/16/80/10/187168010.db2.gz BUFWOQYBYAMAOK-MRVPVSSYSA-N -1 1 291.263 2.088 10 5 CEBEMM CCN(c1cccc(C)c1)c1[n-]cnc(=NN)c1[N+](=O)[O-] ZINC000040572443 174339366 /nfs/dbraw/zinc/33/93/66/174339366.db2.gz ZEWLHDRTSDDNOO-UHFFFAOYSA-N -1 1 288.311 2.137 10 5 CEBEMM O=c1[n-]cnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040659840 174365982 /nfs/dbraw/zinc/36/59/82/174365982.db2.gz XYHGNSLJCYFFRY-UHFFFAOYSA-N -1 1 284.634 2.214 10 5 CEBEMM O=C([O-])c1cnc2c(ccc3c(O)c([N+](=O)[O-])cnc32)c1 ZINC000033963271 304279328 /nfs/dbraw/zinc/27/93/28/304279328.db2.gz WNSJJSZSXGEBFT-UHFFFAOYSA-N -1 1 285.215 2.095 10 5 CEBEMM NN=c1nc[n-]c(Oc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040618475 174354106 /nfs/dbraw/zinc/35/41/06/174354106.db2.gz NZCRNVBHLWUWCM-UHFFFAOYSA-N -1 1 298.262 2.011 10 5 CEBEMM CNc1ccc(CSc2nccc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000050837603 522613351 /nfs/dbraw/zinc/61/33/51/522613351.db2.gz CUQHTZZPMVYXHL-UHFFFAOYSA-N -1 1 292.320 2.012 10 5 CEBEMM COC(=O)Sc1nc2cccc([N+](=O)[O-])c2[n-]1 ZINC000038869870 174158019 /nfs/dbraw/zinc/15/80/19/174158019.db2.gz GHMJYQUNXOSEAO-UHFFFAOYSA-N -1 1 253.239 2.330 10 5 CEBEMM Cc1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])cc1Cl ZINC000040591092 174347003 /nfs/dbraw/zinc/34/70/03/174347003.db2.gz SXBHRSHBFWYCFW-UHFFFAOYSA-N -1 1 280.671 2.384 10 5 CEBEMM O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)n[nH]2)ccc1[O-] ZINC000072237686 176346394 /nfs/dbraw/zinc/34/63/94/176346394.db2.gz YVZSTJFIEYAFLJ-UHFFFAOYSA-N -1 1 283.247 2.148 10 5 CEBEMM C[C@H](c1ccc([N+](=O)[O-])cc1)N1CC(CC(=O)[O-])C1 ZINC000086812048 179341274 /nfs/dbraw/zinc/34/12/74/179341274.db2.gz ZWUKPYOKBYGNML-SECBINFHSA-N -1 1 264.281 2.062 10 5 CEBEMM COc1cc(OC)c2c(=O)c3ccc([O-])cc3oc2c1O ZINC000014764334 361460626 /nfs/dbraw/zinc/46/06/26/361460626.db2.gz KTUWEEZXWATIOS-UHFFFAOYSA-N -1 1 288.255 2.375 10 5 CEBEMM O=[N+]([O-])c1cc2n[n-]c(Br)c2c([N+](=O)[O-])c1 ZINC000014983669 361463072 /nfs/dbraw/zinc/46/30/72/361463072.db2.gz PILNASVTIBPOLG-UHFFFAOYSA-N -1 1 287.029 2.142 10 5 CEBEMM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000107551376 186178312 /nfs/dbraw/zinc/17/83/12/186178312.db2.gz ZRGFDYAIVWBYIZ-RXMQYKEDSA-N -1 1 298.773 2.387 10 5 CEBEMM Cc1ccc(Oc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1 ZINC000040628889 174357438 /nfs/dbraw/zinc/35/74/38/174357438.db2.gz YAUBSFJFMUELQW-UHFFFAOYSA-N -1 1 289.295 2.374 10 5 CEBEMM O=c1[n-]cnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040649095 174364853 /nfs/dbraw/zinc/36/48/53/174364853.db2.gz AONHNDAEWKCLIG-UHFFFAOYSA-N -1 1 266.644 2.075 10 5 CEBEMM C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000263364292 289388458 /nfs/dbraw/zinc/38/84/58/289388458.db2.gz VNZPFYAMYQFXTH-MRVPVSSYSA-N -1 1 282.271 2.171 10 5 CEBEMM CCCc1c(N)nc(-c2cc([N+](=O)[O-])ccc2C)[n-]c1=O ZINC000110480323 186299256 /nfs/dbraw/zinc/29/92/56/186299256.db2.gz GXKVMQCYXGXPNW-UHFFFAOYSA-N -1 1 288.307 2.188 10 5 CEBEMM CCC1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193403354 369940232 /nfs/dbraw/zinc/94/02/32/369940232.db2.gz HCIGFECUSUPBOQ-UHFFFAOYSA-N -1 1 293.323 2.394 10 5 CEBEMM CCCc1cc(=O)[n-]c(-c2ccccc2[N+](=O)[O-])n1 ZINC000044732056 175240838 /nfs/dbraw/zinc/24/08/38/175240838.db2.gz JUQAXWJEZXCTHM-UHFFFAOYSA-N -1 1 259.265 2.298 10 5 CEBEMM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccccn3)n[nH]2)c1 ZINC000095619096 185016281 /nfs/dbraw/zinc/01/62/81/185016281.db2.gz VLPDOVOSYUMIOE-UHFFFAOYSA-N -1 1 283.247 2.148 10 5 CEBEMM CC[C@H](c1cccc([N+](=O)[O-])c1)N1CC(C(=O)[O-])C1 ZINC000086810568 179340874 /nfs/dbraw/zinc/34/08/74/179340874.db2.gz VZUIRSIKXSLKSZ-GFCCVEGCSA-N -1 1 264.281 2.062 10 5 CEBEMM CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000107551555 186178133 /nfs/dbraw/zinc/17/81/33/186178133.db2.gz HVQMKEHRIOESGY-UHFFFAOYSA-N -1 1 298.773 2.244 10 5 CEBEMM Cc1ccc(Oc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1C ZINC000040656836 174365221 /nfs/dbraw/zinc/36/52/21/174365221.db2.gz GWQAFYFYDLHELB-UHFFFAOYSA-N -1 1 275.268 2.080 10 5 CEBEMM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccncc3)n[nH]2)c1 ZINC000072237744 176346450 /nfs/dbraw/zinc/34/64/50/176346450.db2.gz LXFLLIJAAJGBKH-UHFFFAOYSA-N -1 1 283.247 2.148 10 5 CEBEMM O=C([O-])CCC1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000050926256 527575634 /nfs/dbraw/zinc/57/56/34/527575634.db2.gz INNLTFWIVLGHEX-UHFFFAOYSA-N -1 1 282.296 2.265 10 5 CEBEMM CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)CC(=O)[O-] ZINC000086762911 179325569 /nfs/dbraw/zinc/32/55/69/179325569.db2.gz LYLINFNZLTXYBZ-QMMMGPOBSA-N -1 1 272.326 2.341 10 5 CEBEMM CN(C)N=c1nc[n-]c(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040628886 174357405 /nfs/dbraw/zinc/35/74/05/174357405.db2.gz QABIKTOUFDAXFL-UHFFFAOYSA-N -1 1 275.268 2.066 10 5 CEBEMM Cc1ccc([N+](=O)[O-])cc1-c1nc(N)c(C(C)C)c(=O)[n-]1 ZINC000110480412 186299110 /nfs/dbraw/zinc/29/91/10/186299110.db2.gz JPTMEFVMLIZBLD-UHFFFAOYSA-N -1 1 288.307 2.359 10 5 CEBEMM COc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC000014821926 361461757 /nfs/dbraw/zinc/46/17/57/361461757.db2.gz QMJVWEDVTZEOLQ-UHFFFAOYSA-N -1 1 258.229 2.366 10 5 CEBEMM O=C([O-])c1cc(O)c2c(=O)c3cc(O)ccc3oc2c1 ZINC000077257232 304226375 /nfs/dbraw/zinc/22/63/75/304226375.db2.gz USCSVMOJRMFVQL-UHFFFAOYSA-N -1 1 272.212 2.056 10 5 CEBEMM CCN(c1cccc(C)c1)c1nc[n-]c(=O)c1[N+](=O)[O-] ZINC000040572515 174339406 /nfs/dbraw/zinc/33/94/06/174339406.db2.gz AFTISRORHAGXBC-UHFFFAOYSA-N -1 1 274.280 2.145 10 5 CEBEMM CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nccc(=O)[n-]1 ZINC000061570419 518293854 /nfs/dbraw/zinc/29/38/54/518293854.db2.gz UXNBYNDKFCPNCV-UHFFFAOYSA-N -1 1 291.288 2.444 10 5 CEBEMM C[C@@H](C(=O)[O-])N(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000263349866 154063888 /nfs/dbraw/zinc/06/38/88/154063888.db2.gz PDIORSJRZWEUHY-QMMMGPOBSA-N -1 1 282.271 2.171 10 5 CEBEMM CNc1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040595973 174348722 /nfs/dbraw/zinc/34/87/22/174348722.db2.gz RZYGKYVIRXGKKV-UHFFFAOYSA-N -1 1 281.222 2.448 10 5 CEBEMM O=[N+]([O-])c1cc(-c2nnc(-c3ccncc3)[nH]2)ccc1[O-] ZINC000072237675 176346552 /nfs/dbraw/zinc/34/65/52/176346552.db2.gz UKQAGVHIAFMHCG-UHFFFAOYSA-N -1 1 283.247 2.148 10 5 CEBEMM O=[N+]([O-])c1cccc(Cl)c1-c1n[nH]c(=S)[n-]1 ZINC000082514932 178078168 /nfs/dbraw/zinc/07/81/68/178078168.db2.gz ZVHIQLMBXLSVEO-UHFFFAOYSA-N -1 1 256.674 2.322 10 5 CEBEMM O=[N+]([O-])c1cccc(Cl)c1-c1n[n-]c(=S)[nH]1 ZINC000082514932 178078169 /nfs/dbraw/zinc/07/81/69/178078169.db2.gz ZVHIQLMBXLSVEO-UHFFFAOYSA-N -1 1 256.674 2.322 10 5 CEBEMM CC(C)(C)OC(=O)c1[n-]nc2cc([N+](=O)[O-])ccc21 ZINC000141109975 366563902 /nfs/dbraw/zinc/56/39/02/366563902.db2.gz RSGTXHWRSLRNNL-UHFFFAOYSA-N -1 1 263.253 2.426 10 5 CEBEMM O=c1c(-c2nn[n-]n2)coc2c3ccccc3ccc12 ZINC000095186859 364342016 /nfs/dbraw/zinc/34/20/16/364342016.db2.gz LBIIFWPYHLLIRW-UHFFFAOYSA-N -1 1 264.244 2.126 10 5 CEBEMM CN(C)N=c1[n-]c(-c2ccc([N+](=O)[O-])o2)cs1 ZINC000005965077 170163918 /nfs/dbraw/zinc/16/39/18/170163918.db2.gz QXSIYYQGSPCIHN-UHFFFAOYSA-N -1 1 254.271 2.200 10 5 CEBEMM CCN(Cc1csc([N+](=O)[O-])c1)[C@H](C)CC(=O)[O-] ZINC000086762915 179325832 /nfs/dbraw/zinc/32/58/32/179325832.db2.gz LYLINFNZLTXYBZ-MRVPVSSYSA-N -1 1 272.326 2.341 10 5 CEBEMM Cc1ccc([C@@H](C)N2CC(CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000086811591 179341426 /nfs/dbraw/zinc/34/14/26/179341426.db2.gz ZNPXDTPULWCYBU-SNVBAGLBSA-N -1 1 278.308 2.371 10 5 CEBEMM C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000263364293 154069020 /nfs/dbraw/zinc/06/90/20/154069020.db2.gz VNZPFYAMYQFXTH-QMMMGPOBSA-N -1 1 282.271 2.171 10 5 CEBEMM Cc1cc(C)cc(Oc2[n-]cnc(=NN)c2[N+](=O)[O-])c1 ZINC000040582742 