smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000076064897 363515428 /nfs/dbraw/zinc/51/54/28/363515428.db2.gz ATVMLMFLXCDULW-LLVKDONJSA-N 1 2 275.312 2.243 50 5 CEBALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000012523665 361388251 /nfs/dbraw/zinc/38/82/51/361388251.db2.gz HMZXSRSCXSDLOG-UHFFFAOYSA-N 1 2 296.286 2.173 50 5 CEBALO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000019607171 361545569 /nfs/dbraw/zinc/54/55/69/361545569.db2.gz PDCWUKWDEMRFTJ-QWRGUYRKSA-N 1 2 250.298 2.204 50 5 CEBALO CNc1ccc(Nc2ncc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000092612339 364087863 /nfs/dbraw/zinc/08/78/63/364087863.db2.gz SZILFXMEEUNXOW-UHFFFAOYSA-N 1 2 259.269 2.479 50 5 CEBALO C[C@@H]1COC2(CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)O1 ZINC000071915727 176299614 /nfs/dbraw/zinc/29/96/14/176299614.db2.gz PGMILJKBXZWFQB-SNVBAGLBSA-N 1 2 298.364 2.384 50 5 CEBALO CSC[C@H](C)[N@H+](C)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000093558354 364199449 /nfs/dbraw/zinc/19/94/49/364199449.db2.gz ZOJFUCIVXKPUOR-VIFPVBQESA-N 1 2 270.354 2.484 50 5 CEBALO CSC[C@H](C)[N@@H+](C)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000093558354 364199451 /nfs/dbraw/zinc/19/94/51/364199451.db2.gz ZOJFUCIVXKPUOR-VIFPVBQESA-N 1 2 270.354 2.484 50 5 CEBALO CCOc1cccc(N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000097377483 364496296 /nfs/dbraw/zinc/49/62/96/364496296.db2.gz OEQYILMBAKHGMI-UHFFFAOYSA-N 1 2 290.323 2.363 50 5 CEBALO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000004977946 134652654 /nfs/dbraw/zinc/65/26/54/134652654.db2.gz CBNDGPBOIMUAHN-UHFFFAOYSA-N 1 2 298.346 2.312 50 5 CEBALO Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1/C=C\[NH+](C)C ZINC000033723439 343417828 /nfs/dbraw/zinc/41/78/28/343417828.db2.gz SXJBZGFBUCAQRP-FPLPWBNLSA-N 1 2 252.318 2.158 50 5 CEBALO O=C(NCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000012523627 361387815 /nfs/dbraw/zinc/38/78/15/361387815.db2.gz BKSQSFSQYIGUAC-UHFFFAOYSA-N 1 2 296.286 2.173 50 5 CEBALO C[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000023115142 361593987 /nfs/dbraw/zinc/59/39/87/361593987.db2.gz XIGGMEHFOAGNCY-QWRGUYRKSA-N 1 2 250.298 2.204 50 5 CEBALO CC(C)Cn1cc[nH+]c1CNc1ccncc1[N+](=O)[O-] ZINC000095403280 364360014 /nfs/dbraw/zinc/36/00/14/364360014.db2.gz IPNAPDFZBSLIJY-UHFFFAOYSA-N 1 2 275.312 2.454 50 5 CEBALO CC[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000045885922 279373056 /nfs/dbraw/zinc/37/30/56/279373056.db2.gz QNVWSWSEVQQEEP-UHFFFAOYSA-N 1 2 269.732 2.390 50 5 CEBALO CC[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000012934705 361410435 /nfs/dbraw/zinc/41/04/35/361410435.db2.gz PWSVBGKECWPZCO-ZDUSSCGKSA-N 1 2 290.323 2.013 50 5 CEBALO CC[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000012934705 361410437 /nfs/dbraw/zinc/41/04/37/361410437.db2.gz PWSVBGKECWPZCO-ZDUSSCGKSA-N 1 2 290.323 2.013 50 5 CEBALO O=[N+]([O-])c1ccc(N2CCCC2)c(Cn2cc[nH+]c2)c1 ZINC000004334372 361312538 /nfs/dbraw/zinc/31/25/38/361312538.db2.gz DYCNPDHQBILIME-UHFFFAOYSA-N 1 2 272.308 2.440 50 5 CEBALO Cc1ccc([N+](=O)[O-])c(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020652746 171269177 /nfs/dbraw/zinc/26/91/77/171269177.db2.gz GSXTXISIEHKLME-STQMWFEESA-N 1 2 294.351 2.391 50 5 CEBALO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000055530479 362552208 /nfs/dbraw/zinc/55/22/08/362552208.db2.gz NVOBOJRQJMYAQY-UHFFFAOYSA-N 1 2 298.346 2.312 50 5 CEBALO COc1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353840411 220359700 /nfs/dbraw/zinc/35/97/00/220359700.db2.gz HMDOVXUAPZLSII-UHFFFAOYSA-N 1 2 287.275 2.180 50 5 CEBALO Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1/C=C/[NH+](C)C ZINC000075273527 343844371 /nfs/dbraw/zinc/84/43/71/343844371.db2.gz SXJBZGFBUCAQRP-BQYQJAHWSA-N 1 2 252.318 2.158 50 5 CEBALO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(O)(C2CC2)C1 ZINC000170091576 344484771 /nfs/dbraw/zinc/48/47/71/344484771.db2.gz LXHFTLJHLCZGEP-HWKANZROSA-N 1 2 274.320 2.065 50 5 CEBALO COC(=O)c1cccc([N+](=O)[O-])c1C[NH+]1CCCCC1 ZINC000063111023 362750660 /nfs/dbraw/zinc/75/06/60/362750660.db2.gz GKTMBSKVBMSORC-UHFFFAOYSA-N 1 2 278.308 2.367 50 5 CEBALO O=[N+]([O-])c1cccnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000012629522 361394045 /nfs/dbraw/zinc/39/40/45/361394045.db2.gz WJAWAQMYXLVUTN-UHFFFAOYSA-N 1 2 296.290 2.183 50 5 CEBALO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)cc1OC(F)F ZINC000092583350 364083982 /nfs/dbraw/zinc/08/39/82/364083982.db2.gz RMPYNNNTWIQCSX-UHFFFAOYSA-N 1 2 255.180 2.382 50 5 CEBALO COc1ccc(NC(=O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000004833082 170025894 /nfs/dbraw/zinc/02/58/94/170025894.db2.gz AXHVWRYUBUPOEJ-UHFFFAOYSA-N 1 2 293.323 2.028 50 5 CEBALO O=[N+]([O-])c1ccc(COCc2[nH]cc[nH+]2)c(F)c1 ZINC000096494657 230383907 /nfs/dbraw/zinc/38/39/07/230383907.db2.gz GSODRGYCENYIBU-UHFFFAOYSA-N 1 2 251.217 2.174 50 5 CEBALO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000053215663 280374960 /nfs/dbraw/zinc/37/49/60/280374960.db2.gz HQUOITHTONPOJN-UHFFFAOYSA-N 1 2 298.346 2.312 50 5 CEBALO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)nc1 ZINC000047405369 362207136 /nfs/dbraw/zinc/20/71/36/362207136.db2.gz IJMIYCAPPIRXKS-UHFFFAOYSA-N 1 2 273.296 2.299 50 5 CEBALO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)nc1 ZINC000012629636 361395182 /nfs/dbraw/zinc/39/51/82/361395182.db2.gz VTLDHSXVJXJGSB-UHFFFAOYSA-N 1 2 296.290 2.183 50 5 CEBALO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013153568 361421203 /nfs/dbraw/zinc/42/12/03/361421203.db2.gz FCYJLRKXYVYLEN-TXEJJXNPSA-N 1 2 280.324 2.083 50 5 CEBALO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013153568 361421206 /nfs/dbraw/zinc/42/12/06/361421206.db2.gz FCYJLRKXYVYLEN-TXEJJXNPSA-N 1 2 280.324 2.083 50 5 CEBALO Cc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167799 171040534 /nfs/dbraw/zinc/04/05/34/171040534.db2.gz LPQPPEMRNGDHPA-STQMWFEESA-N 1 2 294.351 2.391 50 5 CEBALO O=C(NCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000033040311 361771746 /nfs/dbraw/zinc/77/17/46/361771746.db2.gz HTTWFDHVFUKEBF-UHFFFAOYSA-N 1 2 289.295 2.003 50 5 CEBALO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000072281367 363126003 /nfs/dbraw/zinc/12/60/03/363126003.db2.gz QDXRZNXELAMLPM-UHFFFAOYSA-N 1 2 299.333 2.161 50 5 CEBALO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2)c1 ZINC000170615134 367387233 /nfs/dbraw/zinc/38/72/33/367387233.db2.gz MMHFWONTHXARKR-UHFFFAOYSA-N 1 2 258.281 2.493 50 5 CEBALO CSC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000093558220 364199070 /nfs/dbraw/zinc/19/90/70/364199070.db2.gz BFYZMCYBMOCKOL-VIFPVBQESA-N 1 2 270.354 2.484 50 5 CEBALO CSC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000093558220 364199074 /nfs/dbraw/zinc/19/90/74/364199074.db2.gz BFYZMCYBMOCKOL-VIFPVBQESA-N 1 2 270.354 2.484 50 5 CEBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOCC12CCCC2 ZINC000093840498 364234669 /nfs/dbraw/zinc/23/46/69/364234669.db2.gz BRIHGCNTWYGVPF-UHFFFAOYSA-N 1 2 292.335 2.445 50 5 CEBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOCC12CCCC2 ZINC000093840498 364234675 /nfs/dbraw/zinc/23/46/75/364234675.db2.gz BRIHGCNTWYGVPF-UHFFFAOYSA-N 1 2 292.335 2.445 50 5 CEBALO O=[N+]([O-])c1cc2cnn(CCn3cc[nH+]c3)c2c(Cl)c1 ZINC000095983960 185054716 /nfs/dbraw/zinc/05/47/16/185054716.db2.gz UFEUETKSEQYZQF-UHFFFAOYSA-N 1 2 291.698 2.495 50 5 CEBALO C[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000032825437 361759336 /nfs/dbraw/zinc/75/93/36/361759336.db2.gz WBUHZNXITFZYEX-UHFFFAOYSA-N 1 2 291.351 2.085 50 5 CEBALO C[N@@H+](CC(=O)NC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000032825437 361759339 /nfs/dbraw/zinc/75/93/39/361759339.db2.gz WBUHZNXITFZYEX-UHFFFAOYSA-N 1 2 291.351 2.085 50 5 CEBALO COc1cc(NCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000170595114 367384131 /nfs/dbraw/zinc/38/41/31/367384131.db2.gz BFOGSKATSAJZIP-UHFFFAOYSA-N 1 2 280.259 2.051 50 5 CEBALO CCCC[NH+]1C=CC(=C2N=c3cccc([N+](=O)[O-])c3=N2)C=C1 ZINC000013136135 329531552 /nfs/dbraw/zinc/53/15/52/329531552.db2.gz QXYLNEOZDMNTIJ-UHFFFAOYSA-N 1 2 296.330 2.202 50 5 CEBALO O=[N+]([O-])c1cc(C[NH+]2CCCC2)c2cccnc2c1O ZINC000020119324 361580764 /nfs/dbraw/zinc/58/07/64/361580764.db2.gz ZRJDLIPVEZBXHD-UHFFFAOYSA-N 1 2 273.292 2.444 50 5 CEBALO