174345629 /nfs/dbraw/zinc/34/56/29/174345629.db2.gz FQIHJEDFMDELCS-UHFFFAOYSA-N -1 1 275.268 2.080 10 5 CEBEMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)c1nn[n-]n1 ZINC000111290775 186390951 /nfs/dbraw/zinc/39/09/51/186390951.db2.gz HCDWDCZYDQQJNF-RXMQYKEDSA-N -1 1 284.226 2.219 10 5 CEBEMM COc1cc2oc3c([O-])cccc3c(=O)c2c(O)c1OC ZINC000014764105 361460183 /nfs/dbraw/zinc/46/01/83/361460183.db2.gz APPOIVIWJAIHBI-UHFFFAOYSA-N -1 1 288.255 2.375 10 5 biogenic,in-vitro CEBEMM O=[N+]([O-])c1cnc2c(c1)n([O-])nc2-c1ccccc1 ZINC000089219634 363950066 /nfs/dbraw/zinc/95/00/66/363950066.db2.gz DOTIALJLMNDQLQ-UHFFFAOYSA-N -1 1 256.221 2.244 10 5 CEBEMM Cc1ccc(Cl)cc1Nc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC000040592915 174347373 /nfs/dbraw/zinc/34/73/73/174347373.db2.gz HMTLUBOJTOZOJH-UHFFFAOYSA-N -1 1 280.671 2.384 10 5 CEBEMM O=C([N-]c1ccon1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000061685461 527466285 /nfs/dbraw/zinc/46/62/85/527466285.db2.gz NAYONZFFMHLZAN-UHFFFAOYSA-N -1 1 269.163 2.113 10 5 CEBEMM CCCOc1cc(N[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000111049037 186348024 /nfs/dbraw/zinc/34/80/24/186348024.db2.gz RPQLQUVYKUVDNR-QMMMGPOBSA-N -1 1 292.299 2.070 10 5 CEBEMM Cc1cc(O)c2c(=O)c3c(O)cc([O-])cc3cc-2o1 ZINC000014815122 560099047 /nfs/dbraw/zinc/09/90/47/560099047.db2.gz RVRLLYKHCMHGKV-UHFFFAOYSA-N -1 1 258.229 2.371 10 5 endogenous,in-man CEBEMM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000048707595 629441404 /nfs/dbraw/zinc/44/14/04/629441404.db2.gz JABAGICRUXIOSH-MRVPVSSYSA-N -1 1 290.316 2.057 10 5 CEBEMM CCc1nc(-c2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000110466169 186296855 /nfs/dbraw/zinc/29/68/55/186296855.db2.gz PJDVSNVDXWJPDB-UHFFFAOYSA-N -1 1 259.265 2.216 10 5 CEBEMM O=c1[n-]cnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040648175 174364828 /nfs/dbraw/zinc/36/48/28/174364828.db2.gz VJNDPUZVQSKUAO-UHFFFAOYSA-N -1 1 266.644 2.075 10 5 CEBEMM CCN(Cc1csc([N+](=O)[O-])c1)C[C@H](C)C(=O)[O-] ZINC000086761227 179325091 /nfs/dbraw/zinc/32/50/91/179325091.db2.gz LWMWMRDDEVNHHD-QMMMGPOBSA-N -1 1 272.326 2.199 10 5 CEBEMM O=c1cc(C2CC2)nc(-c2ccccc2[N+](=O)[O-])[n-]1 ZINC000109523893 186259291 /nfs/dbraw/zinc/25/92/91/186259291.db2.gz XZVFYLHAFWIIDA-UHFFFAOYSA-N -1 1 257.249 2.223 10 5 CEBEMM CN(C)N=c1nc[n-]c(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040625285 174356608 /nfs/dbraw/zinc/35/66/08/174356608.db2.gz SCDXNTQRYDSWND-UHFFFAOYSA-N -1 1 288.311 2.041 10 5 CEBEMM Cc1ccc2cccc(Nc3nc[n-]c(=O)c3[N+](=O)[O-])c2n1 ZINC000040626836 174356991 /nfs/dbraw/zinc/35/69/91/174356991.db2.gz UMIQEHVJCGPHIZ-UHFFFAOYSA-N -1 1 297.274 2.278 10 5 CEBEMM Cc1nc(Sc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n[nH]1 ZINC000043387305 175032765 /nfs/dbraw/zinc/03/27/65/175032765.db2.gz CQIDJYMLRVCKNJ-UHFFFAOYSA-N -1 1 294.292 2.179 10 5 CEBEMM 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C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)c1nn[n-]n1 ZINC000111290774 186390790 /nfs/dbraw/zinc/39/07/90/186390790.db2.gz HCDWDCZYDQQJNF-YFKPBYRVSA-N -1 1 284.226 2.219 10 5 CEBEMM COc1cc2nc(C(F)(F)F)[n-]c(=O)c2cc1[N+](=O)[O-] ZINC000575624032 366306104 /nfs/dbraw/zinc/30/61/04/366306104.db2.gz JWSIZIJYYMETAW-UHFFFAOYSA-N -1 1 289.169 2.271 10 5 CEBEMM CC[C@]1(C(=O)[O-])CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000086780420 179329612 /nfs/dbraw/zinc/32/96/12/179329612.db2.gz IHPQFYDRUPDEHO-LBPRGKRZSA-N -1 1 284.337 2.343 10 5 CEBEMM C[C@H](C(=O)[O-])N(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000263349865 154065788 /nfs/dbraw/zinc/06/57/88/154065788.db2.gz PDIORSJRZWEUHY-MRVPVSSYSA-N -1 1 282.271 2.171 10 5 CEBEMM CN(C)N=c1nc[n-]c(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040627464 174356873 /nfs/dbraw/zinc/35/68/73/174356873.db2.gz YYAGUELVLYSYMU-UHFFFAOYSA-N -1 1 292.274 2.156 10 5 CEBEMM Cc1ccc([C@H](C)N2CC(CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000086811594 179341548 /nfs/dbraw/zinc/34/15/48/179341548.db2.gz 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O=c1[n-]cnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000040621718 174354739 /nfs/dbraw/zinc/35/47/39/174354739.db2.gz MHEQWWNZBCSHOJ-UHFFFAOYSA-N -1 1 290.323 2.059 10 5 CEBEMM O=c1[n-]cnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040648645 174364806 /nfs/dbraw/zinc/36/48/06/174364806.db2.gz DNFGIFMNWJCKPI-UHFFFAOYSA-N -1 1 266.644 2.075 10 5 CEBEMM Cc1ccc(Sc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1 ZINC000040650296 174365020 /nfs/dbraw/zinc/36/50/20/174365020.db2.gz BWRNVMLDMAIPJD-UHFFFAOYSA-N -1 1 277.309 2.130 10 5 CEBEMM Cc1ccc(Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000040659877 174365874 /nfs/dbraw/zinc/36/58/74/174365874.db2.gz VVOJXYQFEOAKMZ-UHFFFAOYSA-N -1 1 261.237 2.500 10 5 CEBEMM CCc1c(C)nc(-c2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000044732062 175241000 /nfs/dbraw/zinc/24/10/00/175241000.db2.gz BWNZOANHAFPCOA-UHFFFAOYSA-N -1 1 259.265 2.216 10 5 CEBEMM Cc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000186828202 369054039 /nfs/dbraw/zinc/05/40/39/369054039.db2.gz 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