Nc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000170610798 367387523 /nfs/dbraw/zinc/38/75/23/367387523.db2.gz PRDNHWFKHZQJOI-UHFFFAOYSA-N 1 2 279.687 2.233 50 5 CEBALO Cn1c(/C=C/[NH+](C)C)c(C=O)c2cc([N+](=O)[O-])ccc21 ZINC000013163090 394464133 /nfs/dbraw/zinc/46/41/33/394464133.db2.gz IAGYQPKLIIOSPO-VOTSOKGWSA-N 1 2 273.292 2.431 50 5 CEBALO CC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087765 174188137 /nfs/dbraw/zinc/18/81/37/174188137.db2.gz NBMAATJIVJTSAL-GFCCVEGCSA-N 1 2 293.367 2.331 50 5 CEBALO CC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087765 174188139 /nfs/dbraw/zinc/18/81/39/174188139.db2.gz NBMAATJIVJTSAL-GFCCVEGCSA-N 1 2 293.367 2.331 50 5 CEBALO C[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000003894076 282966449 /nfs/dbraw/zinc/96/64/49/282966449.db2.gz SKTYGQGYDUZEPT-UHFFFAOYSA-N 1 2 255.705 2.000 50 5 CEBALO Cc1c[nH+]ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000072281368 363125609 /nfs/dbraw/zinc/12/56/09/363125609.db2.gz SYRIJOCIHUWILY-UHFFFAOYSA-N 1 2 293.304 2.099 50 5 CEBALO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000003879146 394453935 /nfs/dbraw/zinc/45/39/35/394453935.db2.gz UFFIYCVVTWWGGH-UHFFFAOYSA-N 1 2 255.705 2.000 50 5 CEBALO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000023115140 394474988 /nfs/dbraw/zinc/47/49/88/394474988.db2.gz XIGGMEHFOAGNCY-PHIMTYICSA-N 1 2 250.298 2.204 50 5 CEBALO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000023115140 394474995 /nfs/dbraw/zinc/47/49/95/394474995.db2.gz XIGGMEHFOAGNCY-PHIMTYICSA-N 1 2 250.298 2.204 50 5 CEBALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])o1 ZINC000025006707 361618729 /nfs/dbraw/zinc/61/87/29/361618729.db2.gz CNZMPIAKMWWNOY-UHFFFAOYSA-N 1 2 299.246 2.021 50 5 CEBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cc[nH+]c1 ZINC000049067125 362330681 /nfs/dbraw/zinc/33/06/81/362330681.db2.gz CSFMHQYJWKUIIL-UHFFFAOYSA-N 1 2 274.280 2.129 50 5 CEBALO O=C(NCCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000058246396 362615696 /nfs/dbraw/zinc/61/56/96/362615696.db2.gz ZSQPFQCVODSXNO-UHFFFAOYSA-N 1 2 288.307 2.002 50 5 CEBALO CC(C)(C)OC(=O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000044126841 175144102 /nfs/dbraw/zinc/14/41/02/175144102.db2.gz IFDCUSLUDNJZQY-UHFFFAOYSA-N 1 2 280.324 2.069 50 5 CEBALO C[C@H]1COC2(CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)O1 ZINC000071915728 176299211 /nfs/dbraw/zinc/29/92/11/176299211.db2.gz PGMILJKBXZWFQB-JTQLQIEISA-N 1 2 298.364 2.384 50 5 CEBALO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000019607168 361545580 /nfs/dbraw/zinc/54/55/80/361545580.db2.gz PDCWUKWDEMRFTJ-GHMZBOCLSA-N 1 2 250.298 2.204 50 5 CEBALO CN(Cc1ccc(N)[nH+]c1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000127109281 187282878 /nfs/dbraw/zinc/28/28/78/187282878.db2.gz SFCHBPORYUSQKJ-UHFFFAOYSA-N 1 2 293.714 2.257 50 5 CEBALO Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000079029274 363567152 /nfs/dbraw/zinc/56/71/52/363567152.db2.gz DRIFXZWJCSLLEZ-UHFFFAOYSA-N 1 2 293.304 2.099 50 5 CEBALO O=[N+]([O-])c1ccccc1CN(Cc1[nH]cc[nH+]1)C1CC1 ZINC000095432402 296513824 /nfs/dbraw/zinc/51/38/24/296513824.db2.gz FFSYLOVVTCNWFY-UHFFFAOYSA-N 1 2 272.308 2.483 50 5 CEBALO Cc1cccc(OCC[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000071792418 176263490 /nfs/dbraw/zinc/26/34/90/176263490.db2.gz JYBSEMKZXVLONN-UHFFFAOYSA-N 1 2 290.323 2.068 50 5 CEBALO Cc1cccc(OCC[N@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000071792418 176263492 /nfs/dbraw/zinc/26/34/92/176263492.db2.gz JYBSEMKZXVLONN-UHFFFAOYSA-N 1 2 290.323 2.068 50 5 CEBALO CC1=C(c2ccc([N+](=O)[O-])cc2)N2CCCCCC2=[NH+]N1 ZINC000071787237 363114654 /nfs/dbraw/zinc/11/46/54/363114654.db2.gz TWPOFKRWTRAVPC-UHFFFAOYSA-N 1 2 286.335 2.439 50 5 CEBALO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000000241391 361150775 /nfs/dbraw/zinc/15/07/75/361150775.db2.gz VOVWXRBCGOSETA-LLVKDONJSA-N 1 2 270.716 2.205 50 5 CEBALO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000000241391 361150778 /nfs/dbraw/zinc/15/07/78/361150778.db2.gz VOVWXRBCGOSETA-LLVKDONJSA-N 1 2 270.716 2.205 50 5 CEBALO Cc1nn(Cc2cn3cccc(C)c3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000007738202 170299631 /nfs/dbraw/zinc/29/96/31/170299631.db2.gz RLXKIPOCMDGJCI-UHFFFAOYSA-N 1 2 285.307 2.413 50 5 CEBALO C[C@@H]1C[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000023990695 361604725 /nfs/dbraw/zinc/60/47/25/361604725.db2.gz UJMFGTWEISVSRM-GHMZBOCLSA-N 1 2 290.323 2.011 50 5 CEBALO CC(C)(O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000096403958 394680970 /nfs/dbraw/zinc/68/09/70/394680970.db2.gz KSYBVFIYJCIQNT-UHFFFAOYSA-N 1 2 261.281 2.229 50 5 CEBALO CCOC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])s2)CC1 ZINC000000238738 361150890 /nfs/dbraw/zinc/15/08/90/361150890.db2.gz RXPVAANKJVKBED-UHFFFAOYSA-N 1 2 298.364 2.431 50 5 CEBALO CNc1ccc(Nc2ccc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000096472167 533065187 /nfs/dbraw/zinc/06/51/87/533065187.db2.gz STPAWRKCWITQDM-UHFFFAOYSA-N 1 2 259.269 2.479 50 5 CEBALO Cc1nn(C)c(NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000076063924 363513869 /nfs/dbraw/zinc/51/38/69/363513869.db2.gz FHNSSTVOQPALLW-UHFFFAOYSA-N 1 2 292.343 2.101 50 5 CEBALO CSC[C@@H](C)[N@H+](C)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000093558355 364199578 /nfs/dbraw/zinc/19/95/78/364199578.db2.gz ZOJFUCIVXKPUOR-SECBINFHSA-N 1 2 270.354 2.484 50 5 CEBALO CSC[C@@H](C)[N@@H+](C)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000093558355 364199582 /nfs/dbraw/zinc/19/95/82/364199582.db2.gz ZOJFUCIVXKPUOR-SECBINFHSA-N 1 2 270.354 2.484 50 5 CEBALO O=C(c1ccc([N+](=O)[O-])cc1)N1C[NH2+]Cc2ccccc21 ZINC000032107510 343411146 /nfs/dbraw/zinc/41/11/46/343411146.db2.gz CNRUPAUWFUPSJA-UHFFFAOYSA-N 1 2 283.287 2.302 50 5 CEBALO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(O)CC2)c1 ZINC000000239072 361150836 /nfs/dbraw/zinc/15/08/36/361150836.db2.gz LBMLEUNMIUPYDG-UHFFFAOYSA-N 1 2 270.716 2.205 50 5 CEBALO CC[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000012934699 361410097 /nfs/dbraw/zinc/41/00/97/361410097.db2.gz PWSVBGKECWPZCO-CYBMUJFWSA-N 1 2 290.323 2.013 50 5 CEBALO CC[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000012934699 361410100 /nfs/dbraw/zinc/41/01/00/361410100.db2.gz PWSVBGKECWPZCO-CYBMUJFWSA-N 1 2 290.323 2.013 50 5 CEBALO CCc1nc2cc(C)nn2c2[nH+]c3ccccc3n21 ZINC000000547155 281516395 /nfs/dbraw/zinc/51/63/95/281516395.db2.gz WCLXSBNGFKBQMT-UHFFFAOYSA-N 1 2 251.293 2.401 50 5 CEBALO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097238689 277148874 /nfs/dbraw/zinc/14/88/74/277148874.db2.gz FDBWILLZFGCEBM-UHFFFAOYSA-N 1 2 299.758 2.334 50 5 CEBALO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097238689 277148875 /nfs/dbraw/zinc/14/88/75/277148875.db2.gz FDBWILLZFGCEBM-UHFFFAOYSA-N 1 2 299.758 2.334 50 5 CEBALO Cc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167793 171040799 /nfs/dbraw/zinc/04/07/99/171040799.db2.gz LPQPPEMRNGDHPA-CHWSQXEVSA-N 1 2 294.351 2.391 50 5 CEBALO Cc1[nH]c(CNc2cc(C)c([N+](=O)[O-])cn2)[nH+]c1C ZINC000952965233 815080618 /nfs/dbraw/zinc/08/06/18/815080618.db2.gz ZUVNSFAMTRDPGW-UHFFFAOYSA-N 1 2 261.285 2.250 50 5 CEBALO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000195557074 344521985 /nfs/dbraw/zinc/52/19/85/344521985.db2.gz MKFVWTTZNRLFLA-UHFFFAOYSA-N 1 2 273.248 2.256 50 5 CEBALO C[C@H](Cn1cc[nH+]c1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000042375594 394503535 /nfs/dbraw/zinc/50/35/35/394503535.db2.gz VWHIGCJUWLKVAE-MRVPVSSYSA-N 1 2 292.324 2.001 50 5 CEBALO Cc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167796 171040892 /nfs/dbraw/zinc/04/08/92/171040892.db2.gz LPQPPEMRNGDHPA-BETUJISGSA-N 1 2 294.351 2.391 50 5 CEBALO Cc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167796 171040894 /nfs/dbraw/zinc/04/08/94/171040894.db2.gz LPQPPEMRNGDHPA-BETUJISGSA-N 1 2 294.351 2.391 50 5 CEBALO CCc1cn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c[nH+]1 ZINC000952883985 815077998 /nfs/dbraw/zinc/07/79/98/815077998.db2.gz QHXGRACQVFFEPN-UHFFFAOYSA-N 1 2 289.291 2.269 50 5 CEBALO CC(C)([NH2+]Cc1csnn1)c1ccc([N+](=O)[O-])cc1 ZINC000097377502 321695191 /nfs/dbraw/zinc/69/51/91/321695191.db2.gz QOAIJCZLHAVDPL-UHFFFAOYSA-N 1 2 278.337 2.471 50 5 CEBALO CCN1CNC(SCc2ccc([N+](=O)[O-])cc2)=[NH+]C1 ZINC000000144771 361135178 /nfs/dbraw/zinc/13/51/78/361135178.db2.gz RZARXVMLIZLZNT-UHFFFAOYSA-N 1 2 280.353 2.024 50 5 CEBALO O=C1C[N@H+](Cc2nc3ccccc3c3ccccc32)CCN1 ZINC000057270873 542369015 /nfs/dbraw/zinc/36/90/15/542369015.db2.gz FLNSNKFUUYRQRD-UHFFFAOYSA-N 1 2 291.354 2.320 50 5 CEBALO O=C1C[N@@H+](Cc2nc3ccccc3c3ccccc32)CCN1 ZINC000057270873 542369019 /nfs/dbraw/zinc/36/90/19/542369019.db2.gz FLNSNKFUUYRQRD-UHFFFAOYSA-N 1 2 291.354 2.320 50 5 CEBALO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000050064329 362395726 /nfs/dbraw/zinc/39/57/26/362395726.db2.gz WIUUXCKPHHJYQW-CYBMUJFWSA-N 1 2 278.308 2.122 50 5 CEBALO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000050064329 362395729 /nfs/dbraw/zinc/39/57/29/362395729.db2.gz WIUUXCKPHHJYQW-CYBMUJFWSA-N 1 2 278.308 2.122 50 5 CEBALO Cc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000339089616 214947491 /nfs/dbraw/zinc/94/74/91/214947491.db2.gz DXDNDPNEUYLCLK-UHFFFAOYSA-N 1 2 272.308 2.325 50 5 CEBALO Cc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000339089616 214947493 /nfs/dbraw/zinc/94/74/93/214947493.db2.gz DXDNDPNEUYLCLK-UHFFFAOYSA-N 1 2 272.308 2.325 50 5 CEBALO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000000241398 361150665 /nfs/dbraw/zinc/15/06/65/361150665.db2.gz VOVWXRBCGOSETA-NSHDSACASA-N 1 2 270.716 2.205 50 5 CEBALO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000000241398 361150666 /nfs/dbraw/zinc/15/06/66/361150666.db2.gz VOVWXRBCGOSETA-NSHDSACASA-N 1 2 270.716 2.205 50 5 CEBALO O=[N+]([O-])c1ccccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000006250563 361336961 /nfs/dbraw/zinc/33/69/61/361336961.db2.gz QMOVZNAFGIAXEC-UHFFFAOYSA-N 1 2 284.319 2.316 50 5 CEBALO Cc1ccc(OCCOCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008311001 170330303 /nfs/dbraw/zinc/33/03/03/170330303.db2.gz LCCAYEXADXUIBI-UHFFFAOYSA-N 1 2 291.307 2.195 50 5 CEBALO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000012693677 361396072 /nfs/dbraw/zinc/39/60/72/361396072.db2.gz UJMFGTWEISVSRM-PHIMTYICSA-N 1 2 290.323 2.011 50 5 CEBALO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000012693677 361396077 /nfs/dbraw/zinc/39/60/77/361396077.db2.gz UJMFGTWEISVSRM-PHIMTYICSA-N 1 2 290.323 2.011 50 5 CEBALO O=[N+]([O-])c1cc(F)cc(OCCCn2cc[nH+]c2)c1 ZINC000097114976 364458025 /nfs/dbraw/zinc/45/80/25/364458025.db2.gz XUOHDTCZOYQHDT-UHFFFAOYSA-N 1 2 265.244 2.400 50 5 CEBALO CCC(CC)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000032825439 361759294 /nfs/dbraw/zinc/75/92/94/361759294.db2.gz RZBJBJOHAXGFBX-UHFFFAOYSA-N 1 2 293.367 2.331 50 5 CEBALO CCC(CC)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000032825439 361759299 /nfs/dbraw/zinc/75/92/99/361759299.db2.gz RZBJBJOHAXGFBX-UHFFFAOYSA-N 1 2 293.367 2.331 50 5 CEBALO CN(C)c1cc(CNc2cc(N)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000192776259 529772792 /nfs/dbraw/zinc/77/27/92/529772792.db2.gz IZISPKGFEZNROU-UHFFFAOYSA-N 1 2 287.323 2.250 50 5 CEBALO Cc1cnc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000076064901 176896613 /nfs/dbraw/zinc/89/66/13/176896613.db2.gz ATVMLMFLXCDULW-NSHDSACASA-N 1 2 275.312 2.243 50 5 CEBALO COc1cc(C[NH+]2CCSCC2)c([N+](=O)[O-])cc1OC ZINC000055543531 362552749 /nfs/dbraw/zinc/55/27/49/362552749.db2.gz AHKUTGYREKAVPH-UHFFFAOYSA-N 1 2 298.364 2.161 50 5 CEBALO Cc1c(NC(=O)CCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000049067129 362330398 /nfs/dbraw/zinc/33/03/98/362330398.db2.gz QRJMLISKLLORAW-UHFFFAOYSA-N 1 2 274.280 2.129 50 5 CEBALO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004978363 361330755 /nfs/dbraw/zinc/33/07/55/361330755.db2.gz ULYPKTSOBGREPB-UHFFFAOYSA-N 1 2 298.346 2.312 50 5 CEBALO CCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346602 361638754 /nfs/dbraw/zinc/63/87/54/361638754.db2.gz CWOMEDWAHWSMNN-GFCCVEGCSA-N 1 2 293.367 2.331 50 5 CEBALO CCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346602 361638756 /nfs/dbraw/zinc/63/87/56/361638756.db2.gz CWOMEDWAHWSMNN-GFCCVEGCSA-N 1 2 293.367 2.331 50 5 CEBALO O=[N+]([O-])c1cccnc1NCCCNc1cccc[nH+]1 ZINC000047405355 362206507 /nfs/dbraw/zinc/20/65/07/362206507.db2.gz WNVXEWVUYXNIRB-UHFFFAOYSA-N 1 2 273.296 2.299 50 5 CEBALO CC(C)Cn1cc[nH+]c1CNc1ncccc1[N+](=O)[O-] ZINC000078336770 177333732 /nfs/dbraw/zinc/33/37/32/177333732.db2.gz MJYVHJFWBUEJQQ-UHFFFAOYSA-N 1 2 275.312 2.454 50 5 CEBALO CN(CCCNc1ncccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC000952993629 616075414 /nfs/dbraw/zinc/07/54/14/616075414.db2.gz IVIJTTKDKHGNMK-UHFFFAOYSA-N 1 2 287.323 2.323 50 5 CEBALO O=[N+]([O-])c1cccnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000058156754 362609886 /nfs/dbraw/zinc/60/98/86/362609886.db2.gz KNWSBAWREHNEQR-UHFFFAOYSA-N 1 2 273.296 2.028 50 5 CEBALO O=C(Nc1cc[nH+]cc1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000097237549 364486070 /nfs/dbraw/zinc/48/60/70/364486070.db2.gz LKSGBKYRQSHLCF-UHFFFAOYSA-N 1 2 277.211 2.087 50 5 CEBALO Cc1cc(SCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000092584552 344195653 /nfs/dbraw/zinc/19/56/53/344195653.db2.gz QNXLLSWIERGAFF-UHFFFAOYSA-N 1 2 282.365 2.328 50 5 CEBALO CSC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000093558221 364199000 /nfs/dbraw/zinc/19/90/00/364199000.db2.gz BFYZMCYBMOCKOL-SECBINFHSA-N 1 2 270.354 2.484 50 5 CEBALO CSC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000093558221 364199004 /nfs/dbraw/zinc/19/90/04/364199004.db2.gz BFYZMCYBMOCKOL-SECBINFHSA-N 1 2 270.354 2.484 50 5 CEBALO COc1cc(NCCn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000097115220 364457447 /nfs/dbraw/zinc/45/74/47/364457447.db2.gz CHQXIWDDAFBPAV-UHFFFAOYSA-N 1 2 280.259 2.051 50 5 CEBALO O=[N+]([O-])c1cccnc1SCCCn1cc[nH+]c1 ZINC000185531926 395280636 /nfs/dbraw/zinc/28/06/36/395280636.db2.gz ODQFAVCSFVNBLE-UHFFFAOYSA-N 1 2 264.310 2.369 50 5 CEBALO CCOC(=O)Cn1c[nH+]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000000301681 361159159 /nfs/dbraw/zinc/15/91/59/361159159.db2.gz FJORANAZWVMHEH-UHFFFAOYSA-N 1 2 275.264 2.021 50 5 CEBALO C[NH+]1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000000036170 276930251 /nfs/dbraw/zinc/93/02/51/276930251.db2.gz BBEHRXGLHAJECJ-UHFFFAOYSA-N 1 2 255.705 2.000 50 5 CEBALO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc([N+](=O)[O-])s1 ZINC000253394819 371514556 /nfs/dbraw/zinc/51/45/56/371514556.db2.gz FCCMSZHNNQVEAR-UHFFFAOYSA-N 1 2 293.352 2.221 50 5 CEBALO C[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000020167788 171041084 /nfs/dbraw/zinc/04/10/84/171041084.db2.gz FCYJLRKXYVYLEN-RYUDHWBXSA-N 1 2 280.324 2.083 50 5 CEBALO CC[N@H+](CC(=O)NCC(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087781 174188018 /nfs/dbraw/zinc/18/80/18/174188018.db2.gz AFXLMINGSKFPTK-UHFFFAOYSA-N 1 2 293.367 2.189 50 5 CEBALO CC[N@@H+](CC(=O)NCC(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087781 174188021 /nfs/dbraw/zinc/18/80/21/174188021.db2.gz AFXLMINGSKFPTK-UHFFFAOYSA-N 1 2 293.367 2.189 50 5 CEBALO CC(C)(C)N1C[N@@H+](C(C)(C)C)CC(C)([N+](=O)[O-])C1 ZINC000019327455 278347041 /nfs/dbraw/zinc/34/70/41/278347041.db2.gz XBARHICQDZOTFX-UHFFFAOYSA-N 1 2 257.378 2.194 50 5 CEBALO CC(C)(C)N1C[N@H+](C(C)(C)C)CC(C)([N+](=O)[O-])C1 ZINC000019327455 278347042 /nfs/dbraw/zinc/34/70/42/278347042.db2.gz XBARHICQDZOTFX-UHFFFAOYSA-N 1 2 257.378 2.194 50 5 CEBALO CC[N@H+](CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057322891 362577948 /nfs/dbraw/zinc/57/79/48/362577948.db2.gz IXSXZLFMNRJNDJ-UHFFFAOYSA-N 1 2 293.367 2.331 50 5 CEBALO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057322891 362577951 /nfs/dbraw/zinc/57/79/51/362577951.db2.gz IXSXZLFMNRJNDJ-UHFFFAOYSA-N 1 2 293.367 2.331 50 5 CEBALO CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000029885915 361692505 /nfs/dbraw/zinc/69/25/05/361692505.db2.gz LTLFFQKATSKNTL-UHFFFAOYSA-N 1 2 291.307 2.192 50 5 CEBALO O=C(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006753615 170240876 /nfs/dbraw/zinc/24/08/76/170240876.db2.gz TWENPZGOYZMQSG-UHFFFAOYSA-N 1 2 283.715 2.283 50 5 CEBALO COc1cc(C[NH2+]Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000069530767 362977516 /nfs/dbraw/zinc/97/75/16/362977516.db2.gz OLURJGRHSDLANW-UHFFFAOYSA-N 1 2 292.291 2.495 50 5 CEBALO O=C(NCCCn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000024690673 361612517 /nfs/dbraw/zinc/61/25/17/361612517.db2.gz QRHJITYPWCCPMX-UHFFFAOYSA-N 1 2 289.295 2.003 50 5 CEBALO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000074741553 363380168 /nfs/dbraw/zinc/38/01/68/363380168.db2.gz QIKVPLZODWMLKQ-JTQLQIEISA-N 1 2 275.312 2.243 50 5 CEBALO CNc1ccc(Nc2nccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000089701883 363993660 /nfs/dbraw/zinc/99/36/60/363993660.db2.gz RENQWKRKGUWVCC-UHFFFAOYSA-N 1 2 259.269 2.479 50 5 CEBALO COc1cc(C[NH+]2CCCCC2)cc([N+](=O)[O-])c1O ZINC000004989056 170050114 /nfs/dbraw/zinc/05/01/14/170050114.db2.gz GJHOYSJKMZUICX-UHFFFAOYSA-N 1 2 266.297 2.295 50 5 CEBALO CCc1cc(NCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000071185911 176059844 /nfs/dbraw/zinc/05/98/44/176059844.db2.gz SGAHFJYDGKYLLE-UHFFFAOYSA-N 1 2 288.307 2.018 50 5 CEBALO O=[N+]([O-])c1cccnc1NCc1cn2ccccc2[nH+]1 ZINC000023652476 361602410 /nfs/dbraw/zinc/60/24/10/361602410.db2.gz GBRLSCHWAGASKR-UHFFFAOYSA-N 1 2 269.264 2.250 50 5 CEBALO Cc1ccc([N+](=O)[O-])c(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020652740 171268717 /nfs/dbraw/zinc/26/87/17/171268717.db2.gz GSXTXISIEHKLME-CHWSQXEVSA-N 1 2 294.351 2.391 50 5 CEBALO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000016514120 288214464 /nfs/dbraw/zinc/21/44/64/288214464.db2.gz GGHVLSZFXJPAPS-PHIMTYICSA-N 1 2 250.298 2.204 50 5 CEBALO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000016514120 288214465 /nfs/dbraw/zinc/21/44/65/288214465.db2.gz GGHVLSZFXJPAPS-PHIMTYICSA-N 1 2 250.298 2.204 50 5 CEBALO Cc1[nH]c(CNc2nccc(C)c2[N+](=O)[O-])[nH+]c1C ZINC000952963905 815080488 /nfs/dbraw/zinc/08/04/88/815080488.db2.gz NFWRIOQGRGMELS-UHFFFAOYSA-N 1 2 261.285 2.250 50 5 CEBALO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000141322420 187910023 /nfs/dbraw/zinc/91/00/23/187910023.db2.gz CESFTCJCUQJNOD-MRVPVSSYSA-N 1 2 275.268 2.201 50 5 CEBALO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000141322236 366566386 /nfs/dbraw/zinc/56/63/86/366566386.db2.gz CESFTCJCUQJNOD-QMMMGPOBSA-N 1 2 275.268 2.201 50 5 CEBALO Cc1[nH]c[nH+]c1Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000225597189 370306600 /nfs/dbraw/zinc/30/66/00/370306600.db2.gz XYOVYIIEIRCJMK-UHFFFAOYSA-N 1 2 285.263 2.267 50 5 CEBALO Cc1[nH+]c[nH]c1Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000225597189 370306604 /nfs/dbraw/zinc/30/66/04/370306604.db2.gz XYOVYIIEIRCJMK-UHFFFAOYSA-N 1 2 285.263 2.267 50 5 CEBALO C[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000020167782 171040628 /nfs/dbraw/zinc/04/06/28/171040628.db2.gz FCYJLRKXYVYLEN-VXGBXAGGSA-N 1 2 280.324 2.083 50 5 CEBALO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1cc[nH+]c1 ZINC000049067127 362330722 /nfs/dbraw/zinc/33/07/22/362330722.db2.gz JLVBSLCQRDIIQA-UHFFFAOYSA-N 1 2 274.280 2.129 50 5 CEBALO O=[N+]([O-])c1cc(C[NH+]2CCC(O)CC2)ccc1Cl ZINC000000239514 361150400 /nfs/dbraw/zinc/15/04/00/361150400.db2.gz XRMBICQCVHCFTM-UHFFFAOYSA-N 1 2 270.716 2.205 50 5 CEBALO C[C@@H](Cn1cc[nH+]c1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000042375593 394504079 /nfs/dbraw/zinc/50/40/79/394504079.db2.gz VWHIGCJUWLKVAE-QMMMGPOBSA-N 1 2 292.324 2.001 50 5 CEBALO CC(=O)c1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000408518698 395301243 /nfs/dbraw/zinc/30/12/43/395301243.db2.gz VOFWZESULULSDB-UHFFFAOYSA-N 1 2 286.291 2.083 50 5 CEBALO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc[nH]n2)C2CC2)c1 ZINC000154299651 188133868 /nfs/dbraw/zinc/13/38/68/188133868.db2.gz VWECHHZWEVHYHX-UHFFFAOYSA-N 1 2 272.308 2.483 50 5 CEBALO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc[nH]n2)C2CC2)c1 ZINC000154299651 188133869 /nfs/dbraw/zinc/13/38/69/188133869.db2.gz VWECHHZWEVHYHX-UHFFFAOYSA-N 1 2 272.308 2.483 50 5 CEBALO C[C@H]1C[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000023990696 361604868 /nfs/dbraw/zinc/60/48/68/361604868.db2.gz UJMFGTWEISVSRM-QWRGUYRKSA-N 1 2 290.323 2.011 50 5 CEBALO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083444151 344077593 /nfs/dbraw/zinc/07/75/93/344077593.db2.gz HSLQGRPLGDUDJE-UHFFFAOYSA-N 1 2 287.323 2.093 50 5 CEBALO Cc1ccc([N+](=O)[O-])c(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488947 260098986 /nfs/dbraw/zinc/09/89/86/260098986.db2.gz GSXTXISIEHKLME-BETUJISGSA-N 1 2 294.351 2.391 50 5 CEBALO Cc1ccc([N+](=O)[O-])c(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016488947 260098988 /nfs/dbraw/zinc/09/89/88/260098988.db2.gz GSXTXISIEHKLME-BETUJISGSA-N 1 2 294.351 2.391 50 5 CEBALO Cc1ccc(CCNc2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000071902751 176294564 /nfs/dbraw/zinc/29/45/64/176294564.db2.gz XVFQNWJFVMQLPS-UHFFFAOYSA-N 1 2 258.281 2.348 50 5 CEBALO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000016662097 361495468 /nfs/dbraw/zinc/49/54/68/361495468.db2.gz PDCWUKWDEMRFTJ-PHIMTYICSA-N 1 2 250.298 2.204 50 5 CEBALO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000016662097 361495475 /nfs/dbraw/zinc/49/54/75/361495475.db2.gz PDCWUKWDEMRFTJ-PHIMTYICSA-N 1 2 250.298 2.204 50 5 CEBALO CCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346605 361639019 /nfs/dbraw/zinc/63/90/19/361639019.db2.gz CWOMEDWAHWSMNN-LBPRGKRZSA-N 1 2 293.367 2.331 50 5 CEBALO CCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346605 361639023 /nfs/dbraw/zinc/63/90/23/361639023.db2.gz CWOMEDWAHWSMNN-LBPRGKRZSA-N 1 2 293.367 2.331 50 5 CEBALO Cc1nn(Cc2cn3cc(C)ccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000008134313 170320524 /nfs/dbraw/zinc/32/05/24/170320524.db2.gz BYQMKOHSECVCSP-UHFFFAOYSA-N 1 2 285.307 2.413 50 5 CEBALO CC1(C)COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000064247803 343687216 /nfs/dbraw/zinc/68/72/16/343687216.db2.gz AGDWDQQTJCUOFX-UHFFFAOYSA-N 1 2 280.324 2.084 50 5 CEBALO CC1(C)COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000064247803 343687218 /nfs/dbraw/zinc/68/72/18/343687218.db2.gz AGDWDQQTJCUOFX-UHFFFAOYSA-N 1 2 280.324 2.084 50 5 CEBALO CNc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)c[nH+]1 ZINC000074741431 363380310 /nfs/dbraw/zinc/38/03/10/363380310.db2.gz DWVGALAFXFDGGQ-UHFFFAOYSA-N 1 2 259.269 2.479 50 5 CEBALO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000074741550 363380337 /nfs/dbraw/zinc/38/03/37/363380337.db2.gz QIKVPLZODWMLKQ-SNVBAGLBSA-N 1 2 275.312 2.243 50 5 CEBALO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCC1 ZINC000004833330 170026048 /nfs/dbraw/zinc/02/60/48/170026048.db2.gz IFPDHMQLJBZYJD-UHFFFAOYSA-N 1 2 293.323 2.028 50 5 CEBALO CC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087766 174188166 /nfs/dbraw/zinc/18/81/66/174188166.db2.gz NBMAATJIVJTSAL-LBPRGKRZSA-N 1 2 293.367 2.331 50 5 CEBALO CC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087766 174188167 /nfs/dbraw/zinc/18/81/67/174188167.db2.gz NBMAATJIVJTSAL-LBPRGKRZSA-N 1 2 293.367 2.331 50 5 CEBALO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000019607086 361545362 /nfs/dbraw/zinc/54/53/62/361545362.db2.gz GGHVLSZFXJPAPS-QWRGUYRKSA-N 1 2 250.298 2.204 50 5 CEBALO O=[N+]([O-])c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000026123242 361635619 /nfs/dbraw/zinc/63/56/19/361635619.db2.gz CTZIGVWCYQOFHG-UHFFFAOYSA-N 1 2 277.671 2.141 50 5 CEBALO O=C(NCc1[nH]cc[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089773148 364001188 /nfs/dbraw/zinc/00/11/88/364001188.db2.gz NWPWJBXNLXEHJN-UHFFFAOYSA-N 1 2 295.686 2.293 50 5 CEBALO Nc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000170615136 367386654 /nfs/dbraw/zinc/38/66/54/367386654.db2.gz QQBQHZQUGLUZTA-UHFFFAOYSA-N 1 2 280.234 2.462 50 5 CEBALO Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000253433325 371522763 /nfs/dbraw/zinc/52/27/63/371522763.db2.gz VQAKXDUBVJCXTJ-UHFFFAOYSA-N 1 2 287.323 2.405 50 5 CEBALO Cc1cc(N2CCC(c3c[nH+]c[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000253433325 371522767 /nfs/dbraw/zinc/52/27/67/371522767.db2.gz VQAKXDUBVJCXTJ-UHFFFAOYSA-N 1 2 287.323 2.405 50 5 CEBALO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000019607083 288214629 /nfs/dbraw/zinc/21/46/29/288214629.db2.gz GGHVLSZFXJPAPS-GHMZBOCLSA-N 1 2 250.298 2.204 50 5 CEBALO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000023115138 288220318 /nfs/dbraw/zinc/22/03/18/288220318.db2.gz XIGGMEHFOAGNCY-GHMZBOCLSA-N 1 2 250.298 2.204 50 5 CEBALO O=C(C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000004118188 361301848 /nfs/dbraw/zinc/30/18/48/361301848.db2.gz MKFJZUXWIWRQSJ-UHFFFAOYSA-N 1 2 263.297 2.019 50 5 CEBALO